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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

An experimental and kinetic modeling study of cyclopentane and dimethyl ether blends

Cyclopentane is a suitable naphthene, or cycloalkane, in a palette for multi-component gasoline surrogate fuels due to its presence in market fuels and its relevance to alkyl substituted cyclopentanes also present. However, the previous oxidation studies of cyclopentane have primarily focused on neat mixtures. Blending cyclopentane with dimethyl ether in this work therefore serves to inform our understanding of, and improve predictive models for, multi-component mixtures. Here, the auto-ignition of cyclopentane/dimethyl ether blends was studied in a high-pressure shock tube and in a rapid compression machine. A wide range of temperatures (650 – 1350 K) and elevated pressures of 20 and 40 bar were studied at equivalence ratios of 0.5, 1.0 and 2.0 in air for two blending ratios (30/70 and 70/30 mole% cyclopentane/di-methyl ether mixtures). A detailed kinetic model for cyclopentane was revised to capture the measured ignition delay times and apparent heat release rates in this study. Literature ignition delay time, jet-stirred reactor, and laminar burning velocity measurements of neat cyclopentane were used as additional validation. Improvements to the kinetic model were based on recent literature studies related to sub-models including cyclopentene and cyclopentadiene which allowed the removal of previous local rate-constant optimizations. Low temperature reactivity of cyclopentane was found to be controlled by the branching ratio between concerted elimination of HO͘ 2 and the strained formation of Q&#775OOH radicals in agreement with previous studies. In this study, the low branching ratio of Q&#775OOH formation increases the influence of a competing consumption pathway for cyclopentyl-peroxy (CPTO͘ 2 J) radicals. The sensitivity of the simulated ignition delay times to the formation of cyclopentyl hydroperoxide (CPTO 2 H), from CPTO͘ 2 J and HO͘ 2 , is discussed. The current model is used to analyze the influence of dimethyl ether on the reactivity of cyclopentane in the context of previous literature studies of dimethyl ether binary blends with ethanol and toluene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Transport coefficient sensitivities in a semi-analytic model for magnetized liner inertial fusion

Performance of magnetized liner inertial fusion (MagLIF) experiments is highly dependent on transport processes including magnetized heat flows and magnetic flux losses. Magnetohydrodynamic simulations used to model these experiments require a choice of model for the transport coefficients, which are the constants of proportionality relating driving terms, such as temperature gradients and currents, to the associated heat and magnetic field transport. The coefficients have been the subject of repeated recalculation using various methods throughout the years. Using a semi-analytic MagLIF model, we compare models for the transport coefficients. The choice of model modifies magnetic-flux losses caused by the Nernst thermoelectric effect and thermal conduction losses. We present simulated results from parameter scans conducted in order to compare the effects of the different models on parameters of interest in MagLIF. In some regions of parameter space, discrepancies of up to 38% are found in integrated quantities like the fusion yield. These results may serve as a guide for experimental validation of the various models, particularly as laser preheat energies and initial axial field strengths are increased on MagLIF experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Simulation of the 2003 Foss Barge - Point Wells Oil Spill: A Comparison between BLOSOM and GNOME Oil Spill Models

