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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Unveiling X-ray absorption signatures of boron nitride via first-principles simulation and machine learning

Boron nitride (BN) allotropes hold great promise in many advanced applications ranging from optical and photonic devices to energy storage and battery systems to tribological components. The diverse functionalities of this material stem from BN’s highly tunable structural and electronic properties, which are governed by the versatile boron–nitrogen bonding configurations. Exploring the structural landscape of BN can unveil novel structures possessing unique properties suited for specific applications, therefore accelerating the design of next-generation advanced functional materials. In this work, we leverage boron K-edge X-ray absorption spectroscopy (XAS) as an effective probe for local structural features and chemical environments. A total of 210 BN crystal structures are generated via analogies to the extensive array of carbon allotropes, and XAS is simulated for each unique local motif within the resulting collection of structures. A mapping between structural features and spectral signatures was established by synergizing first-principle simulations with data-driven based post-analysis approaches. Specifically, we developed a neural network model that can satisfactorily predict spectra line shapes from local structural descriptors. Toward automatic spectroscopic interpretation of any new BN structures, supervised machine learning models, trained on this structure–spectrum dataset, can accurately infer local coordination environments from simulated XAS, highlighting the strength of this unique approach of combining high-fidelity first-principles simulation and machine-learning to accelerate target design of novel BN materials via rational understanding of local structure-spectrum correlations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Using Hydrodynamic Similarity as a Verification Method for Impact Cratering Simulations in the FLAG Hydrocode

Hydrodynamic codes (hydrocodes) are common tools for modeling hypervelocity impacts to provide insight into the physical phenomenon. Hydrocodes can simulate impacts from micrometer to kilometer spatial scales and reach impact velocities difficult to achieve in experimental settings. However, numerical models are approximations, and demonstrating that a numerical method is capable of providing physical results for these models is essential. In this work, we employ a hydrocode verification technique that leverages hydrodynamic similarity, a mathematical property of the conservation equations of fluid mechanics that form the basis for hydrocode models. Using the FLAG hydrocode, we simulate aluminum (Al) and basalt projectiles and targets at spatial scales spanning 7 orders of magnitude (hundreds of micrometers to kilometers). These materials were chosen because Al-6061 is a common material in spacecraft and satellites and basalt is a useful approximation of rocky astronomical bodies. Our results show that hydrodynamic similarity holds for each material model used and across spatial scales. We show that under certain conditions hydrodynamic similarity can apply in the presence of gravity and that similarity does not hold in the presence of strength models. We conclude that the FLAG hydrocode preserves important mathematical properties of fluid dynamics in hypervelocity impacts of Al-6061 and basalt.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Density drop at the divertor target in the prototype material plasma exposure eXperiment (Proto-MPEX)

The steady-state linear device “Material Plasma Exposure eXperiment” (MPEX) is currently under construction at Oak Ridge National Laboratory with the goal of enabling Plasma-Material Interaction studies at future fusion reactor relevant plasma conditions. In this work, a newly in-house developed hybrid Particle-In-Cell code-PICOS++ is applied to understand the experimental results obtained from the prototype of MPEX referred to as the “Proto-MPEX” during its helicon-only and helicon with ion cyclotron resonance heating (ICRH) experiments. This study explains the physics of the experimentally observed plasma density-drop at the divertor target in Proto-MPEX device during ICRH. In contrast to previous work on ICRH in MPEX, this study demonstrates that the mirror force plays a central role in the Proto-MPEX plasma transport during ICRH, which has new features not previously explored. Force balance analyses reveal that the temperature anisotropy produced by ICRH leads to a significant increase in the mirror force downstream of the resonance where the magnetic field is diverging. This force accelerates ions toward the target and leads to a drop in plasma density to ensure conservation of particle flux. Simulations with ICRH where the magnetic field divergence downstream of the resonance has been removed, do not produce plasma acceleration nor density drop at the target despite efficient ion heating at the resonance. Moreover, simulation results demonstrate that for a given ICRH power, lowering the source rate produces ions with increased perpendicular energy which interact with the mirror force to produce higher plasma acceleration which increases the strength of the density-drop at the target. The strength of the density drop appears to reach an asymptotic limit at a certain threshold ICRH power. Simulations show that this threshold power increases with increasing particle source rate.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Updated background simulations for DANCE, FP-14

