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

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.

99 GENERAL AND MISCELLANEOUS↗

DOE SCGSR Final Report - Project Accomplishments and Additional Materials

The major accomplishments of my project were successfully developing and testing the laser interferometry diagnostic on the Plasma Liner Experiment (PLX) at Los Alamos National Laboratory (LANL). This diagnostic helped advance my research by providing a simpler way to obtain electron density measurements of magnetized plasmas compared to other electron density diagnostics such as triple Langmuir probes. The laser used was a 561 nm continuous wave (CW) diode-pumped solid state (DPSS) laser. The PLX laser interferometry diagnostic consists of two parts. These include the launching and receiving sides of the laser diagnostic. The launching side consists of the main laser beam from the DPSS laser being split into five chords(probe beams) and a reference beam which are then directed with fiber optic couplers into fiber optic cables which transmit the probe beamsto the PLX vacuum chamber. The probe beams then pass through the plasma in the chamber and into the receiving side optics where they are again directed through fiber optic cables to be combined with the reference beam. The combined beams are transmitted via multi-mode fiber optic cables to photodiodes to convert the light signals into electrical signals. Before the electrical signals get digitized, they pass through bandpass and low pass filters to eliminate electromagnetic noise and unwanted frequencies. The electrical signals are then processed by IQ demodulators to determine phase angle difference between the probe and reference beams for each chord in order to calculate line-integrated electron density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Plutonium Oxidation State Distribution in the Presence of WIPP-Relevant Organics and Iron Corrosion Products

The oxidation state and solubility of plutonium (Pu) in high ionic strength synthetic WIPP (Waste Isolation Pilot Plant) brines as a function of pC H+ in the presence and absence of WIPP-relevant organic ligands (EDTA [Ethylenediaminetetraacetic acid], oxalate, citrate, acetate) and iron corrosion products (magnetite and metallic iron) at 𝑇 = 23 ± 2 ∘C was thoroughly studied by long-term batch solubility experiments (between approximately 800-1,100 days) from an undersaturation approach. The oxidation state of Pu in the WIPP environment has been a topic of interest since the initial Compliance Certification Application (CCA). This study aims to investigate the solubility of Pu under the expected WIPP conditions and to determine the oxidation state of the solid phase that will control the solubility. One of the most important results of this study is that the Pu oxidation state was analyzed both from the surface area of the corrosion products and in the precipitated solid. The analysis of the Pu oxidation state on the surface of the iron mineral from the ongoing undersaturated experiments is more relevant to the performance assessment of nuclear waste disposal than short term batch (plutonium-iron phase) experiments. The X-ray Absorption Near-Edge Spectroscopy (XANES) analysis showed that Pu oxidation state is different on the metal surface and in the precipitated solid. Pu(III) is the dominant oxidation state in the metallic iron (Fe 0 ) system in the presence and absence of organics. Pu(IV) is the dominant oxidation state in the magnetite system in the presence and absence of organics. Also, organics stabilize Pu(IV) in the magnetite system. Analysis of Pu in the precipitated solid by Extended X-ray Absorption Fine Structure (EXAFS) analysis showed that Pu formed an inner-sphere complex with iron with minor amounts of PuO 2 present. X-ray diffraction (XRD) results indicate that metallic iron and magnetite did not oxidize in three years in the alkaline and high ionic strength system. Under these conditions (8 < pC H+ < 10 at T = (22 ± 2) °C under nitrogen atmosphere, the solubility of Pu changes by up to three orders of magnitude (10 -5 and 10 -8 M). The spread in solubility is highest at pC H+ = 9. Pu(III) and Pu(IV) showed different solubility behavior in the synthetic WIPP brine. A summary of the data collected in this report will be submitted to Sandia National Laboratories as part of a parameter update report which will outline the changes to the OXSTAT parameter for the 2026 Compliance Recertification Application (CRA-2026). The experiments performed were done according to the U.S. Department of Energy (DOE) approved Test Plan entitled “Effects of Radiolysis, Organic Complexation, and Redox Conditions on the Speciation and Oxidation State Distribution of Pu(III/IV)” (LCO-ACP-25). All data reported were obtained under the Los Alamos National Laboratory-Carlsbad Office (LANL-CO) Quality Assurance Program, which is compliant with the DOE Carlsbad Field Office, Quality Assurance Program Document (CBFO/QAPD).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Neutron Identification Capabilities in MicroBooNE Through the Application of Machine Learning with Blips