The Department of Energy’s (DOE’s) National Energy Technology Laboratory’s (NETL’s) Blowout and Spill Occurrence Model (BLOSOM), and the National Oceanic and Atmospheric Administration’s (NOAA’s) General NOAA Operational Modeling Environment (GNOME) are compared. Increasingly complex simulations are used to assess similarities and differences between the two models’ components. The simulations presented here are forced by ocean currents from a Finite Volume Community Ocean Model (FVCOM) implementation that has excellent skill in representing tidal motion, and with observed wind data that compensates for a coarse vertical ocean model resolution. The comprehensive comparison between GNOME and BLOSOM presented here, should aid modelers in interpreting their results. Beyond many similarities, aspects where both models are distinct are highlighted. Some suggestions for improvement are included, e.g., the inclusion of temporal interpolation of the forcing fields (BLOSOM) or the inclusion of a deflection angle option when parameterizing wind-driven processes (GNOME). Overall, GNOME and BLOSOM perform similarly, and are found to be complementary oil spill models. This paper also sheds light on what drove the historical Point Wells spill, and serves the additional purpose of being a learning resource for those interested in oil spill modeling. The increasingly complex approach used for the comparison is also used, in parallel, to illustrate the approach an oil spill modeler would typically follow when trying to hindcast or forecast an oil spill, including detailed technical information on basic aspects, like choosing a computational time step. We discuss our successful hindcast of the 2003 Point Wells oil spill that, to our knowledge, had remained unexplained. The oil spill models’ solutions are compared to the historical Point Wells’ oil trajectory, in time and space, as determined from overflight information. Our hindcast broadly replicates the correct locations at the correct times, using accurate tide and wind forcing. While the choice of wind coefficient we use is unconventional, a simplified analytic model supported by observations, suggests that it is justified under this study’s circumstances. We highlight some of the key oceanographic findings as they may relate to other oil spills, and to the regional oceanography of the Salish Sea, including recommendations for future studies.

42 ENGINEERING↗
DOE OSTI2024

A system identification approach for non-intrusive reduced order modeling of radiation-induced photocurrents

In this study, development of compact photocurrent models is currently dominated by analytical techniques that rely on physical assumptions to render the governing equations solvable in a closed form. Violation of these assumptions can reduce the accuracy of the models and/or limit their scope. In this paper we show that system identification of nonlinear state-space systems can serve as an alternative numerical basis for non-intrusive reduced order modeling of photocurrent effects. To that end we develop a compact gray box photocurrent model (GBPM) by using a state-space representation with a low-dimensional latent state equation that mimics a mathematical model for the response of an idealized class of devices to ionizing radiation. In so doing we obtain a model that learns the dynamics of a quantity of interest directly from its measurements without requiring snapshots of the internal device state or its discretized model, and can be inferred from very small data sets. To demonstrate the approach we train the GBPM using a small experimental data set for a Z5236 Zener diode and a small synthetic data set obtained by simulating a synthetic pn-junction device. We then compare the GBPMs with black box models trained on the same data and show that performance of the latter is limited by the size of the data set, while the former are able to achieve excellent performance in both the reproductive and the predictive regimes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Strain Measurement of Geological Samples Subjected to Triaxial Stresses Experienced During Hydraulic Loading

Understanding stress and strain relationships and having the ability to predict these quantities for known load conditions is crucial to all geomechanical and, in some instances, reservoir flow applications. The constitutive equations governing the deformation of geological materials are typically adequate for bulk or large scale deformation and stress analyses. However, these rules are generally less precise in their ability to make accurate predictions in physical processes where highly localized material heterogeneity exists or where the presence of geometric irregularities such as micro-cracks may be present. This is especially relevant to EGS where hydraulic fracture propagation models are needed to develop optimal reservoir creation strategies and where fracture permeability is significantly influenced by regional stress states and may affect reservoir operation strategies. The deficiencies of the models used to describe these physical processes are a practical reality necessitated by the manner in which rock properties must be obtained. Conventional rock mechanics tests subject samples to controlled load conditions and measure bulk deformations of the sample or more localized deformations only on exposed surfaces of the sample. They are currently unable to comprehensively map the deformation state within the sample. For processes such as fracture, however, the state of a particular region within the rock drives the overall failure behavior of the sample. The authors believe that possessing a means to measure strains within samples subjected to hydraulic fracture loading conditions will provide a useful tool for understanding the localized effects not captured by conventional techniques and may serve as a method for improving hydraulic fracture models. An ongoing effort at Oak Ridge National Laboratory endeavors to develop a neutron diffraction based strain measurement capability to interrogate the strain state of a geological sample, at arbitrary internal locations, subjected to a triaxial stress state. The basis of the method and initial results for simple load conditions were reported at last year s Stanford Geothermal Workshop. This work will report results from recent neutron diffraction strain measurement experiments in which marble samples were subjected to load conditions more representative of hydraulic fracturing operations within a pressure cell specially designed for the reported strain measurement technique.