With the installation of the Mark-IV target at LANSCE in 2022 significant changes of the beam-related backgrounds at DANCE are observed. The impact on the count rate at DANCE was discussed and simulated in an earlier report [4]. We report here on simulations, which follow the same general idea as in [4].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Sensitivity of the dynamic-shell target to laser drive nonuniformities

The dynamic-shell concept for inertial confinement fusion (ICF) uses an initially homogeneous target and a carefully shaped laser pulse to form a shell and implode it. The laser pulse consists of a series of pickets that drive shocks into the target. The first few shocks converge inwards and rebound from the center of the target, creating an expanding, low-density plasma. Subsequent shocks are launched into the expanding plasma and eventually coalesce to form a shell, which is then imploded with a traditional ICF laser pulse. This study describes radiation-hydrodynamic simulations that investigate the sensitivity of dynamic-shell targets to imperfections in the laser drive. A one-dimensional (1D) study looks at mistiming and power variations in the pickets and a two-dimensional (2D) study examines irradiation perturbations imposed by the laser-beam geometry. Simulations show that less than ~2% power imbalance or 200 ps timing variation in the pickets is sufficient to keep the yield above 90% of the maximum. Additionally, the 2D simulations show that 72 or more beams are required to keep irradiation nonuniformities low enough to obtain fusion yields close to that of 1D simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Wetted-foam target stability for laser-direct-drive inertial confinement fusion

Using highly resolved three-dimensional radiation-hydrodynamic simulations, the effects of wetted-foam (WF) ablators in direct-drive inertial confinement fusion cryogenic implosions on the OMEGA laser were investigated. The performance of these implosions was compared with that of implosions using targets with solid-plastic ablators. Simulations considering WF ablators as a homogeneous material show no mitigation of the effects of laser imprint, where the absence of this mitigation can be attributed to the use of picket pulses. Heterogeneous random-structure WF ablators introduce large short-wavelength perturbations, which are seeded by WF inhomogeneities. These perturbations exceed the perturbations seeded by the imprint and cause an additional reduction in implosion performance when the average pore size in the WF exceeds ~0.2 μm. Foam-seeded perturbations are expected to be less damaging in more stable high-adiabat (⁠ ≳ 5⁠) implosions. Here, the perturbations introduced by the WF ablators can be substantially reduced by using a foam matrix with a layered structure instead of a random one. Further study of the effects of WFs in ignition designs of the MJ laser energy scale is required in the perspective of future inertial fusion energy mass production.

Igumenshchev, I. V. [University of Rochester, NY (↗
DOE OSTI2026

Efficient Simulation of Logical Magic State Preparation Protocols

Developing space- and time-efficient logical magic state preparation (MSP) protocols will likely be an essential step toward building a large-scale fault-tolerant quantum computer. Motivated by this need, we introduce a scalable method for simulating logical MSP protocols under the standard circuit-level noise model. When applied to protocols based on code-switching, magic state cultivation, and magic state distillation, our method yields a complexity polynomial in (i) the number of qubits and (ii) the nonstabilizerness, e.g., stabilizer rank or Pauli rank, of the target encoded magic state. The efficiency of our simulation method is rooted in a curious fact: every circuit-level Pauli error in these protocols propagates to a Clifford error at the end. This property is satisfied by a large family of protocols, including those that repeatedly measure a transversal Clifford that squares to a Pauli. We provide a proof-of-principle numerical simulation that prepares a magic state using such logical Clifford measurements. Our work enables practical simulation of logical MSP protocols without resorting to approximations or resource-intensive state-vector simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Axion pulsarscope

Electromagnetic fields surrounding pulsars may source coherent ultralight axion signals at the known rotational frequencies of the neutron stars, which can be detected by laboratory experiments (e.g., pulsarscopes). As a promising case study, we model axion emission from the well-studied Crab pulsar, which would yield a prominent signal at 𝑓 ≈ 29.6 Hz regardless of whether the axion contributes to the dark matter abundance. We estimate the relevant sensitivity of future axion dark matter detection experiments such as DMRadio-GUT, Dark SRF, and CASPEr, assuming different magnetosphere models to bracket the uncertainty in astrophysical modeling. For example, depending on final experimental parameters, the Dark SRF experiment could probe axions with any mass 𝑚 𝑎 ≪ 10 −13 eV down to 𝑔 𝑎⁢𝛾⁢𝛾 ∼3 × 10 −13 GeV −1 with one year of data and assuming the vacuum magnetosphere model. These projected sensitivities may be degraded depending on the extent to which the magnetosphere is screened by charge-filled plasma. The promise of pulsar-sourced axions as a clean target for direct detection experiments motivates dedicated simulations of axion production in pulsar magnetospheres.

axions↗
DOE OSTI2026

Powersheds

Powersheds is an open scientific software project for simulating river–reservoir cascades. It combines the performance of Rust with a friendly Python interface to model storage, pool elevation, head, releases, spills, routing lags, and power generation at hourly resolution. Designed for coupling with power-system models, simulations are driven by plant-level target power schedules and report realized generation after accounting for hydrologic and operational constraints.

