Los Alamos National Laboratory Laboratory Directed Research and Development Program FY24 Annual Progress Report

Summary

This report details the accomplishments, strategic portfolio structure, and impact of Los Alamos National Laboratory’s (LANL) Laboratory Directed Research and Development (LDRD) Program for Fiscal Year 2024. In FY24, the LDRD program allocated $245M across 476 high-risk, high-reward projects spanning basic research, early-career workforce development, and national security capabilities. Highlights include breakthrough discoveries in fentanyl detection, microreactor critical testing (Deimos), hyperspectral satellite imaging (NACHOS), machine-learning accelerator controls, and six R&D 100 Award-winning technologies.

Cover

Los Alamos National Laboratory Laboratory Directed Research and Development Program FY24 Annual Progress Report

[Cover Image: PHOENIX: Portable, High-efficiency, Orthovoltage ENergy, Imaging X-rays. This work, led by LANL researchers Scott Watson and Nicola Winch recently won an R&D 100 Award. The PHOENIX technology has roots in LDRD projects 20180037ER - MEXRAY (ME)chanical XRAY, PI: Scott Watson; and 20210540MFR - Megavolt Generator for Multiple-Pulse Hydrotesting, PI: Nicola Winch.]

Inside Cover - Administrative Details

Los Alamos National Laboratory is managed by Triad National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract 89233218CNA000001.

LA-UR-25-22694

Structure of this Report

FY24 Annual Report

Structure of this Report: The Laboratory Directed Research and Development (LDRD) Annual Report for fiscal year 2024 (FY24) is organized as follows:

Overview: A description of the LDRD program at Los Alamos National Laboratory (LANL), including the program’s structure and objectives; a summary of the program’s value; and highlights of outstanding program accomplishments.

The Annual Report is available at: https://www.lanl.gov/engage/organizations/nnsa-directed-r-and-d/annual-reports

On the Cover: Cover Image: PHOENIX: Portable, High-efficiency, Orthovoltage ENergy, Imaging X-rays. This work, led by LANL researchers Scott Watson and Nicola Winch recently won an R&D 100 Award. The PHOENIX technology has roots in LDRD projects 20180037ER - MEXRAY (ME)chanical XRAY, PI: Scott Watson; and 20210540MFR - Megavolt Generator for Multiple-Pulse Hydrotesting, PI: Nicola Winch. Learn more about PHOENIX by watching this video. Photo Credit: LANL

On the Inside Cover: The Los Alamos National Security Sciences Building. Photo credit: LANL

Leadership Perspectives - Laura Stonehill, LDRD Program Director

Leadership Perspectives

LAURA STONEHILL LDRD PROGRAM DIRECTOR

As I reflect on 2024, I feel a sense of pride and accomplishment in all that the LDRD Program has achieved this year, which is a testament to the hard work and dedication of the LDRD team.

The LDRD program plays a critical role in helping LANL meet our top strategic priorities. LDRD funding ensures that LANL can advance research and investment that addresses current and future challenges relevant to LANL missions.

Meeting current challenges requires flexibility and insight regarding the types of projects LDRD funds. In FY24, we made a significant change to our overall funding profile by expanding our Director’s Initiatives (DI) portfolio. The intentional increase in both the number of DI projects funded and the amount of funding directed to the DI portfolio provides increased institutional support to Signature Institutional Commitments and other near-term priorities found within the 2024 Laboratory Agenda.

The LDRD program is funded with 5-6 percent of the Laboratory’s operating budget. Projects funded by LDRD have led to prestigious awards, scientific advancements, and have produced influential scientific papers. More than half of the patents issued to LANL this year are rooted in LDRD work. Additionally, six projects with LDRD roots received 2024 R&D 100 awards, which recognize the projects as important and creative innovations in research. These outcomes are confirmation that the LDRD program yields well over its share of scientific advancements and achievements.

As I look to the future, I’m excited to see where the LDRD Program will go next. FY25 brings leadership changes to LDRD as I transition to another role at the Laboratory and Jacob Waltz takes the helm as Acting LDRD Program Director. Jacob has been with the LDRD Program for three years now as Deputy Program Director and will continue to serve the program well in his new role. It’s been a privilege to be a part of this team, and I have every confidence that the program will continue to thrive and grow. I’m excited to see the important contributions that the LDRD Program will make in the years ahead.

Leadership Perspectives - Jacob Waltz, Acting LDRD Program Director

Leadership Perspectives

JACOB WALTZ ACTING LDRD PROGRAM DIRECTOR

The LDRD Program is a significant resource for Los Alamos National Laboratory and I can’t help but be impressed by the quality and breadth of groundbreaking scientific research and discovery made possible each year through LDRD.

LDRD has made innovative contributions to every facet of national security including improvements in energy security, and advances in the Nation’s ability to protect both cyber and space assets.

The U.S. Department of Energy (DOE) has charged the LDRD Programs at all DOE Laboratories with supporting high-risk, potentially high-value research. Last year the LDRD Programs at Lawrence Livermore, Los Alamos, and Sandia National Laboratories came together to release an Interlaboratory Proposal Call that provided a structured and supported path for interlaboratory collaborations on shared national strategic goals. Due to the overwhelming success of that first call, this year the collaboration was expanded to include Idaho National Laboratory, the Nevada National Security Sites, and Pacific Northwest National Laboratory. A multi-Lab call was released in July and 127 collaborative Letters of Intent were received. Following a rigorous peer review, seven projects involving multiple Laboratories were selected for funding.

The LDRD program continues to provide an important vehicle for attracting promising new staff to the Laboratory through the funding of cutting-edge research opportunities. In FY24, 65% of the Postdoctoral Researchers at the Laboratory were supported by LDRD. Additionally, 392 students worked 40 or more hours on LDRD projects. The quality of new and creative ideas these young researchers bring to the Laboratory through LDRD funded research is a significant asset to both LDRD and the Lab.

This FY24 Annual Report provides an overview of the exciting new research funded by our LDRD program. In this report you will find program highlights, impact stories, and recent accomplishments of LANL’s talented research and development staff.

