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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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DOE OSTI2024

Atomistic Simulations for Thermophysical Properties of Uranium-Containing Halide Molten Salts

Characterizing the thermophysical properties in both fuel and coolant salts are critical in modeling, developing, process optimizing and utilizing molten salt reactors (MSRs), as these properties directly relate to operation metrics and can inform on the selection of candidate salts. The demand for consistent, accurate and publicly available thermophysical property data has become more apparent in recent years as interests have increased from molten salt reactor developers. There are a number of challenges in experimentally measuring properties such as thermal conductivity, viscosity, density and heat capacity , which have led to sparse and often times conflicting data points or molten salts in general. Additionally, there are a number of hazards to consider when synthesizing, storing, using, treating and disposing of molten salts. With the advances in computational capabilities over the last 10 years, the use of atomistic simulations can be implemented to support these efforts. The primary objective of this work is characterize the thermophysical transport properties in a number of molten chloride salts, and in particular NaCl-UCl 3 using ab-initio molecular dynamic (AIMD) simulations. In this binary salt the UCl 3 acts as the primary fissile material and NaCl acts as a carrier salt due with its’ high solubility for actinides A number of studies on the thermophysical properties of NaCl-UCl 3 have been published but there is not a vast amount of viscosity data for this system. In 1975, Desyatnik, et al published a study reporting dynamic viscosities that were calculated from kinematic viscosity measurements, and using the coefficients provided the viscosity in a 70:30 NaCl:UCl 3 mixture is 2.29 cP and 2.88 for a 60:40 mixture. Termini et al. recently reported viscosities in the range of 2.75 – 3 cP for the 63:37 NaCl-UCl 3 mixture in the same temperature range using rolling ball viscosity measurements. Computational viscosity of a similar mixture (64:36) can be obtained from the work Andersson et al. using the reported diffusion coefficients, and the hydrodynamic radius from the pair-radial distribution functions (RDFs). Using Eq (1) (vida infra), the viscosity would be 2.50 cP at 1100K. This is not to say that these values are incorrect due to the varying reported values, but aims to highlight the necessity of this work. The data reported in this ongoing work are computations on a 64:36 mixture of NaCl-UCl 3 at 987K. This work is likely to be expanded into varying concentrations of this mixture along with the inclusion of other salt candidate mixtures.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Metal-Organic Frameworks (MOFs) Containing Frustrated Lewis Pairs (FLP) for H 2 Storage at Ambient Temperature

This final technical report summarizes the key accomplishments of the HyMarc Seedling project to develop new materials based on metal-organic framework (MOF) incorporated with frustrated Lewis pairs (FLP) termed as FLP@MOF, as next-generation of hydrogen storage sorbent that can meet or exceed DOE’s 2025 performance target of hydrogen storage gravimetric density of 5.5 wt.% and volumetric density of 0.040 kg H 2 /L. The project was carried out by the PI Shengqian Ma at the University of North Texas (UNT) along with Argonne National Laboratory (ANL) to develop FLP@MOF systems that exhibit high hydrogen storage capacity at ambient temperature under pressure <100 bar, as well as to obtain improved fundamental understanding of hydrogen adsorption mechanism in FLP@MOF system.

08 HYDROGEN↗
DOE OSTI2026

Accelerated 133 Xe Quantification in Samples Containing Significant 133 mXe

The quantification of 133 Xe in the presence of its mother radionuclide 133 mXe requires the full quantification of both to perform the ingrowth correction for 133 Xe. Due to the nature of both of these radionuclides, the 133 mXe requires significantly more time to quantify by High Purity Germanium (HPGe) detectors due to lower production yields, lower gamma emission probabilities, and lower detection efficiencies. This work shows that 133 Xe and 133 mXe quantification can be accelerated by measuring the 133m:133 activity ratio for a large batch of material and applying this activity ratio to assays of lower activity subsamples of the same batch of material. Included in this report are derivations of the required decay correction equations, and experiments using actual samples to validate the performance of these equations. A detector calibration method is also shown that leverages this method as an alternative to existing calibration methods for 133 mXe quantification.

133mXe↗
DOE OSTI2026

Search for New Physics via EFT in collisions containing a top quark and a boosted Z or Higgs boson

We present a generator-level sensitivity study of physics beyond the Standard Model within the framework of Effective Field Theory (EFT). The targeted signal processes are single top quark production in association with a Lorentz-boosted Higgs or Z boson (tHq and tZq) in proton-proton collisions at a center-of-mass energy of 13.6 TeV. Event selection requires one electron or muon, a high-transverse-momentum, large-radius (AK8) jet reconstructing hadronic H → b̄b or Z → b̄b decays, at least two distinct, non-overlapping small-radius (AK4) jets with one originating from a b quark, and a missing transverse energy greater than 30 GeV. Signal and background samples are generated via Monte Carlo simulation using MadGraph with MadJax to perform EFT matrix-element calculations. Deviations from the Standard Model are parametrized through dimension-six EFT operators that probe modified top quark interactions. This generator-level study identifies kinematic observables with enhanced sensitivity to EFT operators and motivates future reconstruction-level analyses of tHq and tZq channels.

Meshramkar, Daniel [Baylor U., Waco]↗
DOE OSTI2026

Search for New Physics via EFT in collisions containing a top quark and a boosted Z or Higgs boson

We present a generator-level sensitivity study of physics beyond the Standard Model within the framework of Effective Field Theory (EFT). The targeted signal processes are single top quark production in association with a Lorentz-boosted Higgs or Z boson (tHq and tZq) in proton-proton collisions at a center-of-mass energy of 13.6 TeV. Event selection requires one electron or muon, a high-transverse-momentum, large-radius (AK8) jet reconstructing hadronic H → b̄b or Z → b̄b decays, at least two distinct, non-overlapping small-radius (AK4) jets with one originating from a b quark, and a missing transverse energy greater than 30 GeV. Signal and background samples are generated via Monte Carlo simulation using MadGraph with MadJax to perform EFT matrix-element calculations. Deviations from the Standard Model are parametrized through dimension-six EFT operators that probe modified top quark interactions. This generator-level study identifies kinematic observables with enhanced sensitivity to EFT operators and motivates future reconstruction-level analyses of tHq and tZq channels.

Meshramkar, Daniel [Baylor U., Waco]↗

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