Turner, Sean [Oak Ridge National Laboratory (ORNL)↗
DOE OSTI2024

Effect of Anoxic Iron Corrosion on WIPP Brine Geochemistry FY23 Final Report (U)

A 280-day study was completed to evaluate the effect of zero-valent iron (Fe 0 ) on the Waste Isolation Pilot Plant (WIPP) brine geochemistry under anticipated reducing conditions. Hydrogen (H 2 ) gas is expected to be present in the repository after closure due to the anoxic corrosion of a vast quantity of iron contained in the waste forms disposed at WIPP; therefore, a background argon atmosphere containing H 2 was chosen for this study. WIPP groundwater brine pH and E h will impact the mobility and fate of plutonium within the repository. Modeling and laboratory results for Castile WIPP brine indicate that equilibrium fa values relative to the standard hydrogen electrode (SHE) are 40 mV more reducing (i.e., more negative) than those for Salado WIPP brine (-480 mV vs. -440 mV, respectively) because of the higher pH of the Castile brine (pH 9 .3 for Castile vs. pH 8.8 for Salado). The E h and pH data were corrected for the effects of high ionic strength. The experimental results for both brines are consistent with thermodynamic predictions using OLI Systems' Mixed Solvent Electrolyte chemical equilibrium model. The measured and corrected pH and E h data from this study are provided in Table ES-I and Table ES-2, respectively. The experimental study, with four test conditions in triplicate, was performed in a dual glovebox with a nominally 3 vol.% H 2 in argon atmosphere (target H 2 range: 3 ± I vol.%). Simulants containing MgO only ( experimental control) and MgO+Fe 0 (WIPP base case) were prepared for both the Salado and Castile brines. MgO was included in all simulants to account for the use of bulk magnesium oxide in the WIPP repository. Fe 0 was included in some simulants to incorporate the effects of the anoxic corrosion of iron and in-situ hydrogen generation in the study. The brine compositions were developed by Sandia National Laboratory (SNL; Xiong, 2008) and have been used in previous WIPP evaluations. The test method (agitation, etc.) is partially based on ASTM D3987-12. Twelve rounds of periodic measurements of pH and E h were performed over the course of the study. Chemical analysis results for liquids and solids (ICP-MS, ICP-ES, IC Anion, TIC, SEM-EDX) are consistent with the pH, E h , and thermodynamic modeling results. This study included the following conditions that deviate from anticipated post-closure conditions following brine intrusion, but were selected to facilitate bench-scale testing to validate modeling of pH and E h for the post-closure WIP P repository: an anoxic glove box atmosphere containing ≤ 4 vol. % H 2 vs. substantially higher H 2 gas concentrations assumed in the WIPP Performance Assessment (PA); a significantly higher liquid-to-solid test ratio compared to the much lower phase ratio anticipated in the WIP P repository; agitation of the simulant bottles to maximize mass transfer; and finally the use of Fe 0 reagents having a much greater surface area than expected in the WIP P repository. Non-representative conditions were chosen for various reasons such as: to provide bounding conservative results, to provide a margin of safety for testing, or to facilitate simulant sub-sampling and analysis. In a parallel effort, aqueous electrolyte thermodynamic models were developed for the synthetic Salado and Castile brines to inform the experimental design, facilitate laboratory data interpretation, and allow extension of evaluations beyond the parameters tested. Thermodynamic modeling simulations including the MgO and Fe 0 additives that are directly relevant to the experimental measurements (e.g., pH calibration curve, ORP corrections) are included in this report. The measured fa of the simulants was close to the OLI model predictions for both brines and was largely controlled by the background H 2 partial pressure in the vapor phase as well as H 2 generated in situ in the aqueous phase by the Fe 0 corrosion. The H 2 gas-phase concentration tested and thermodynamically evaluated was much lower than is assumed in the WIPP PA; however, H 2 (g) concentrations significantly below this level are still predicted to result in very reducing conditions. In conclusion: • The experimental results are consistent with thermodynamic model predictions for fa, pH, and the effects of high ionic strength. • Evidence to date suggests that the H2 concentration in the glovebox atmosphere ultimately determined the final E h values of the simulants and resulted in highly reducing conditions. As a result, little difference was observed between the control simulants containing only MgO and the WIPP base-case simulants that contained MgO and Fe 0 . • This test methodology is recommended for future studies evaluating WIPP repository conditions. The methodology includes: (1) background H 2 in argon with agitation ( or could alternatively include in-situ-generated H 2 in sealed bottles); (2) carefully measured and corrected ORP data ( with much effort focused on allowing the probes to fully stabilize); and (3) ionic-strength-corrected pH data. Other best practices, such as simulant sparging/handling, ORP probe replacement, etc., should also be considered. • The coupling of experimental studies and thermodynamic modeling is also highly recommended because these methods inform and direct one another leading to greater confidence in and understanding of the results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Cosmological Constraints from Full-Scale Clustering and Galaxy-Galaxy Lensing with DESI DR1