Table of Contents

Table of Contents

I. Leadership Perspectives … 1 II. Program Description … 4 LDRD Directives, Objectives, and Strategic Challenges … 4 Capability Pillar Investment … 5 a. LANL’s LDRD Program Structure … 6 Overview … 6 Directed Research … 8 Exploratory Research … 9 Director’s Initiatives … 11 Mission Foundations Research … 12 Early Career Research … 13 Postdoctoral Research and Development … 14 Centers Research … 15 Reserve Funding … 16 III. Program Value … 17 a. Performance Indicators: LDRD at LANL … 18 Intellectual Property … 18 Broad Intellectual Engagement … 20 b. Mission Relevance … 21 c. Science and Engineering Talent Pipeline … 22 d. The Long-term Impacts of LDRD Investments … 25 e. Science and Engineering Talent Pipeline … 26 IV. LDRD Program Accomplishments … 34 Top Science and Engineering in the News … 34 LDRD Long-Term Impact Stories … 40

Program Description - LDRD Directives, Objectives, and Strategic Challenges

Program Description LDRD DIRECTIVES, OBJECTIVES, AND STRATEGIC CHALLENGES

Laboratory Directed Research and Development (LDRD) helps Los Alamos National Laboratory solve national security challenges through excellence in mission-focused science, technology, and engineering (ST&E). The Department of Energy (DOE) Laboratory and Site-Directed Research and Development programs are among the most impactful sources of research and development for our Nation. The heart of the LDRD program is high-risk, high-reward research that creates innovative technical solutions for some of the Nation’s most difficult challenges. The LDRD programs follow strategic guidance derived from the missions of the U.S. Department of Energy, the National Nuclear Security Administration (NNSA), and the Laboratory.

To execute that strategy, the Los Alamos LDRD program creates a free market for ideas, drawing upon the creativity of the Laboratory’s best and brightest researchers. The combination of strategic guidance and grassroots competition provides a continual stream of capabilities that position the Laboratory to enable agile responses to national security challenges.

Funded with five to six percent of the Laboratory’s operating budget, the LDRD program makes it possible for our scientists and engineers to pursue cutting-edge research and development in support of mission. This in turn helps the Laboratory, and the Nation, maintain its position of scientific and technological leadership.

LDRD objectives guide the overall program and align with DOE Order 413.2C Chg1. The LDRD program has three objectives: Technical Vitality, Mission Agility, and Workforce Development.

• Technical Vitality: Advance the frontiers of science, technology, and engineering.
• Mission Agility: Enable agile responses to national security challenges.
• Workforce Development: Attract, develop, and retain tomorrow’s technical workforce.

Program Description - Strategic Challenges & Capability Pillar Investment

The LDRD program responds to four national security challenges. This report will illustrate the Los Alamos LDRD program’s successes in responding to the LDRD objectives and the national security challenges listed below:

1. Provide an agile, flexible, and effective nuclear deterrent.
2. Protect against all weapons of mass destruction threats.
3. Deter and defend against threats in multiple domains.
4. Strengthen our energy and environmental national security.

CAPABILITY PILLAR INVESTMENT LDRD supports Laboratory strategy through our alignment with the Laboratory’s Capability Pillars. These six Pillars define strategic investment areas at Los Alamos for present and future missions. All LDRD investments support one or more Capability Pillars:

• Information Science and Technology (IS&T)
• Materials for the Future (MAT)
• Nuclear and Particle Futures (NPF)
• Science of Signatures (SoS)
• Weapons Systems (WS)
• Complex Natural and Engineered Systems (CNES)

Program Structure - Overview

Program Structure OVERVIEW

The Los Alamos LDRD program is organized into seven components with distinct institutional objectives: • Directed Research (DR): flagship investments that create multidisciplinary solutions to complex problems defined by Lab strategy. • Exploratory Research (ER): innovate at the frontiers of technical disciplines. • Director’s Initiatives (DI): invest in the Lab Agenda with the rigor and creativity of LDRD. • Mission Foundations Research (MFR): translate discovery into novel mission solutions. • Early Career Research (ECR): develop next-generation technical leaders. • Postdoctoral Research and Development (PRD): attract and recruit top-quality talent into the Lab’s pipeline. • Centers Research (CR): incubate emerging ideas and talent in areas defined by the Lab’s Strategic Centers.

Time Horizon for Impact vs Management Direction:

• Highly Directed by Upper Management: DI (1-5 years), DR (3-10+ years), MFR (1-3 years)
• Minimally Directed by Upper Management: CR (1-15 years), ECR (2-10 years), PRD (2-10 years), ER (5-15 years)

The amount of investment in each component is intentionally planned to balance the overall LDRD portfolio in both the time horizon for impact from LDRD projects and the amount of direction from Laboratory management that is involved in the selection of projects. All seven components are discussed in further detail in this report.

Program Structure - FY24 Budget Allocation & Portfolio by Component

In FY24, the LDRD program allocated $245Mto476projectsthatincurredtotalcostsof$233M. These projects were selected through rigorous and highly competitive peer review processes and are reviewed formally and informally throughout the fiscal year.

Funds were intentionally distributed across the seven LDRD components. The breakdown of the total FY24 LDRD budget invested in each component is:

• Directed Research (DR): 44%
• Exploratory Research (ER): 25%
• Director’s Initiatives (DI): 14%
• Mission Foundations (MFR): 4%
• Centers Research (CR): 4%
• Early Career Research (ECR): 4%
• Postdoctoral R&D (PRD): 4%

Program Structure - Directed Research (DR)

DIRECTED RESEARCH: CREATE MULTIDISCIPLINARY SOLUTIONS TO COMPLEX PROBLEMS DEFINED BY LABORATORY STRATEGY

In FY24, LDRD funded 59 Directed Research (DR) projects, investing $103.6M, which represents 44% of the program’s research funds.

DR projects are aligned to key competency or technology-development areas vital to LDRD’s long-term ability to enable the Lab to execute its missions. Funding for individual DR projects is approximately $2M per year for three years.