An, Ke↗
DOE OSTI2021

Cosmological constraints from DES Y1 cluster abundances and SPT multiwavelength data

We perform a joint analysis of the counts of redMaPPer clusters selected from the Dark Energy Survey (DES) year 1 data and multiwavelength follow-up data collected within the 2500 deg2 South Pole Telescope (SPT) Sunyaev-Zel’dovich (SZ) survey. The SPT follow-up data, calibrating the richness-mass relation of the optically selected redMaPPer catalog, enable the cosmological exploitation of the DES cluster abundance data. To explore possible systematics related to the modeling of projection effects, we consider two calibrations of the observational scatter on richness estimates: a simple Gaussian model which account only for the background contamination (BKG), and a model which further includes contamination and incompleteness due to projection effects (PRJ). Assuming either a ΛCDM+∑mν or wCDM+∑mν cosmology, and for both scatter models, we derive cosmological constraints consistent with multiple cosmological probes of the low and high redshift Universe, and in particular with the SPT cluster abundance data. This result demonstrates that the DES Y1 and SPT cluster counts provide consistent cosmological constraints, if the same mass calibration data set is adopted. It thus supports the conclusion of the DES Y1 cluster cosmology analysis which interprets the tension observed with other cosmological probes in terms of systematics affecting the stacked weak lensing analysis of optically selected low–richness clusters. Finally, we analyze the first combined optically SZ selected cluster catalog obtained by including the SPT sample above the maximum redshift probed by the DES Y1 redMaPPer sample (z=0.65). Besides providing a mild improvement of the cosmological constraints, this data combination serves as a stricter test of our scatter models: the PRJ model, providing scaling relations consistent between the two abundance and multiwavelength follow-up data, is favored over the BKG model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

A radioisotope - enabled reactive transport model for deep vadose zone carbon

In mountainous regions, which constitute the principle source of recharge to major rivers and regional aquifers, infiltration occurs through fractured, partially saturated, weathered bedrock that acts as a boundary layer between saturated aquifers and surface soil. Commonly this deep vadose zone (DVZ) is many meters thick, and yet its role in regulating the generation, retention and mobility of reactive solutes, including nutrients, contaminants and weathering products, is largely unknown. In particular, many of the key reactions that drive the formation of the weathered DVZ and the quality of water moving through it are redox processes, regulated by the availability of organic carbon and oxygen below the soil layer. The role of the DVZ is thus also poorly constrained in the context of carbon stocks and mobility, particularly in lithologies that are naturally high in organic carbon, such as shales. The overarching hypothesis of this study is that upland regions developed in geologic settings with abundant petrogenic carbon store and actively cycle carbon in the weathered DVZ below the soil and above the water table at rates that are significant and currently unconstrained. In order to quantify this cycling, the current study combines novel instrumentation techniques allowing new direct sampling of DVZ systems with advanced numerical reactive transport simulations of carbon transport and transformation. Critically, these simulations will explicitly treat the three isotopes of carbon (the abundant 12C, the stable rare 13C and the radioactive 14C) in a unified framework, thus clearly parsing between the contributions of modern surface derived carbon and lithologic carbon sources in integrated measurements of fluid and gas phase fluxes. This novel model capability will be applied to test the role of DVZ carbon cycling as a regulator of water quality and geological weathering in two complementary field sites both located in organic carbon rich shale lithologies. The first is the Eel River Critical Zone Observatory (ERCZO) in Mendocino County, California, and the second is the Lawrence Berkeley National Laboratory Watershed Function Scientific Focus Area (SFA) in the East River watershed, near Crested Butte, Colorado. At the ERCZO, a novel vadose zone monitoring system has been installed in a 20 m thick, partially saturated, weathered shale hillslope, and preliminary data already indicate substantial CO2 flux generated many meters below the soil surface. At the SFA field site, an instrumented hillslope transect indicates a more complex multi-dimensional fluid and solute transport regime, which will serve as a key test of the calibrated models. Collectively, this project will advance understanding of the cycling of carbon belowground and in relation to transport pathways across the poorly constrained DVZ characteristic of primary water recharge areas. The key product of this work will be enhanced isotope simulation capabilities that are robust and publicly available for application across a broad diversity of systems.