We present constraints on cosmic structure growth from the analysis of galaxy clustering and galaxy-galaxy lensing with galaxies from the Dark Energy Spectroscopic Instrument (DESI) Data Release 1. We analyze four samples drawn from the Bright Galaxy Survey (BGS) and the Luminous Red Galaxy (LRG) target classes. Projected galaxy clustering measurements from DESI are supplemented with lensing measurements from the Dark Energy Survey (DES), the Kilo-Degree Survey (KiDS), and the Hyper Suprime-Cam (HSC) survey around the same targets. Our method relies on a simulation-based modeling framework using the AbacusSummit simulations and a complex halo occupation distribution model that incorporates assembly bias. We analyze scales down to $0.4 \, h^{-1} \, \mathrm{Mpc}$ for clustering and $2.5 \, h^{-1} \, \mathrm{Mpc}$ for lensing, leading to stringent constraints on $S_8 = σ_8 \sqrt{Ω_\mathrm{m} / 0.3}$ and $Ω_\mathrm{m}$ when fixing other cosmological parameters to those preferred by the CMB. We find $S_8 = 0.794 \pm 0.023$ and $Ω_\mathrm{m} = 0.295 \pm 0.012$ when using lensing measurements from DES and KiDS. Similarly, for HSC, we find $S_8 = 0.793 \pm 0.017$ and $Ω_\mathrm{m} = 0.303 \pm 0.010$ when assuming the best-fit photometric redshift offset suggested by the HSC collaboration. Overall, our results are in good agreement with other results in the literature while continuing to highlight the constraining power of non-linear scales.

Lange, Johannes U. [American U.] (ORCID:0000000224↗
DOE OSTI2025

Surrogate-driven Variance-based Sensitivity Analysis of Thermal Storage Tanks in Integrated Energy Systems

Sensitivity analysis and uncertainty quantification are essential steps for enhancing the accuracy of computational models by identifying and mitigating uncertainties. This study focuses on these steps for the Thermal Energy Delivery System at Idaho National Laboratory, specifically targeting the thermocline tank. Using a Modelica/Dymola simulation model, the study perturbed various design parameters and boundary conditions, including shape factor, porosity, outlet temperature, inlet mass flow rate, and system pressure, to predict and quantify uncertainty in the tank’s ax- ial temperature. A dataset of over 1,000 simulations was generated, and surrogate models were developed using the pyMAISE (Michigan Artificial Intelligence Standard Environment) library, which is an Automatic Machine Learning library for nuclear engineering applications. The optimal model, a feedforward neural network with two hidden layers, achieved an R2 score above 0.99 and a mean absolute error below 1 Kelvin. Sensitivity analyses using Sobol indices and Fourier amplitude sensitivity testing methods on this surrogate model revealed that the inlet mass flow rate at initial timestamps and porosity significantly impacts predicted temperatures across all sensors and time steps.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Precision Kinematic Sunyaev--Zel'dovich Measurements Across Halo Mass and Redshift with DESI DR2 and ACT DR6: Part I. Luminous Red Galaxies