The annual planning for DR directly ties to the Laboratory’s Capability Pillars. This planning is communicated through the Strategic Investment Plan (SIP) which is published annually. Laboratory leadership provides strategic guidance to SIP Development Teams associated with each Pillar. The teams then engage with Laboratory staff to identify investment priorities for the upcoming fiscal year that are consistent with and supportive of the long-term Pillar strategy. Priorities may include not just strategic capabilities, but also mission challenges requiring new and innovative approaches.

Directed Research in Action: Optoelectronic systems, such as laser diodes, are poised to play a crucial role in the United States. However, for these systems to be viable, it is critical to understand and mitigate the damaging effects of ionizing radiation. While these components are readily available, off-the-shelf commercial systems, they are extremely challenging to study due to both the inherent complexity of these systems as well as the proprietary nature of the composition. These considerations make understanding the fundamental interaction between ionizing radiation and device performance essentially impossible.

The goal of this project is to simplify the problem by making, measuring, and modeling a simplified, yet functional, laser system with the ultimate goal of developing the capability to predict the performance of semiconductor injection lasers upon exposure to radiation and to enable the development of radiation-hard optoelectronic devices.

PI: Blas Uberuaga LDRD project: 20240033DR M3ONARCH: Making, Measuring, and Modeling Optoelectronics for Next-generation Applied Radiation-hard Components and Hardware

Program Structure - Exploratory Research (ER)

EXPLORATORY RESEARCH: INNOVATE AT THE FRONTIERS OF TECHNICAL DISCIPLINES

In FY24, LDRD funded 201 Exploratory Research (ER) projects, investing $59.2M which represents 25% of the program’s research funds.

The ER component is the most important channel for purely bottom-up creativity at the Laboratory. Initiated by technical staff from across the Laboratory, ER projects explore highly innovative ideas in 10 Technical Categories that underpin Laboratory missions. Funding for individual ER projects is approximately $350K per year for three years.

Exploratory Research also funds ER Seedlings and ER Interlaboratory projects. ER Seedlings projects are funded for 12 months at approximately $150K per project and are intended to address the most untested, high-risk aspects of a new idea. Interlaboratory projects are funded for two and a half years and offer a structured and supported path for multi-Laboratory collaborations on key shared national strategic goals. Funding levels vary for Interlaboratory projects.

Exploratory Research in Action: Lightning is a fundamental background in the Nation’s nuclear detonation detection missions. Understanding its signatures is critically important for reliable detonation identification. This project supports directly the current nuclear detection missions.

The project is focused on understanding the fundamental physics of lightning initiation with unique and advanced 3-dimensional radio frequency source mapping, polarization measurement, and radiation beam-pattern reconstruction, together with an array of gamma-ray detectors. In addition to the main research goal, a number of new understandings of other lightning discharge processes are envisioned.

The results of this project will have a substantial impact on the Nation’s next generation nuclear detection missions, especially on the space-based nuclear electromagnetic pulse (EMP) detection.

PI: Xuan-Min Shao LDRD Project: 20230223ER The Genesis of Lightning Flash

Program Structure - Exploratory Research Seedlings & Interlaboratory Research

Exploratory Research Seedlings in Action: Touch DNA (Deoxyribonucleic Acid) evidence is becoming increasingly relevant for forensic applications, but due to limitations in collection techniques the approach is still highly speculative and unreliable for standard investigations. The primary goal of this Seedlings project led by researcher Ann Junghans is to understand and improve DNA (Deoxyribonucleic Acid) removal, both in terms of quantity and quality, as compared to traditional techniques. If successful, this work could make it possible to identify an individual by the DNA left in a single fingerprint. PI: Ann Junghans LDRD Project: 20240794ER Collecting Touch DNA- A Fingerprint is all it takes

Interlaboratory Research in Action: This collaborative, multi-lab project involving Los Alamos, Lawrence Livermore, and Sandia National Laboratories is using tensor network discretizations to enable next-generation simulation capabilities on next-generation supercomputing architectures to enable robust predictive capabilities for next-generation pulsed power high energy density science. The overarching goals of the project are to address the deficiencies of current pulsed power modeling capabilities by significantly increasing the model and simulation fidelity and extensibility available to designers. LANL PI: Boian Alexandrov LLNL PI: Pierson Guthrey Sandia PI: Nathan Roberts Project: 20240705ER Predictive Ultrafast Low-Rank Simulations via Embedded Tensor Networks

Program Structure - Director’s Initiatives (DI)

DIRECTOR’S INITIATIVE: INVEST IN THE LABORATORY AGENDA WITH THE RIGOR AND CREATIVITY OF LDRD

In FY24, LDRD funded 28 Director’s Initiative (DI) projects, investing $32.8M which represents 14% of the program’s research funds.

LDRD DI projects tie directly to Signature Institutional Commitments and critical outcomes within the Laboratory Agenda. The senior Laboratory leaders (typically Associate Laboratory Directors) responsible for the Laboratory Agenda work with the LDRD Program Office and the Deputy Director for Science, Technology, and Engineering to identify strategic growth areas and potential projects. Proposals are held to the same standards of peer review as other LDRD investment components.

Associate Laboratory Directors (ALDs) typically begin planning before the start of the FY, communicating their project priorities to the LDRD Program Office. The LDRD Office follows with requests for individual proposals and peer review. Most initiatives for the year are in place by January. The duration of Director’s Initiatives is between nine months and three years.

Director’s Initiative Research in Action: High performance computing (HPC) has the potential of being an unprecedented resource for AI/ML at DOE. This includes the ability to generate huge amounts of training data using traditional modeling and simulation. This project focused on the development and demonstration of Artificial Intelligence (AI) and Machine Learning (ML) tools that specifically scale to current and future LANL High Performance Computing (HPC) systems. The tools are necessary for enabling computational breakthroughs critical to advance a diverse range of problems in the space of Los Alamos National Laboratory’s missions in science, energy, and security. The project was able to successfully advance software tools and contributed to a more efficient algorithmic exploration, allowing the ability to dedicate more time to improving methods and less time tuning to particular hardware resources. PI: Aric Hagberg LDRD Project: 20230771DI High-Performance Artificial Intelligence

Program Structure - Mission Foundations Research (MFR)

MISSION FOUNDATIONS RESEARCH: TRANSLATE DISCOVERY INTO NOVEL MISSION SOLUTIONS

In FY24, LDRD funded 28 Mission Foundations Research (MFR) projects, investing $9.5M which represents 4% of the program’s research funds.