Neutrinos (ν) are subatomic particles first observed in 1956 by LANL physicists Clyde Cowan and Frederick Reines but first theorized by Wolfgang Pauli in 1930. Neutrinos are the least massive known particle and are classified as leptons with 3 flavors corresponding to their leptonic counterparts (electron, muon, and tau). We know that they are abundant, 65 billion neutrinos travel through your fingertip every second, and elusive, a single neutrino could fly through a lightyear of lead without interacting at all. Though, there is much still unknown and a better characterization of these “ghostly” particles can give us clues as to the matter/anti-matter asymmetry in the early universe and possible glimpses into new physics. To measure a particle that is extremely light and rarely interacting, physicists have developed an extremely sensitive detector known as a Liquid Argon Time Projection Chamber (LArTPC). The fiducial volume (or TPC) is bombarded with neutrinos, some of which interact with argon (Ar) atoms to produce particles that in turn excite and ionize the Ar. The products of these are free electrons which then drift through the TPC’s applied magnetic field towards a multi-plane wire readout system. The electrons’ charge is collected at this anode and the light from the initial interactions is collected by photomultiplier tubes (PMTs). In conjunction, these mechanisms allow LArTPCs to achieve millimeter spatial resolution and sub-MeV energy thresholds. The detector of interest in this study is the MicroBooNE Experiment at Fermilab. MicroBooNE is an above ground LArTPC with dimensions of approximately 10m × 2.5m × 2.3m, about the size of a school bus. Its purpose is to study neutrinos, so to improve rates of measured ν interactions, the detector is squarely in the path of the Booster Neutrino Beam (BNB) at Fermilab. A major challenge in neutrino studies is energy reconstruction, much of the neutrino’s original energy is lost in interactions that the detector is not sensitive to, often due to low-energy products. The initial goal of this analysis was to better identify neutrons, the main source of poor energy reconstruction in neutrino events. Because neutrons are neutral particles, like neutrinos, we can only directly measure the products of their interactions in LArTPCs. Most of these products are low-energy signals and while each one contributes a negligible amount of energy, collectively these signals make up most of the lost energy in each neutrino event. We define these signals as blips; point-like, isolated depositions of charge in the detector. Blips have MeV-scale energies and are the size of a single hit (charge deposition) or a cluster of a few hits on at least two wire planes. Blips are the principal detector features used to study low-energy physics; thus, they are the key to unlocking information not only about neutrons but gamma photons, supernova and solar neutrinos as well as helping us better identify certain particles. Therefore, this analysis strives to use blips for improved neutron identification (ID) and characterization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Theoretical Modeling of Reactor Relevant Conditions for Plasma Jet Driven Magneto-Inertial Fusion

The Charger Advanced Power and Propulsion Laboratory (CAPP), a laboratory within the Propulsion Research Center (PRC) at the University of Alabama in Huntsville (UAH) is working with Los Alamos National Laboratory (LANL). to develop models and inform on promising paths for high gain magneto-inertial fusion (MIF) conditions. This report provides a framework for identifying promising conditions for achieving ignition in plasma-jet-driven magneto-inertial fusion (PJMIF)[1]. As proposed, for the first part of the contract, UAH proposes to develop a gain over unity set of stagnation conditions to provide a state of plasma conditions to achieve to set long terms goals for the PJMIF program. Specifically, UAH will model PJMIF stagnation conditions to include radiation, heat transfer, two temperature energy equations, fusion reactivity and nonlocal fusion product deposition, but no hydrodynamics for these purposes. These calculations will use a stationary plasma model to reduce simulation complexity—focusing on a DT target at 10 keV. Subsequent work will include a DD plasma layer acting as an afterburner. UAH will assume an initial magnetic field without any consideration of the topology, just assume a field strength, most likely scaled with consideration of the local hall parameter. This effort will inform the team on the tradeoff between mass, peak target field, etc and the achievable gain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hazardous Waste Facility Permit Community Relations Plan

The mission of Los Alamos National Laboratory (LANL or the Laboratory) is to solve national security challenges through scientific excellence. Our vision is delivering science and technology to protect our nation and promote world stability.