We present the most precise measurements of the kinetic Sunyaev-Zel'dovich (kSZ) effect around luminous red galaxies to date, detecting the signal at $18σ$ significance in both harmonic and configuration space. Our analysis cross-correlates 2.4 million spectroscopic LRGs from the Dark Energy Spectroscopic Instrument (DESI) DR2 sample with Data Release 6 (DR6) of the Atacama Cosmology Telescope (ACT). We develop a novel harmonic-space cross-correlation approach using momentum-weighted kSZ templates, yielding nearly uncorrelated bandpowers within a framework consistent with other large-scale structure analyses. By incorporating the LRG halo occupation distribution (HOD) and its uncertainty, we convert measured galaxy gas profiles into halo gas profiles and provide generalized Navarro-Frenk-White (GNFW) fitting profiles, providing empirical targets for tuning feedback efficiency in hydrodynamical simulations and for baryonic modeling in large-scale structure analyses. We find strong evidence that gas profiles do not trace dark matter, providing direct evidence for gas redistribution beyond gravitational collapse. Comparing to hydrodynamical simulations, our measurements favor feedback efficiencies exceeding those in the Battaglia profile, suggesting more efficient gas ejection in group-scale halos than previously predicted. Splitting by redshift, we detect the kSZ signal at SNR $\approx 5$--$10$ in each of four bins and find amplitude evolution consistent with the expected decline in mean halo mass at fixed comoving number density. Splitting by stellar mass, we study the scaling of kSZ amplitude with galaxy properties. Together with BGS and ELG measurements in Paper II, these results span $0.1 \lesssim z \lesssim 1.6$ across three galaxy populations, demonstrating the potential of spectroscopic kSZ to map circumgalactic gas and constrain baryonic feedback.

Qu, F. J. [KIPAC, Menlo Park; Stanford U., HEPL; S↗
DOE OSTI2025

Socio-Techno-Economic Feasibility of Deep Geothermal with EGS for Residential District Heating in the Northeastern United States

In this paper, we present socio-techno-economic simulation results for enhanced geothermal system (EGS) district heating systems in the northeastern United States. We applied the geospatial Distributed Geothermal Market Demand (dGeo) tool coupled with GEOPHIRES to evaluate the feasibility of geothermal deep direct-use, utilizing EGS reservoirs for providing residential heating with district heating systems. The results were combined with JEDI results to assess social impacts. Simulation results assuming doublet EGS reservoirs with target production temperature of 80 degrees C and newly constructed district heating systems indicate a wide range in system levelized cost of heat (LCOH) values ranging from ~$15/MMBtu to over $1,000/MMBtu, with most the attractive regions urban areas with high total thermal demand and high thermal demand density. We estimate about 60 GWth in potential installed capacity with LCOH values under $50/MMBtu and 100 GWth in potential capacity with LCOH values under $100/MMBtu, respectively.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

A lumped particle direct simulation Monte-Carlo method combined with the collisional-radiative model for simulations of non-equilibrium laser-induced plasma plumes

Collisional plasma plumes induced by laser irradiation of material targets exhibit large variations in local density as well as ionization and excitation states, making purely hydrodynamic or kinetic simulations inaccurate or infeasible. To address this challenge and capture non-equilibrium effects in laser-induced plasma plumes at arbitrary degrees of ionization, we develop a hybrid computational approach that combines the kinetic direct simulation Monte Carlo (DSMC) method with a collisional-radiative model (CRM). This ℓDSMC-CRM approach utilizes a lumped particle method to represent minor fractions of excited ions in particle-based simulations and a special coarse-graining technique for atomic spectra and photoionization rates, ensuring numerical convergence at reduced computational cost. The hybrid approach is applied to simulate spatially homogeneous relaxation as well as one- and two-dimensional expansions of plasma plumes induced by irradiation of a copper target by a nanosecond laser pulse in a vacuum or background gas. The comparison with an equilibrium model, where local Saha-Boltzmann equilibrium is enforced, shows that the non-equilibrium effects play a dominant role. The equilibrium model can fail to predict the flow structure and strongly underestimate the degree of absorption of laser radiation by the plume. The ℓDSMC-CRM approach is validated against experimental data demonstrating reasonable agreement with the experimental electron density and temperature, while the equilibrium model is found to dramatically underestimate electron density and temperature. The flexibility of the ℓDSMC-CRM approach allows for its seamless integration into existing DSMC frameworks, making it a valuable tool for high-fidelity plasma modeling in laser-material interactions, laser-based manufacturing, and beyond.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Edge-localized mode mitigation enabled by active control of pedestal density gradient with new EAST tokamak divertor