MFR is an intentional investment in applied science and engineering relevant to national security missions and addresses mission needs in the technology readiness level (TRL) 3-5 regime. Proposals must respond to “mission problem statements” reflective of mission needs across the Laboratory and are subject to rigorous peer review that assesses alignment with the LDRD program objectives – Technical Vitality, Mission Agility, and Workforce Development. Individual projects are funded at $500K-$665K per year, with projects running 1-2 years in length.

Mission Foundations Research in Action: Researcher Michael Pettes recently led an MFR project that was focused on solving big data characterization methods to make the use of fast electron detectors more practical. Pettes and his team developed an uncertainty-based four-dimensional scanning transmission electron microscopy (4D STEM) capability. This capability allows for real-time data analyses of crystallographic orientation and strain at the nanoscale to thereby understand key fundamental science questions in actinide research. The team further enhanced the technology by adding a new multi-beam electron diffraction capability to enable three-dimensional nanoscale characterization of crystal orientation and strain, a first of its kind. PI: Michael Pettes LDRD Project: 20220485MFR Coupling Multiple Patterned Electron Probes for Real Time Orientation, Lattice Parameter, and Strain Mapping at the Nanoscale

Additional LDRD projects that contributed to the ACS NANO article: • 20230014DR Discovering Quantum Anomalies Through Strain (PI: Michael Pettes) • 20190516ECR Electronic Transport in Atomically Thin Materials at Far from Mechanical Equilibrium Conditions (PI: Michael Pettes)

Program Structure - Early Career Research (ECR)

EARLY CAREER RESEARCH: DEVELOP NEXT-GENERATION TECHNICAL LEADERS

In FY24, LDRD funded 53 Early Career Research (ECR) projects, investing $8.6M, which represents 4% of the program’s research funds.

The ECR component of the LDRD program is designed to strengthen the Laboratory’s scientific workforce by providing support to exceptional staff members during their crucial early career years. The intent is to support the development of early career researchers, aiding in the transition from postdoc or student to full-time staff member, and to stimulate research in disciplines supported by the LDRD program. ECR projects are individually funded up to $240K per year for two years. Early Career Research PIs must have received their highest degree within the last ten years and been hired as a Laboratory technical staff member no more than three years prior to the call.

Early Career Research in Action: Epigenetic processes are the gatekeepers of the genome: they control the accessibility of genetic information and how a cell responds to its environment. Research has shown that epigenetic processes play a significant role in disease progression, including cancer and mental health disorders. If one can control epigenetic processes in an organism, one can control the behavior of the organism, including its physiology. Researcher Christina Steadman led an ECR project that created a combinatorial toolkit for epigenetic manipulation of behavior. The project team built a novel computational pipeline and software package to predict epigenetic processes in microalgae. Predictions were validated via high-throughput screening (HTS) assays we developed for DNA methylation (using Nanopore sequencing) and histone modifications (using high-resolution mass spectrometry). The team was then able to successfully manipulate epigenetic processes in microalgae. PI: Christina Steadman LDRD Project: 20220621ECR Prediction and Manipulation of Epigenetic Processes for Enhanced Behavior

Program Structure - Postdoctoral Research and Development (PRD)

POSTDOCTORAL RESEARCH AND DEVELOPMENT: ATTRACT AND RECRUIT TOP-QUALITY TALENT INTO THE LAB’S PIPELINE

In FY24, LDRD funded 97 Postdoctoral Research and Development (PRD) projects, investing $8.9M, which represents 4% of the program’s research funds.

The PRD component of the LDRD program ensures the vitality of the Laboratory by recruiting early career researchers. Through this component, LDRD funds Postdoctoral Fellows to work under the mentorship of PIs on highly innovative projects. Postdoctoral projects are individually funded up to $200K per year for 2-3 years. The review and selection processes are conducted under by the Los Alamos National Laboratory Postdoc Program Office.

PRD projects are funded under two appointment types: • Director’s Postdoctoral Fellows - Funding for this appointment type follows a stepped approach: 100% (year 1), 66% (year 2), and 33% (year 3, if the project is extended for a third year). The intent is to encourage the Fellow to engage in programmatic work as their postdoctoral appointment progresses. This familiarity often leads to long-term Lab career opportunities. • Distinguished Postdoctoral Fellows - These PRD Fellows receive full-time support at a highly competitive salary for three years. Full-time support allows the Distinguished Fellows considerable freedom to pursue their own ideas.

Postdoctoral Research in Action: Researchers Mark Zammit and Isuru Ariyarathna are leading a project that is focused on opacity calculations of small molecules as well as performing highly accurate multi-reference quantum chemistry calculations of iron hydride (FeH) and other molecules of importance. Ariyarthna recently shared some of the recent findings from this work in this cover article that explores the use of experimental spectroscopic studies and computational explorations to gain insight into the electronic structures of molecules and predicting their reactivities. PI: Mark Zammit Postdoctoral Researcher: Isuru Ariyarathna LDRD project: 20240737PRD1 Development of Molecular Opacities and Beyond

Program Structure - Centers Research (CR)

CENTERS RESEARCH: INCUBATE EMERGING IDEAS AND TALENT IN AREAS DEFINED BY THE LAB’S STRATEGIC CENTERS

In FY24, LDRD funded 10 Centers Research (CR) projects, investing $10.1M, which represents 4% of the program’s research funds.

To infuse new ideas and people into the Laboratory, LDRD has made a commitment to partner with the Lab’s “Strategic Centers.” The CR component is focused on developing the Nation’s next-generation workforce and leadership talent and serving as an incubator for the introduction of emerging science, technology, and engineering (ST&E) into Laboratory missions. CR projects are typically funded up to three years and single-year per project funding ranges from approximately $500K-$1,900K.