58 GEOSCIENCES↗
DOE OSTI2012

Cytotoxic T lymphocyte-dependent tumor growth inhibition by a vascular endothelial growth factor-superantigen conjugate

Highlights: Black-Right-Pointing-Pointer We construct and purify a fusion protein VEGF-SEA. Black-Right-Pointing-Pointer VEGF-SEA strongly repressed the growth of murine solid sarcoma 180 (S180) tumors. Black-Right-Pointing-Pointer T cells driven by VEGF-SEA were accumulated around tumor cells bearing VEGFR by mice image model. Black-Right-Pointing-Pointer VEGF-SEA can serve as a tumor targeting agent and sequester CTLs into the tumor site. Black-Right-Pointing-Pointer The induced CTLs could release the cytokines, perforins and granzyme B to kill the tumor cells. -- Abstract: T cells are major lymphocytes in the blood and passengers across the tumor vasculature. If these T cells are retained in the tumor site, a therapeutic potential will be gained by turning them into tumor-reactive cytotoxic T lymphocytes (CTLs). A fusion protein composed of human vascular endothelial growth factor (VEGF) and staphylococcal enterotoxin A (SEA) with a D227A mutation strongly repressed the growth of murine solid sarcoma 180 (S180) tumors (control versus VEGF-SEA treated with 15 {mu}g, mean tumor weight: 1.128 g versus 0.252 g, difference = 0.876 g). CD4{sup +} and CD8{sup +} T cells driven by VEGF-SEA were accumulated around VEGFR expressing tumor cells and the induced CTLs could release the tumoricidal cytokines, such as interferon-gamma (IFN-gamma) and tumor necrosis factor-alpha (TNF-alpha). Meanwhile, intratumoral CTLs secreted cytolytic pore-forming perforin and granzyme B proteins around tumor cells, leading to the death of tumor cells. The labeled fusion proteins were gradually targeted to the tumor site in an imaging mice model. These results show that VEGF-SEA can serve as a tumor targeting agent and sequester active infiltrating CTLs into the tumor site to kill tumor cells, and could therefore be a potential therapeutical drug for a variety of cancers.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Simulation-based assessment of ASHRAE Guideline 36, considering energy performance, indoor air quality, and control stability

This study assesses American Society of Heating, Refrigerating and Air-Conditioning Engineers Guideline 36 (G36) with a typical medium office building. Specifically, this study employed a Modelica model of a variable air volume (VAV) system that serves this building, which includes components for representing indoor virus transmission and filtration. It then implemented the G36 control sequences for both water-side and air-side equipment in Python. After that, this study conducted the assessment by co-simulating G36 and the Modelica model using the Building Operations Testing Framework. Unlike existing works, this work has three unique features: (1) It considers the interactions between control sequences for water-side and air-side equipment of the studied VAV system. (2) It assesses the performance of G36 from the perspective of IAQ. (3) It examines the short-term behaviors of the studied building under G36 to understand the control stability. This assessment confirms significant energy savings from G36, largely because of the interaction between supply air temperature and hot water controls. It also reveals a trade-off between the ability to slow the spread of virus and the energy performance via demand controlled ventilation. Lastly, it emphasizes the necessity of tuning local feedback control when implementing G36.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Biosecurity through Public Health System Design.

We applied modeling and simulation to examine the real-world tradeoffs between developingcountry public-health improvement and the need to improve the identification, tracking, and security of agents with bio-weapons potential. Traditionally, the international community has applied facility-focused strategies for improving biosecurity and biosafety. This work examines how system-level assessments and improvements can foster biosecurity and biosafety. We modeled medical laboratory resources and capabilities to identify scenarios where biosurveillance goals are transparently aligned with public health needs, and resource are distributed in a way that maximizes their ability to serve patients while minimizing security a nd safety risks. Our modeling platform simulates key processes involved in healthcare system operation, such as sample collection, transport, and analysis at medical laboratories. The research reported here extends the prior art by provided two key compone nts for comparative performance assessment: a model of patient interaction dynamics, and the capability to perform uncertainty quantification. In addition, we have outlined a process for incorporating quantitative biosecurity and biosafety risk measures. Two test problems were used to exercise these research products examine (a) Systemic effects of technological innovation and (b) Right -sizing of laboratory networks.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Test Problem: Tilted Rayleigh-Taylor for 2-D Mixing Studies