54 ENVIRONMENTAL SCIENCES↗

Parallel Programming in MCNP6

Monte Carlo N-Particle (MCNP)1 is a general-purpose Monte Carlo particle transport code developed by Los Alamos National Laboratory (LANL). To efficiently handle long simulations, MCNP version 6 (MCNP6) supports parallel execution using two primary programming models: • Shared-memory task-based threading using OpenMP (Open Multi-Processing), and • Distributed-memory calculations using MPI (Message Passing Interface). The OpenMP and MPI programming models enable MCNP6 to scale from desktop systems to high-performance computing (HPC) clusters, allowing users to run MCNP in one of three parallel modes: • OpenMP-only, • MPI-only, and • Hybrid (MPI + OpenMP). The choice of parallelization mode depends on the underlying computer architecture and the characteristics of the simulation problem.

97 MATHEMATICS AND COMPUTING↗

Effects of Borate and Organics on U(VI) Solubility in WIPP Brine

This report provides an update to a previously issued report on the solubility of uranium (VI) at different borate concentrations and in the presence of organics. The solubility of uranium (VI) in the Waste Isolation Pilot Plant (WIPP)-relevant brine was determined to support ongoing WIPP recertification activities (CRA-2026). This research was performed by the Los Alamos National Laboratory-Carlsbad Operations (LANL-CO) Actinide Chemistry and Repository Science Program (ACRSP).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Monitoring the Structural Health of the Stage-Four Gibbs Resistor In Order to Maintain a Functioning Pulse-Forming Network

The Dual-Axis Radiographic Hydrodynamic Test (DARHT) facility at Los Alamos National Laboratory (LANL) is a critical facility used for nuclear weapons research and development (Los Alamos National Laboratory). Its primary function is to provide high-resolution, real-time images of the behavior of materials under extreme conditions, specifically during the hydrodynamic testing of nuclear weapons surrogates. The facility uses advanced radiographic techniques, such as dual-axis X-ray imaging, to capture detailed snapshots of these materials as they react to high-pressure environments. DARHT plays a key role in maintaining the safety, security, and reliability of the U.S. nuclear arsenal, supporting the Stockpile Stewardship Program. The facility helps ensure that nuclear weapons perform as designed without the need for nuclear tests. Its dual-axis radiography provides more precise data than traditional single-axis imaging, offering a comprehensive view of the internal dynamics of a weapon's primary stage.

42 ENGINEERING↗

Using molecular dynamics simulations to validate a new approach for determining the melting curves of materials

The Los Alamos National Laboratory (LANL), located in the state of New Mexico (United States), is one of the most iconic research centers in the world. Founded in 1943 as part of the Manhattan Project, it emerged from a global conflict and an unprecedented scientific emergency. At that time, the United States feared that Nazi Germany might develop an atomic weapon first. Under the direction of physicist J. Robert Oppenheimer, the U.S. government established a secret laboratory in an isolated region of the Los Alamos plateau, bringing together some of the greatest scientific minds of the era. This site, then known as Project Y, became the birthplace of the first atomic bomb.

36 MATERIALS SCIENCE↗

Using Separation-Enhanced Isotope Ratio Mass Spectrometry to Enable Increased Renewable Carbon Content in Transportation Fuels (CRADA 525)