Centers Research in Action: Quantum computers are still a nascent technology, but researchers are busy building complex machine learning algorithms to test the capabilities of quantum learning. Sometimes, however, their algorithms hit a mysterious dead end; a mathematical path from which there is no way forward or backward — the dreaded barren plateau. Barren plateaus were a little-understood but common problem in quantum algorithm development. Sometimes, after months of work, researchers would run their algorithm and it would unexpectedly fail. Scientists had developed theories as to why barren plateaus exist and had even adopted sets of practices to avoid them. But no one knew the underlying cause of this mathematical equivalent of a dead end. Los Alamos researchers developed an equation that was able to predict barren plateaus in any quantum optimization algorithm. Even more, their equation uncovered new sources of barren plateaus. What the researchers discovered is that specialization, rather than generalization, is the key to avoiding barren plateaus. This breakthrough allows scientists to understand and unify all known sources of barren plateaus, and thus avoid them as they build their algorithms. This research represents the first time anyone has successfully developed a unified, mathematical approach to identifying barren plateaus. The results will have a far-reaching impact in the field of quantum computing, which has rapidly developed in recent years. This work was led in part by Martin Larocca on LDRD Center’s project 20220546CR and by researcher Marco Cerezo on LDRD projects 20230049DR and 20230527ECR.

Program Structure - Reserve Funding

RESERVE FUNDING

Not all of the LDRD budget is allocated to individual projects at the beginning of the fiscal year. The LDRD program employs Reserve funding for strategic initiatives to facilitate institutional agility when addressing time-urgent, national security challenges.

When investing these Reserve funds, LDRD will typically turn to the Associate Laboratory Directors for guidance and priorities. Reserve proposals are held to the same peer review standards as the annual calls. During FY24, a total of $3.5M in Reserve funds were invested, with some funds added to existing projects and the remainder used to start new projects during the year. A total of eight projects received Reserve funding in FY24.

Reserve Funding in Action: The corrosion of reactive metals, including uranium, is a persistent problem for their safe handling, reliable usage, and long-term storage. Since the corrosion starts near material surfaces, coating them with impermeable, chemically inert, thermodynamically stable, and atomically thin two-dimensional (2D) materials, such as graphene, can be a promising robust approach to prevent environmental degradation, without compromising their nuclear performance. However, radiation damage effects on structural integrity of the 2D coating impose a unique challenge to actinides due to their persistent self-irradiation. Potential corrosion-irradiation synergy may further impact the long-term efficacy of the 2D coating protection applied to actinide surfaces. This project led by researcher Yongqiang Wang resulted in successful demonstrations of the anti-corrosion performance of 2D coating technology on depleted uranium against corrosive gas and its tolerance to self-irradiation damage in decadal time scale. The results position LANL as the pioneer and leader in applying state-of-the-art material and technology in improving the reliability and reducing the cost in stockpile stewardship. PI: Yongqiang Wang LDRD Project: 20240473DR Two-Dimensional (2D) Graphene as Corrosion Protection Barrier for Uranium

Program Value & FY24 Key Performance Indicators

Program Value

Congress established the LDRD program at the DOE National Laboratories in 1991 to foster excellence in ST&E and to ensure the Laboratories are technically vital and prepared to meet today’s needs and tomorrow’s challenges.

LDRD supports high-risk, potentially high-payoff research and development, serving as a key resource for addressing the ST&E goals of the Laboratory. Through careful investment of LDRD funds, the Laboratory builds its reputation, recruits and retains excellent scientists and engineers, and prepares to meet evolving national needs.

FY24 KEY PERFORMANCE INDICATORS: • Total LDRD Program Cost: $233M (5.72% of LDRD-eligible LANL budget) • Total Number of LDRD Projects: 476 • New LDRD Projects in 2024: 193 • Publications: 36% (705 of 1938 unclassified publications at LANL attributed to LDRD) • Publication Citations: 38% (2016 of 5254 citations of unclassified publications at LANL attributed to LDRD) • Postdocs: 65% (471 of 728 Postdocs at LANL supported by LDRD) • Postdoc Conversions: 55% (56 of 101 Postdoc conversions at LANL involved LDRD supported Postdocs) • Patents: 54% (14 of 26 U.S. patents issued at LANL attributed to LDRD) • Invention Disclosures: 54% (40 of 74 invention disclosures issued at LANL attributed to LDRD) • Software Copyrights: 38% (52 of 136 U.S. software copyrights issued at LANL attributed to LDRD) • R&D 100 Awards: 75% (6 of 9 R&D 100 Awards at LANL attributed to LDRD)

Performance Indicators: Intellectual Property

Performance Indicators: LDRD at Los Alamos National Laboratory

INTELLECTUAL PROPERTY LDRD funds cutting-edge research that has a large impact on the Laboratory’s intellectual property. LDRD projects lead to a disproportionately large percentage of the patents and copyrights issued for Los Alamos research.

US Patents:

• FY20: LANL Total = 46, LDRD Supported = 19 (41%)
• FY21: LANL Total = 46, LDRD Supported = 14 (30%)
• FY22: LANL Total = 38, LDRD Supported = 19 (50%)
• FY23: LANL Total = 30, LDRD Supported = 14 (47%)
• FY24: LANL Total = 14, LDRD Supported = 26 (54%)

Software Copyrights:

• FY20: LANL Total = 119, LDRD Supported = 39 (33%)
• FY21: LANL Total = 120, LDRD Supported = 48 (40%)
• FY22: LANL Total = 115, LDRD Supported = 47 (41%)
• FY23: LANL Total = 118, LDRD Supported = 54 (46%)
• FY24: LANL Total = 136, LDRD Supported = 52 (38%)

Invention Disclosures:

• FY20: LANL Total = 115, LDRD Supported = 34 (30%)
• FY21: LANL Total = 101, LDRD Supported = 33 (33%)
• FY22: LANL Total = 73, LDRD Supported = 30 (41%)
• FY23: LANL Total = 72, LDRD Supported = 26 (36%)
• FY24: LANL Total = 74, LDRD Supported = 40 (54%)

Performance Indicators: Peer-Reviewed Publications and Citations

PEER-REVIEWED PUBLICATIONS The large volume of high-quality peer-reviewed publications produced through LDRD funded work help the Laboratory maintain a strong presence and scientific reputation in the broader scientific community.