The 'tilted-rig' test problem originates from a series of experiments (Smeeton & Youngs, 1987, Youngs, 1989) performed at AWE in the late 1980's, that followed from the 'rocket-rig' experiments (Burrows et al., 1984; Read & Youngs, 1983), and exploratory experiments performed at Imperial College (Andrews, 1986; Andrews and Spalding, 1990). A schematic of the experiment is shown in Figure 1, and comprises a tank filled with light fluid above heavy, and then 'tilted' on one side of the apparatus, thus causing an 'angled interface' to the acceleration history due to rockets. Details of the configuration given in the next chapter include: fluids, dimensions, and other necessary details to simulate the experiment. Figure 2 shows results from two experiments, Case 110 (which is the source for this test problem) that has an Atwood number of 0.5, and Case 115 (a secondary source described in Appendix B), with Atwood of 0.9 Inspection of the photograph in Figure 2 (the main experimental diagnostic) for Case 110. reveals two main areas for mix development; 1) a large-scale overturning motion that produces a rising plume (spike) on the left, and falling plume (bubble) on the right, that are almost symmetric; and 2) a Rayleigh-Taylor driven mixing central mixing region that has a large-scale rotation associated with the rising and falling plumes, and also experiences lateral strain due to stretching of the interface by the plumes, and shear across the interface due to upper fluid moving downward and to the right, and lower fluid moving upward and to the left. Case 115 is similar but differs by a much larger Atwood of 0.9 that drives a strong asymmetry between a left side heavy spike penetration and a right side light bubble penetration. Case 110 is chosen as the source for the present test problem as the fluids have low surface tension (unlike Case 115) due the addition of a surfactant, the asymmetry small (no need to have fine grids for the spike), and there is extensive reasonable quality photographic data. The photographs in Figure 2 also reveal the appearance of a boundary layer at the left and right walls; this boundary layer has not been included in the test problem as preliminary calculations suggested it had a negligible effect on plume penetration and RT mixing. The significance of this test problem is that, unlike planar RT experiments such as the Rocket-Rig (Youngs, 1984), Linear Electric Motor - LEM (Dimonte, 1990), or the Water Tunnel (Andrews, 1992), the Tilted-Rig is a unique two-dimensional RT mixing experiment that has experimental data and now (in this TP) Direct Numerical Simulation data from Livescu and Wei. The availability of DNS data for the tilted-rig has made this TP viable as it provides detailed results for comparison purposes. The purpose of the test problem is to provide 3D simulation results, validated by comparison with experiment, which can be used for the development and validation of 2D RANS models. When such models are applied to 2D flows, various physics issues are raised such as double counting, combined buoyancy and shear, and 2-D strain, which have not yet been adequately addressed. The current objective of the test problem is to compare key results, which are needed for RANS model validation, obtained from high-Reynolds number DNS, high-resolution ILES or LES with explicit sub-grid-scale models. The experiment is incompressible and so is directly suitable for algorithms that are designed for incompressible flows (e.g. pressure correction algorithms with multi-grid); however, we have extended the TP so that compressible algorithms, run at low Mach number, may also be used if careful consideration is given to initial pressure fields. Thus, this TP serves as a useful tool for incompressible and compressible simulation codes, and mathematical models. In the remainder of this TP we provide a detailed specification; the next section provides the underlying assumptions for the TP, fluids, geometry details, boundary conditions (and alternative set-ups), initial conditions, and acceleration history (and ways to treat the acceleration ramp at the start of the experiment). This is followed by a section that defines data to be collected from the simulations, with results from the experiments and DNS from Livescu using the CFDNS code, and ILES simulations from Youngs using the compressible TURMOIL code and Andrews using the incompressible RTI3D code. We close the TP with concluding remarks, and Appendices that includes details of the sister Case 115, initial condition specifications for density and pressure fields. The Tilted-Rig Test Problem is intended to serve as a validation problem for RANS models, and as such we have provided ILES and DNS simulations in support of the test problem definition. The generally good agreement between experiment, ILES and DNS supports our assertion that the Tilted-Rig is useful, and the only 2-D TP that can be used to validate RANS models.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Simulation of natural circulation cartridge loop experiments and application to molten salt reactors