Stable isotope ratio measurements of carbon atoms using isotope ratio mass spectrometry (IRMS) can be an effective tool for quantifying biogenic carbon in co-processed fuels, with results approaching the precision and accuracy of accelerator mass spectrometry (AMS). The lower cost of an IRMS may enable deployment to refineries, improving access and analysis turnaround times (≤2 hours), and, by extension, provide data that can allow process optimization to maximize renewable carbon in desired refinery products. This project explored the integration of chemical separation with IRMS analyses to enable highly detailed tracking of biogenic carbon into fuel product streams separated by boiling point range, chemical class, or specific compound. Forty-nine fuels and fuel components of fossil and biogenic origin, spanning gasoline and diesel boiling point ranges, were received from three refiners and were analyzed for their δ 13 C values via IRMS. Results spanned a 13 C range from ca. 10‰ to 44‰ and reflect materials derived from sustainable sources (e.g., C4 or C3 plants, animal-based pathways, syngas) or from fossil-derived fuels. Common ranges are approximately 18‰ to 9‰ and approximately 30‰ to 20‰ for C4 and C3 plants, respectively, and approximately 34‰ to 24‰ and approximately 70‰ to 33‰ for petroleum-derived fuels and methane, respectively. Fuel-like standards were developed and tested using direct-injection elemental analyzer (EA) IRMS for liquid fuels. This method was compared with the published methods, yielding statistically similar results. Four blend curve sets were produced ranging from 0% to 100% of a fuel containing biogenic carbon, focusing on 0% to 10% biogenic carbon. Linear fits were the most applicable for two of the four blend curve sets; however, two sets were found to exhibit slightly quadratic behavior, which was more pronounced in low biogenic blend samples, necessitating second-order fits. The origin of the slight quadratic behavior remains unclear; however, the discussion points to possible interpretations. CanmetENERGY thoroughly characterized a majority of the samples using one- and two-dimensional gas chromatography (GC and GC×GC, respectively) and other analyses. Selected samples were subjected to solid phase extraction (SPE) for saturate, olefin, aromatic, and polar (SOAP) analysis, and the resulting solvent-diluted fractions containing saturates and aromatics were returned to Pacific Northwest National Laboratory (PNNL), where the solvent was removed via evaporation or physical separation using GC techniques. Characterization and separations provided an understanding of saturate and aromatic content, as well as boiling point ranges for each sample and sample fraction. Samples resulting from SPE were examined using EA-IRMS and gas chromatography combustion IRMS (GC-C-IRMS) analyses. Both approaches suggest that the range in values between end-members can be increased by selecting the paraffinic or aromatic fraction of the end-member or by selecting among individual compounds resulting from GC separation of the paraffinic fractions. Considerable work remains to put these approaches into practice and statistically validate the benefit for using a fraction or individual compound over bulk analysis of a sample. However, initial results suggest that separations provide advantages for samples having blend ratios of less than 10% biogenic blendstocks. 13 C results showed statistically similar biofuel blend results to those obtained at PNNL, although additional work is needed to obtain better reproducibility. Select samples were sent to Los Alamos National Laboratory (LANL) for IRMS measurements and Beta Analytics for AMS measurements. This work suggests that IRMS and AMS yield closely comparable results and in some circumstances, IRMS could serve as a surrogate for AMS. While additional work is needed to better resolve statistical advantages for separations and better show the comparable nature of IRMS and AMS in both the biogenic carbon analysis of bulk chemical classes, initial results from this study suggest that these should be pursued in order to proliferate this approach for quantifying biogenic carbon in transportation fuels to the refinery level, thereby potentially enabling process optimization in co-processing scenarios.

09 BIOMASS FUELS↗

Data Analysis, Machine Learning, & More

At LANL, I have had the privilege and pleasure of working with Dr. Tika Kafle, an optics and condensed matter physicist at the MagLab in TA-35. Dr. Kafle’s research primarily involves the Angle Resolved Photoemission Spectroscopy (ARPES) technique of characterizing materials. More specifically, Dr. Kafle works with Time Resolved ARPES (Tr-ARPES), which extends this technique into the time domain.

36 MATERIALS SCIENCE↗

Evaluation of Glovebox Fires Involving Flammable Liquids and Standard Glovebox Tools (Final Report)

This research effort was commissioned to examine factors related to loss of containment due to fire within a glovebox (GB). Tests consisted of multiple trials with varying initial conditions. Com bustible levels and types were chosen to reflect realistic operation conditions (including worst-case scenarios), involving flammable liquids, GB tools, and other combustible items commonly found in GBs at Los Alamos National Labs (LANL).

42 ENGINEERING↗

WRS Capabilities Booklet [Slides]

WRS is the digital backbone of the Weapons Program—delivering trusted data assets, cyber-assured software and systems, and AI-enabling software—that transform insights into decisive action. We empower physicists, engineers, researchers, and scientists to think faster, act strategically, and stay ahead in an ever-evolving threat landscape. Our efforts ensure critical nuclear weapons data remains secure, accessible, and usable—supporting mission-critical work, informed decision making, and scientific advancement at LANL and across the Nuclear Security Enterprise (NSE).