Publications:

• FY20: LANL Publications = 1,971, LDRD Supported = 678 (34%)
• FY21: LANL Publications = 2,207, LDRD Supported = 830 (38%)
• FY22: LANL Publications = 1,929, LDRD Supported = 796 (41%)
• FY23: LANL Publications = 2,090, LDRD Supported = 755 (36%)
• FY24: LANL Publications = 1,938, LDRD Supported = 705 (36%)

Citations:

• FY20: LANL Citations = 92,855, LDRD Supported = 41,915 (45%)
• FY21: LANL Citations = 42,011, LDRD Supported = 18,338 (45%)
• FY22: LANL Citations = 28,997, LDRD Supported = 12,199 (42%)
• FY23: LANL Citations = 15,926, LDRD Supported = 6,999 (44%)
• FY24: LANL Citations = 5,253, LDRD Supported = 2,016 (38%)

Performance Indicators: Broad Intellectual Engagement

BROAD INTELLECTUAL ENGAGEMENT

External collaborations are an essential part of the research and development in LDRD. By working with other national laboratories, academia, and industry, LDRD investigators engage with experts across the Nation and around the world. Most external collaborations under LDRD are on a no-exchange-of-funds basis – collaborators use their own funding for the mutual benefit of working together and promoting scientific/engineering discovery.

In FY23 and FY24, LDRD researchers reported 2,019 external collaborations, including 1,623 collaborations with US scientists and engineers and 396 with foreign collaborators. Collaborations within the United States took place in all 50 states. California had the highest number of reported collaborations at 289.

U.S. collaborations were reported with 317 different organizations. Top collaborating organizations (>25 collaborations) include:

• University of California
• Sandia National Laboratories
• University of New Mexico
• Texas A&M University
• Lawrence Livermore National Laboratory
• Oak Ridge National Laboratory
• Argonne National Laboratory
• Massachusetts Institute of Technology
• University of Texas
• Lawrence Berkeley National Laboratory
• Brookhaven National Laboratory

Performance Indicators: Mission Relevance

MISSION RELEVANCE

Mission relevance is one of the most important criteria in the evaluation of the LDRD program, as well as a potential LDRD project. It is carefully considered in project selection and tracked annually through the data sheet process. Many of the technologies that put Los Alamos on the map have deep roots in LDRD and are valuable to DOE and NNSA mission areas of nuclear security, energy security, environmental remediation, and scientific discovery and innovation.

LDRD work also benefits the national security missions of the Department of Homeland Security, the Department of Defense, and other Federal agencies. As a result, the ST&E innovations from LDRD provide multiple benefits to all Los Alamos stakeholders, consistent with Congressional intent and the Laboratory’s technical strategy.

Mission Impact Areas of the FY24 LDRD Portfolio ($M):

• Accelerators
• Intelligence and Emerging Threats
• Nuclear Counterterrorism and Counterproliferation
• Nuclear Nonproliferation and Security
• National Security and Defence
• Department of Homeland Security
• Applied Energy
• Civilian Nuclear Programs
• Office of Science
• Advanced Simulation and Computing
• Engineering and Technical Maturation
• Office of Experimental Sciences
• Pit Production

Los Alamos LDRD projects are required to address one or more mission areas. Investment in one project often contributes to and impacts multiple missions. The result is that the sum of the total LDRD investment in the relevant mission impact areas is far greater than the annual LDRD budget.

Performance Indicators: Science and Engineering Talent Pipeline

SCIENCE AND ENGINEERING TALENT PIPELINE

The innovative research and development that LDRD provides is an important vehicle for recruiting the brightest researchers to Los Alamos National Laboratory, where they become technical innovators and leaders. LDRD is also instrumental in retaining new talent from the student and postdoc pool at the Laboratory.

Postdoctoral Researcher Support:

• FY20: Total LANL Postdocs = 655, LDRD Supported = 363 (55%)
• FY21: Total LANL Postdocs = 665, LDRD Supported = 391 (59%)
• FY22: Total LANL Postdocs = 652, LDRD Supported = 389 (60%)
• FY23: Total LANL Postdocs = 656, LDRD Supported = 402 (61%)
• FY24: Total LANL Postdocs = 728, LDRD Supported = 471 (65%)

Postdoctoral Researcher Conversions:

• FY20: LANL Conversions = 75, LDRD Supported = 35 (47%)
• FY21: LANL Conversions = 81, LDRD Supported = 44 (54%)
• FY22: LANL Conversions = 120, LDRD Supported = 58 (48%)
• FY23: LANL Conversions = 93, LDRD Supported = 51 (55%)
• FY24: LANL Conversions = 101, LDRD Supported = 56 (55%)

Students Supported by LDRD: In FY24, 392 students worked at least 40 hours on LDRD projects. Breakdown of student hours charged by component:

• Directed Research: 37%
• Exploratory Research: 24%
• Centers Research: 20%
• Director’s Initiatives: 8%
• Early Career Research: 6%
• Mission Foundations Research: 5%
• Postdoctoral Research and Development: <1%

Performance Indicators: Investment in Early Career Staff

LDRD Invests in Early Career Staff

LDRD plays an important role in attracting, developing, and retaining an exceptionally talented and creative workforce who are able to address some of our Nation’s most difficult challenges. The breakdown of the total hours charged to LDRD in FY24 by role:

• Postdocs: 35%
• Student: 19%
• Sci/R&D Eng 1&2: 17%
• Sci/R&D Eng 3: 15%
• Sci/R&D Eng 4: 8%
• Sci/R&D Eng 5: 5%
• Sci/R&D Eng 6: <1%
• Manager: <1%

Early Career Spotlights

EARLY CAREER SPOTLIGHTS

Two LDRD Researchers win DOE Early Career Research Program Awards: Keegan Kelly of the Physics division, and Daniel O’Malley of the Earth and Environmental Sciences division, each won a DOE Early Career Research Program award, which provides five years of funding for an R&D project relevant to an Office of Science program area of importance to basic energy sciences. • Keegan Kelly, who has led two LDRD projects (including an FY19 ECR project), will lead a DOE project focused on developing a new capability to better measure nuclear data of importance to fusion reactors and other areas of nuclear physics. • Dan O’Malley, who has led four LDRD projects (including an FY14 Postdoc project and FY20 ECR project), will lead a DOE project using quantum computing and machine learning to represent a wider range of scales in complex fracture networks.