This work uses the TRAC/RELAP Advanced Computational Engine (TRACE) thermal hydraulics (TH) code to model natural circulation cartridge loop experiments previously conducted at Oak Ridge National Laboratory (ORNL) using water and compares the simulated and experimental results. TRACE is also used to characterize natural circulation in the cartridge loop vehicle using FLiNaK as the working fluid. The experimental vehicle is a buoyancy-aided, annular cartridge loop, referred to as a thermosyphon, and is designed to aid in qualifying liquid–fueled and/or liquid–cooled irradiation experiments for the Versatile Test Reactor (VTR), which is currently being designed in the United States. Out-of-pile water experiments have been conducted using the cartridge and the Thermosyphon Test Loop facility at ORNL, and future experiments are anticipated that would use other molten salt surrogates as the working fluid, followed by eventual insertion of a similar cartridge into VTR. Additionally, this work aims to determine how well TRACE can replicate the natural convection conditions that were observed experimentally; this serves as an initial step for validating the modeling tool for design and safety calculations to support future irradiation experiments in VTR. Initial predictions of potential experiments were made using FLiNaK as the natural circulation fluid to demonstrate the relevance of the cartridge design to molten salt reactors (MSRs). Results from this study indicate that TRACE can accurately capture natural convection phenomena in the thermosyphon and that several design changes to the current cartridge vehicle are necessary to achieve hydraulic conditions similar to those expected in MSRs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Dynamic embedding of effective harmonic normal mode vibrations in all-atomistic energy gap fluctuations: Case study of light harvesting 2 complex

Environmental effects in excitation energy transfer have mostly been modeled by baths of harmonic oscillators, but to what extent such modeling provides a reliable description of actual interactions between molecular systems and environments remains an open issue. Here, we address this issue by investigating fluctuations in the excitation energies of the light harvesting 2 complex using a realistic all-atomistic simulation of the potential energy surface. Our analyses reveal that molecular motions exhibit significant anharmonic features, even for underdamped intramolecular vibrations. In particular, we find that the anharmonicity contributes to the broadening of spectral densities and substantial overlaps between neighboring peaks, which complicates the meaning of mode frequencies constituting a bath model. Thus, we develop a strategy to construct a minimally underdamped harmonic bath that has a clear connection to all-atomistic dynamics by utilizing actual normal modes of molecules but optimizing their frequencies such that the resulting bath model can best reproduce the all-atomistic simulation results. By subtracting the underdamped contribution from the entire fluctuations, we also show that identifying a residual spectral density representing all other contributions with overdamped behavior is possible. We find that this can be fitted well with a well-established analytic form of a spectral density function or, alternatively, modeled as explicit time dependent fluctuations with muti-exponential or power law type correlation functions. We provide an assessment and the implications of these possibilities. The approach presented here can also serve as a general strategy to construct a simplified bath model that can effectively represent the underlying all-atomistic bath dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Observation of D 2 molecule line emission after massive D 2 injection into runaway electron plateaus in DIII-D

Molecular deuterium line emission is observed in both the visible and ultraviolet (UV) wavelength ranges after massive (> 100 Torr-L) injection of D 2 gas into post-disruption runaway electron (RE) dominated plasmas in the DIII-D tokamak. D 2 UV line emission is found to be the dominant source of radiated power, surpassing D Lyα. Interpretive modeling with a collisional-radiative model (CRM) indicates that D 2 radiation surpasses D radiation because Lyα is strongly trapped, while D 2 UV lines are mostly untrapped. The CRM also indicates that the D 2 line emission is completely dominated by RE impact (rather than thermal electron impact), so the D 2 line emission can serve as a good diagnostic for the spatial localization of REs. Analysis of D 2 visible lines indicates that the D 2 molecules in the plasma are thermally equilibrated with the background plasma, with vibrational, rotational, and kinetic temperatures all near 0.3 eV. D 2 spectroscopy therefore serves as a convenient diagnostic of background plasma temperature. As a result, measurement of D 2 radiated power also appears to serve as a useful diagnostic for constraining neutral transport modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways

