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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Infinite neural network quantum states: entanglement and training dynamics

We study infinite limits of neural network quantum states (∞-NNQS), which exhibit representation power through ensemble statistics, and also tractable gradient descent dynamics. Ensemble averages of entanglement entropies are expressed in terms of neural network correlators, and architectures that exhibit volume-law entanglement are presented. The analytic calculations of entanglement entropy bound are tractable because the ensemble statistics are simplified in the Gaussian process limit. A general framework is developed for studying the gradient descent dynamics of neural network quantum states (NNQS), using a quantum state neural tangent kernel (QS-NTK). For ∞-NNQS the training dynamics is simplified, since the QS-NTK becomes deterministic and constant. An analytic solution is derived for quantum state supervised learning, which allows an ∞-NNQS to recover any target wavefunction. Numerical experiments on finite and infinite NNQS in the transverse field Ising model and Fermi Hubbard model demonstrate excellent agreement with theory. ∞-NNQS opens up new opportunities for studying entanglement and training dynamics in other physics applications, such as in finding ground states.

quantum state supervised learning↗
DOE OSTI2025

Review of Grey Box/Black Box Data Contamination Metrics on Open and Commercial Models

Dataset contamination is a problem where benchmarks and tasks used to evaluate the capabilities of Large Language Models (LLMs) have been incorporated into the training dataset of the models. This gives a false sense of performance that can overestimate how these models will function on truly unseen data. This problem becomes worse with commercial LLMs with larger and non-accessible training data, so techniques have been developed to try to measure the degree to which a model is contaminated with a benchmark’s data. To understand the effectiveness of these techniques, particularly when evaluating contamination on coding tasks, we review trends and categorize techniques by the degree of access to the model that is required. The research literature on this topic has reported mixed effectiveness of these techniques, so we select a set of black box (text access only) and grey box (access to model loss/probabilities required) techniques and apply them to both commercial and non-commercial models. We implement these metrics as part of a framework to test the contamination of Python code in LLMs to see to what extent we can replicate the effectiveness (or ineffectiveness) of these contamination detection techniques. Though we find mixed results in the capabilities of these metrics to identify contamination, we do observe evidence that they can identify contamination (broadly) in fine-tuned models when both a baseline and fine-tuned model is present. Additionally, similarity metrics were able to identify between contaminated and uncontaminated data even in situations where the data is distributionally similar (e.g., drawn from the same set of code projects).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Solar fusion III: New data and theory for hydrogen-burning stars

In stars that lie on the main sequence in the Hertzsprung-Russell diagram, like our Sun, hydrogen is fused to helium in a number of nuclear reaction chains and series, such as the proton-proton chain and the carbon-nitrogen-oxygen cycles. Precisely determined thermonuclear rates of these reactions lie at the foundation of the standard solar model. This review, the third decadal evaluation of the nuclear physics of hydrogen-burning stars, is motivated by the great advances made in recent years by solar neutrino observatories, putting experimental knowledge of the proton-proton (𝑝⁢𝑝)-chain neutrino fluxes in the few-percent precision range. The basis of the review is a one-week community meeting held in July 2022 in Berkeley, California, and many subsequent digital meetings and exchanges. The relevant reactions of solar and stellar hydrogen burning are reviewed here from both theoretical and experimental perspectives. Recommendations for the state of the art of the astrophysical 𝑆 factor and its uncertainty are formulated for each of them. Furthermore, several other topics of paramount importance for the solar model are reviewed as well: recent and future neutrino experiments, electron screening, radiative opacities, and current and upcoming experimental facilities. In addition to reaction-specific recommendations, general recommendations are also formed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

The Dark Energy Survey: more than dark energy – an overview

This overview paper describes the legacy prospect and discovery potential of the Dark Energy Survey (DES) beyond cosmological studies, illustrating it with examples from the DES early data. DES is using a wide-field camera (DECam) on the 4 m Blanco Telescope in Chile to image 5000 sq deg of the sky in five filters (grizY). By its completion, the survey is expected to have generated a catalogue of 300 million galaxies with photometric redshifts and 100 million stars. In addition, a time-domain survey search over 27 sq deg is expected to yield a sample of thousands of Type Ia supernovae and other transients. The main goals of DES are to characterize dark energy and dark matter, and to test alternative models of gravity; these goals will be pursued by studying large-scale structure, cluster counts, weak gravitational lensing and Type Ia supernovae. However, DES also provides a rich data set which allows us to study many other aspects of astrophysics. In this paper, we focus on additional science with DES, emphasizing areas where the survey makes a difference with respect to other current surveys. The paper illustrates, using early data (from ‘Science Verification’, and from the first, second and third seasons of observations), what DES can tell us about the Solar system, the Milky Way, galaxy evolution, quasars and other topics. In addition, we show that if the cosmological model is assumed to be Λ+cold dark matter, then important astrophysics can be deduced from the primary DES probes. Highlights from DES early data include the discovery of 34 trans-Neptunian objects, 17 dwarf satellites of the Milky Way, one published z > 6 quasar (and more confirmed) and two published superluminous supernovae (and more confirmed).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Recovery Act - Measurement of Parity Violation in Deep Inelastic Scattering and Studies of the Nucleon Spin Structure at JLab 6 and 11 GeV