LDRD Postdoctoral Researcher earns Outstanding Postdoc Award: Isuru Ariyarathna, a LDRD Richard Feynman Distinguished Postdoctoral Fellow in the Theoretical division, earned a Wiley Computers in Chemistry Outstanding Postdoc Award from the American Chemical Society’s Computers in Chemistry Division (COMP). Recognized for research on “How to design hyperreactive superalkalis: lessons learned from wavefunction theory and density functional theory.”

The Long-term Impacts of LDRD Investments

The Long-term Impacts of LDRD Investments

The LDRD program is an investment in the Nation’s future, ensuring mission support that is often realized after many years. This section highlights the longer-term (>5 year) impact of LDRD as a national asset.

Background: In FY20, the NNSA LDRD working group finalized common quantitative and qualitative long-term indicators. Alignment with LDRD Objectives: Illustrates long-term payoffs across Technical Vitality, Mission Agility, and Workforce Development. Importance of Qualitative Data: “Success stories” capture aspects of Mission Agility and innovation not fully captured by numerical metrics. Tracing Impact Back to LDRD: Accomplishments are determined to have “LDRD roots” if one or more LDRD projects were critical to bringing them into being.

Science and Engineering Talent Pipeline - APS Fellows

Professional Fellows (American Physical Society)

Over the past 10 years, 86% of Los Alamos National Laboratory’s APS Fellows have had LDRD experience.

Statistics (LDRD and APS Fellows):

• FY22: Total Awards = 3, Awards with LDRD Roots = 2 (67%), Avg Years from First LDRD = 14
• FY23: Total Awards = 1, Awards with LDRD Roots = 1 (100%), Avg Years from First LDRD = 10
• FY24: Total Awards = 2, Awards with LDRD Roots = 2 (100%), Avg Years from First LDRD = 25
• FY15-FY19 (5 Years): Total = 34, LDRD Roots = 30 (88%), Avg Years = 11.6
• FY20-FY24 (5 Years): Total = 15, LDRD Roots = 12 (80%), Avg Years = 15
• FY15-FY24 (10 Years): Total = 49, LDRD Roots = 42 (86%), Avg Years = 12.5

Two LANL Researchers Elected 2024 APS Fellow:

• Tanmoy Bhattacharya: Groundbreaking contributions to computational and fundamental physics, lattice QCD, computational biology, and quantum computing. LDRD work began in 1986.
• Stefano Gandolfi: Developing advanced Quantum Monte Carlo methods in nuclear physics and dense neutron star matter (Auxiliary Field Diffusion Monte Carlo method). LDRD work began in 2011.

Science and Engineering Talent Pipeline - Top 2% Laboratory Fellows

Top 2% (Laboratory Fellows)

In FY24, all seven LANL staff awarded Fellow recognition had prior experience with LDRD. Average time from first LDRD experience to being named Fellow is ~14 years.

Statistics (LDRD and Top 2% Fellows):

• FY22: Total = 9, LDRD Roots = 9 (100%), Avg Years = 17.1
• FY23: Total = 9, LDRD Roots = 9 (100%), Avg Years = 11.6
• FY24: Total = 7, LDRD Roots = 7 (100%), Avg Years = 16.8
• FY15-FY19: Total = 24, LDRD Roots = 20 (83%), Avg Years = 14.9
• FY20-FY24: Total = 36, LDRD Roots = 35 (97%), Avg Years = 14.1
• FY15-FY24: Total = 60, LDRD Roots = 55 (92%), Avg Years = 14.4

LANL Researchers Elected 2024 Fellows with LDRD Experience:

1. Cynthia Reichhardt (Theoretical division) – Condensed matter physics, phase transitions in nonequilibrium systems. First LDRD: 2007.
2. Robert Aikin (Sigma division) – Solidification science, gravity casting technologies for uranium alloys. First LDRD: 2011.
3. Luis Chacon (Theoretical division) – Computational plasma physics, fusion simulations. First LDRD: 2004.
4. Malcolm Boshier (Materials and Physics Applications division) – Founder of atomtronics, quantum technologies. First LDRD: 2003.
5. Sara Del Valle (Analytics, Intelligence and Technology division) – Infectious disease modeling, incorporating human behavior and internet data. First LDRD: 2016.
6. Rod Linn (Earth and Environmental Sciences division) – Wildland fire science, coupled wildfire/atmosphere models (FIRETEC). First LDRD: 2001.
7. Kevin Mitchell (Chemistry division) – Remote sensing, spectral data analysis, machine learning. First LDRD: 2008.

Additional LDRD Spotlights and Professional Society Honors

American Chemical Society Fellow:

• Jennifer Hollingsworth (Center for Integrated Nanotechnologies) – Discovery and development of nonblinking giant quantum dots, nanomaterials photophysics. Joined LANL in 1999 as Director’s Postdoctoral Fellow.

Electrochemical Society Award for Sustainable Energy Technology:

• Yu Seung Kim – High-temperature proton exchange membrane (HT-PEM) fuel cells, polymer electrolytes increasing power density by 60%. LDRD Co-PI in 2016.

DOE Hydrogen Program Lifetime Achievement Award:

• Piotr Zelenay – Fundamental and applied aspects of polymer electrolyte fuel cell science, electrocatalysis, and electrode kinetics. LDRD PI in 2007.

LDRD and R&D 100 Awards

R&D 100 Awards

In FY24, six of the eight R&D 100 Awards received by LANL have roots in LDRD. Of the 73 R&D 100 awards received by LANL since FY15, 45 have roots in LDRD (62%).