Mitigation of large edge-localized modes (ELMs) has been achieved by actively reducing the pedestal density gradient with the EAST new right-angled lower divertor through changing the strike point position from the vertical target to the horizontal target. A series of dedicated experiments in the 2021–2024 EAST campaigns demonstrate that this ELM control solution is highly reproducible in a broad parameter space of edge safety factor q 95 = 4.7–7.1, heating power P total = 2.3–5 MW, and pedestal collisionality $ν_{e,ped}^{*}$ = 1–6, under both favorable and unfavorable magnetic configurations. Higher plasma density could facilitate the achievement of this ELM control solution. Statistical results indicate that the ELM mitigation effect can be observed at relatively larger Greenwald density fraction of f GW > 0.47. In addition, this ELM mitigation effect can be achieved with both lithium-coated and boronized metal walls. The pedestal density gradient is systematically lower in the horizontal target case than that of the vertical target case when the ELM mitigation effect can be observed. SOLPS-ITER simulation results indicate that the pedestal fueling from divertor recycling is significantly lower in the horizontal target case. This could contribute to the formation of a flattened pedestal density profile with small ELMs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

High Energy Density Physics of Inertial Confinement Fusion Ablator Materials

The historic December 5, 2022 experiment at Lawrence Livermore National Lab’s (LLNL) National Ignition Facility (NIF) reached fusion energy ignition for the first time. This is the most important scientific breakthrough of the 21st century paves the way to future clean inertial fusion energy (IFE). The diamond (high density carbon (HDC)) ablator material used in this experiment displays detrimental effects due to the development of hydrodynamic instabilities at the diamond/fuel interface under shock compression. New alternatives to diamond ablators are required to step up the energy yield in ICF experiments. The unique combination of mechanical strength (approaching that of diamond), the ability to accommodate high-Z dopants (in contrast to diamond), and the tunability of the properties (through synthesis material with varying sp 3 content) make amorphous carbon (a-C) a promising material for next-generation IFE ablative capsules. However, despite its critical importance to the IFE program, the behavior of a-C carbon at extreme temperatures and pressures remains largely unexplored. The primary goals of this project were to perform groundbreaking dynamic compression experiments and predictive simulations to uncover the fundamental high-energy-density physics of amorphous carbon. Our goals were (1) to uncover the metastability range of amorphous carbon and probe phase transitions to diamond or metastable supercooled liquid carbon; (2) to acquire high-quality equation of state (EOS) data and develop an experimentally validated EOS from machine-learning MD simulations of the complex states of carbon; and (3) to uncover the complex behavior of carbon liquid in both thermodynamically stable and metastable supercooled states by accessing large areas of carbon phase diagram with amorphous samples with variable sp 3 content. Our proposed experimental program included measurements of equation of state and diffraction measurements using the Omega EP laser at the Laboratory of Laser Energetics at the University of Rochester. The theoretical/simulation program involved the development of machine-learning models of the complex response of amorphous carbon under dynamic compression by performing molecular dynamics simulations at experimental time and length scales using leadership class DOE supercomputers. Simulations guided experiments to observe predicted phenomena and acquire critical experimental data in specific pressure-temperature domains to validate theoretical models. This research delivered fundamental properties of novel amorphous carbon IFE ablator material, including phase diagram and EOS. These results will aid in IFE target design and implosion experiments. A unique combination of predictive simulations and dynamic and static experiments provided a highly inspirational intellectual environment for graduate students and postdocs involved in this project.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Implementation of INCL Nuclear Model in GENIE Generator

The Li ge Intranuclear Cascade (INCL) model is a nuclear-physics model that simulates hadron (baryon, anti-baryon and meson) reactions on nuclei, for incident energies ranging from a few tens of MeV to 10-20 GeV. The INCL model has been well validated by hadron scattering data. In my work, I implement an interface in GENIE to use the INCL nuclear model in the simulations of both the initial state of the target nucleus and the Final State Interaction in neutrino-nucleus interaction. It has a consistent treatment of nuclear models in both neutrino interaction and hadron rescattering. A full event record including neutrino vertex and each vertex of hadron rescattering has been accomplished. Several processes, e.g. cluster production, Delta transportation and de-excitation will also be included as benefits of the implementation of the INCL model in GENIE. I will show some initial simulation results showcasing the new GENIE features and discuss plans for making them available for use in experimental analyses.

Liu, Liang [Fermilab]↗