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Finite Element Analysis of the TRUST Nonlinear Dynamics Testbed

This paper builds on prior work conducted within the Los Alamos National Laboratory (LANL) Testbeds to Reduce Uncertainty in Simulations and Tests (TRUST) program. Specifically, it builds on finite element (FE) modeling efforts for the TRUST program’s Nonlinear Dynamics (ND) testbed. Historically, the FE model for the ND testbed has exclusively utilized a Lanczos eigensolver that linearly extracts the system’s natural frequencies. This paper investigates the Abaqus 2024’s explicit dynamic solver, which implements a central difference explicit solver. The central difference method used in Abaqus can capture nonlinear material responses in structural dynamic simulations making it suitable for the ND FE model.

42 ENGINEERING↗

M3SF-25LL010302052 - Radionuclide Interaction with Hydrothermally Altered Repository Materials

This progress report (Level 3 Milestone Number M3SF-25LL010302052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline Host Rock Properties & Processes - LLNL Number SF-25LL01030205. Observed changes in radionuclide sorption after bentonite/clay heating have implications for radionuclide diffusive transport through engineered barriers and must be considered when designing waste disposal repositories. Recent research performed at Los Alamos National Laboratory (LANL) has provided key insights regarding the hydrothermal alteration behavior of bentonite backfill in the presence of repository materials (steel, concrete, etc.). We are examining how this mineral alteration affects retardation behavior of a suite of radionuclides of interest to repository performance assessment. Sorption experiments and data analysis for 233 U were initiated in FY24 following earlier experiments performed on 243 Am, 90 Sr, 137 Cs. In FY25, we completed the 233 U study and initiated and completed a study of 237 Np sorption. Below, we summarize the results and potential impacts of hydrothermal alteration on radionuclide retardation and assess the importance of this process to radionuclide migration from a GHRDC. We also use statistical tools (i.e. PCA) to help us determine the major drivers in affecting changes in measured Kd values induced by hydrothermal alteration. These experiments also allow us to test the predictive ability of our component additivity approach to surface complexation and ion exchange. Our guiding hypothesis is that a robust surface complexation/ion exchange model and associated database can effectively predict changes in radionuclide sorption behavior resulting from the hydrothermal alteration of mineralogy in a repository near field. In November 2024 the paper “Selenium interaction with iron minerals: Quantitative comparison of sorption and coprecipitation impacts on mobility” was published in Applied Geochemistry. A short update of results to date is presented below. In FY25, we also actively supported the DITUSC project, which is part of the EURADII initiative, as associate partners. We are executing the Migration2025 conference and support associated the NEA-TDB and Thermochimie workshops that will provide critical international engagements and develop consensus and synergy in thermodynamics as it relates to supporting the US nuclear waste repository program.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Public Release of the MENDF80 and MT80 Nuclear Data Libraries for NDI

This document describes the MENDF80 and MT80 data libraries, which are multi-group neutron cross section libraries based on ENDF/B-VIII.0 for LANL’s Nuclear Data Interface (NDI). MENDF80 is a downscatter-only library, while MT80 is multi-temperature. Both libraries also have 30-group pre-collapsed versions, MENDF80 30 and MT80 30.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

FY26 MID-YEAR REPORT 238 Pu Measurement in Bulk Environmental Samples by Thermal Ionization Mass Spectrometry (TIMS)

Funding was received in December 2026 to optimize a nascent measurement capability for mass spectrometry of 238 Pu, as it would apply to relevant environmental collections in safeguards applications, i.e. NWAL swipes or other bulk collections such as soil, sediment, waters, or air filters. The measurement relies on differing ionization temperatures for U and Pu during thermal ionization and therefore leverages TIMS to partially separate and measure these elements. Collected counts of 238 Pu can be mathematically corrected for interfering counts of background 238 U, by addition of a U tracer (e.g. 235 U) to account for the 238 U present. The method has undergone initial characterization at LANL regarding detection limit, precision, and accuracy but requires further applicability-testing for possible use in safeguards.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