Statistics:

• FY22: Total Awards = 9, LDRD Roots = 6 (67%), Avg Years = 9.3
• FY23: Total Awards = 9, LDRD Roots = 5 (56%), Avg Years = 4.8
• FY24: Total Awards = 8, LDRD Roots = 6 (75%), Avg Years = 3.5
• FY15-FY19: Total = 32, LDRD Roots = 18 (56%)
• FY20-FY24: Total = 41, LDRD Roots = 27 (66%)
• FY15-FY24: Total = 73, LDRD Roots = 45 (62%)

2024 LANL R&D 100 Winners with LDRD Roots:

1. Compact Space Plasma Analyzer – Low SWaP sensor to monitor satellite plasma environments; deployed on ISS. Led by Carlos Maldonado with Daniel Reisenfeld, Kateryna Yakymenko, Gabriel Wilson, Justin McGlown, Anthony Rogers, Tatiana Espinoza.
2. Fierro Computational Mechanics and Materials Science Software – Multiscale physics solvers modeling microstructure influence on bulk performance; AI design optimization. Led by Nathaniel Morgan and Ricardo Lebensohn.
3. MENDS (Modular Electrochemical Nuclear Decontamination System) – Scalable surface decontamination system using recycled solution. Won Gold Medal Special Recognition for Green Tech. Led by Rami Batrice.
4. NDa (Nondestructive Alpha Spectrometer) – Field-deployable alpha spectrometer for noninvasive surface scanning of actinides. Won Silver Medal for Market Disruptor. Led by Mark Croce and Katherine Schreiber.
5. PHOENIX (Portable High-efficiency, Orthovoltage ENergy Imaging X-rays) – Field-deployable orthovoltage (500kV-1MV) x-ray source eliminating radioisotopes. Led by Scott Watson and Nicola Winch with Golden Engineering.
6. QUIC-DEPDOSE: Radiation Aerosol Dispersion and Inhalation Model – Fast software calculating radiation dose from atmospheric release down to human lung deposition using 3D topography. Won Silver Award for Corporate Social Responsibility. Led by Jennifer Harris, Mike Brown, John Klumpp, Matthew Nelson.

Top Science in the News - Fighting Fentanyl Overdose

Fighting Fentanyl Overdose: NEW DETECTORS CAN HELP FIGHT THE OPIOID CRISIS BY FINDING DANGEROUS DRUGS AT U.S. PORTS OF ENTRY

Illicit fentanyl is the number one cause of overdose deaths in the United States. To intercept shipments without opening suspicious packages, a Los Alamos team led by researcher Michael Malone is developing an instrument using nuclear quadrupole resonance (NQR), calibrated in the lab by nuclear magnetic resonance (NMR) and X-ray crystallography.

NQR uses resonant radio-frequency pulses to interact with quadrupolar nitrogen nuclei in crystalline solids. Each fentanyl analog shares a common core (piperidine and aniline groups) but has unique NQR frequencies. Laboratory chemist Aaron Tondreau synthesized analogs and determined crystal structures via x-ray crystallography, while Michelle Espy used fast-field cycling NMR to determine relaxation properties.

In March 2024, the team achieved the first-ever NQR reading for any fentanyl analog on fentanyl HCl using their prototype device. The project aims to build a portable, backpack-mounted detector for U.S. Customs and Border Protection and DHS. Funded through LDRD project 20220086DR.

Top Science in the News - Near-Earth Asteroid Data Helps Probe Possible Fifth Force

Near-Earth Asteroid Data Helps Probe Possible Fifth Force of the Universe

Using ground-based tracking and NASA OSIRIS-REx tracking data from the near-Earth asteroid Bennu, an international research team led by LANL established constraints on a potential fifth fundamental force of nature and mediating particles such as ultralight bosons (candidates for dark matter).

Future work will utilize tracking data from the asteroid Apophis during its close Earth flyby in 2029 (NASA OSIRIS-APEX mission). Supported by FY22 rapid response project (Kai Gao) and LDRD project 20240477CR (Chris Carr).

Top Science in the News - Adjusting Accelerators with Machine Learning

Adjusting Accelerators with Help from Machine Learning

Particle accelerators drift over time due to temperature fluctuations and vibrations, requiring periodic manual retuning. LANL physicist Alexander Scheinker and collaborators from Lawrence Berkeley National Laboratory developed a new machine learning technique using real-time diagnostic data and generative diffusion algorithms to create dynamic, virtual views of 6D particle beams in real time.

Tested on the FACET-II accelerator at SLAC and the European X-ray FEL, the technique allows adaptive beam tuning and virtual diagnostics. Supported by DOE Office of Science Accelerator R&D and LDRD project 20220074DR.

LDRD Long-Term Impact Story - First Critical Experiment with HALEU TRISO (Deimos)

Los Alamos Conducts First Critical Experiment Using High Assay Low Enriched Uranium in Decades

A LANL research team performed the first critical experiment in four decades using high-assay low-enriched uranium (HALEU, up to 20% enrichment) TRi-structural ISOtropic (TRISO) fuel at the National Criticality Experiments Research Center (NCERC) in Nevada. The testbed, named Deimos, validates nuclear data and criticality for advanced small modular reactors (SMRs) and microreactors.

Led by PI Theresa Cutler and co-lead Erik Luther under LDRD project 20220084DR (‘Next Generation Small Nuclear Reactors’), building on LANL small reactor heritage from KiloPower and KRUSTY.

LDRD Long-Term Impact Story - NACHOS CubeSat Hyperspectral Imaging

Tiny Satellites Big Picture: Instruments Built into Small Satellites Offer Next Generation Chemical Analysis

Physicist Steven Love led the development of NACHOS (Nano-satellite Atmospheric Chemistry Hyperspectral Observation System), a miniature CubeSat hyperspectral imager that folds a full spectrometer into a satellite the size of a loaf of bread.

Deployed in July 2022 in low-Earth orbit (500 km altitude), NACHOS has successfully mapped trace atmospheric gases such as NO2 and SO2 over the Mount Merapi volcano in Indonesia and major urban centers like Tokyo and Naples. The underlying hyperspectral technology evolved through over a decade of LDRD investments (2008-2023) and partnered NASA funding, paving the way for future satellite constellations.

Acknowledgements

Acknowledgements:

Publication Review:

• Laura Stonehill
• Jacob Waltz

Publication Editor:

• Lexi Tyler

Team Contributors:

• Amanda Neukirch
• Carole Steward
• Carolyn Urso
• Debora Wagner
• Epolito Ulibarri
• Joany Babilonia
• Lauren Harris
• Matthew Burress
• Megan Wohlberg

LA-UR-25-22694