S-adenosyl-L-methionine (AdoMet) is an essential enzyme cosubstrate in fundamental biology with an expanding range of biocatalytic and therapeutic applications. We report the design, synthesis and evaluation of stable, functional AdoMet isosteres that are resistant to the primary contributors to AdoMet degradation (depurination, intramolecular cyclization and sulfonium epimerization). Corresponding biochemical and structural studies demonstrate the AdoMet surrogates to serve as competent enzyme cosubstrates and to bind a prototypical class I model methyltransferase (DnrK) in a manner nearly identical to AdoMet. Given this conservation in function and molecular recognition, the isosteres presented are anticipated to serve as useful surrogates in other AdoMet-dependent processes and may also be resistant to, and/or potentially even inhibit, other therapeutically relevant AdoMet-dependent metabolic transformations (such as the validated drug target AdoMet decarboxylase). This work also highlights the ability of the prototypical class I model methyltransferase DnrK to accept non-native surrogate acceptors as an enabling feature of a new high-throughput methyltransferase assay.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Variational quantum and neural quantum states algorithms for the linear complementarity problem

Variational quantum algorithms (VQAs) are promising hybrid quantum-classical methods designed to leverage the computational advantages of quantum computing while mitigating the limitations of current noisy intermediate-scale quantum (NISQ) hardware. Although VQAs have been demonstrated as proofs of concept, their practical utility in solving real-world problems—and whether quantum-inspired classical algorithms can match their performance—remains an open question. We present a novel application of the variational quantum linear solver (VQLS) and its classical neural quantum states-based counterpart, the variational neural linear solver (VNLS), as key components within a minimum map Newton solver for a complementarity-based rigid-body contact model. We demonstrate using the VNLS that our solver accurately simulates the dynamics of rigid spherical bodies during collision events. These results suggest that quantum and quantum-inspired linear algebra algorithms can serve as viable alternatives to standard linear algebra solvers for modelling certain physical systems.

neural quantum states↗
DOE OSTI2013

Annihilation of singlet fermionic dark matter into two photons

We consider an extension of the standard model in which a singlet fermionic particle, to serve as cold dark matter, and a singlet Higgs are added. We perform a reanalysis on the free parameters. In particular, demanding a correct relic abundance of dark matter, we derive and plot the coupling of the singlet fermion with the singlet Higgs, g{sub s}, versus the dark matter mass. We analytically compute the pair annihilation cross section of singlet fermionic dark matter into two photons. The thermally averaged of this cross section is calculated for wide range of energies and plotted versus dark matter mass using g{sub s} consistent with the relic abundance condition. We also compare our results with the Fermi-Lat observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Modeling, Validation, and Control of the IEA‐15 MW Reference Wind Turbine and VolturnUS‐S Platform

This paper presents the acausal modeling, validation, and control of floating offshore wind turbines (FOWTs). The model simulates the IEA‐15 MW reference turbine and the semi‐submersible VolturnUS‐S platform utilizing a Control‐oriented, Reconfigurable, and Acausal Floating Turbine Simulator (CRAFTS), which integrates the key coupled aero‐hydro‐elasto‐servo dynamics and is being developed by authors at the University of Central Florida. Verification and validation are conducted using numerical data from the industry‐standard simulation platform OpenFAST and experimental data from the Floating Offshore‐wind and Controls Advanced Laboratory (FOCAL) project, in which the authors were involved. Numerical results demonstrate the model's ability to qualitatively capture loads and responses across various load cases, highlighting the impact of the control system under different wind and wave conditions and opening new opportunities for optimizing FOWT designs. This paper provides wind turbine researchers with valuable insights into system characteristics, system frequencies, damping effects, and internal reaction forces, serving as a reference for future studies in FOWT modeling and control.

17 WIND ENERGY↗