The program proposed contains two ingredients which aim to address aspects of two of the three research frontiers of nuclear science as identified in the 2007 NSAC Long Range Plan. The first topic, a test of the current Standard Model, is an ongoing project focusing on measurements of the parity-violating asymmetry in ~e-2H deep inelastic scattering (PVDIS). The PVDIS measurement is complementary to other completed or ongoing low- to medium-energy tests of the Standard Model. As the first, exploratory, step, an experiment using a 6 GeV electron beam will be carried out from October to December 2009 at the Thomas Jefferson National Accelerator Facility (JLab). Meanwhile, a program using the upgraded JLab 11 GeV beam is being planned. The PVDIS program as a whole will provide the first precision data on the axial quark neutral-weak coupling constants. This will either put the current Standard Model to a test that has never been done before, or reveal information on where to look for New Physics beyond the current Standard Model. The PVDIS program will also provide results on hadronic physics effects such as charge symmetry violation. The second part of the proposed program uses spin observables to address the research frontier concerning QCD and structure of the nucleon. An experiment using the JLab 6 GeV beam in 2001 showed that, contrary to predictions from perturbative quantum chromodynamics (pQCD), while the valence up quark’s spin is parallel to the nucleon’s spin, the valence down quark’s spin is not. In order to test the limit of QCD in describing the nucleon spin structure to a region beyond the 6 GeV kinematics, this measurement will be extended to a more energetic, “deeper” valence quark region using the upgraded JLab 11 GeV beam with a polarized 3 He target. Although the two topics of the proposed program appear to focus on different physics, for the upgraded JLab 11 GeV beam, both will utilize a new, yet-to-be-built large acceptance spectrometer, called “SoLID”. Once built, SoLID can be used for other topics such as using PVDIS on a proton target to measure the valence quark distributions, using PVDIS on a polarized target to measure new electro-weak interference structure functions of the nucleon, and semi-inclusive deep inelastic scattering experiments. SoLID will greatly enhance the exploration potential of JLab. The proposed program will first focus on completion of the 6 GeV PVDIS experiment, its data analysis and publishing physics results. This 6 GeV experiment will explore whether precision PVDIS measurements are feasible, will set limits on the hadronic physics effects, and will improve our knowledge on the quark neutral weak couplings, optimally by a factor of six. Starting early 2010, efforts will be spent on preparation for the 11 GeV program, focusing on simulations of SoLID, optimization and construction of the SoLID detector package, and studies of the polarized 3 He target and its improvements. Funding support for the whole program is requested here.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

A unified framework for polycrystal plasticity with grain boundary evolution

Plastic deformation in polycrystals is governed by the interplay between intra-granular slip and grain boundary-mediated plasticity. However, while the role played by bulk dislocations is relatively well-understood, the contribution of grain boundaries (GBs) has only recently begun to be studied. GB plasticity is known to play a key role along with bulk plasticity under a wide range of conditions, such as dynamic recovery, superplasticity, severe plastic deformation, etc., and developing models capable of simultaneously capturing GB and bulk plasticity has become a topic of high relevance. In this paper we develop a thermodynamically-consistent polycrystal plasticity model capable of simulating a variety of grain boundary-mediated plastic processes in conjunction with bulk dislocation slip. The model starts from the description of a single crystal and creates lattice strain-free polycrystalline configurations by using a specially-designed multiplicative decomposition developed by the authors. This leads to the introduction of a particular class of geometrically necessary dislocations (GND) that define fundamental GB features such as misorientation and inclination. The evolution of the system is based on an energy functional that uses a non-standard function of the GND tensor to account for the grain boundary energy, as well as for the standard elastic energy. Our implementation builds on smooth descriptions of GBs inspired on diffuse-interface models of grain evolution for numerical convenience. Here we demonstrate the generality and potential of the methodology by simulating a wide variety of phenomena such as shear-induced GB sliding, coupled GB motion, curvature-induced grain rotation and shrinkage, and polygonization via dislocation sub-grain formation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Research Priorities to Incorporate Terrestrial-Aquatic Interfaces in Earth System Models. Workshop Report, September 7-9, 2016

The terrestrial-aquatic interface (TAI) is a highly dynamic component of the Earth system, developed from a near balance between terrestrial and aquatic conditions and forming unique processes and community assemblages. Furthermore, TAIs are known to play a critical role in carbon biogeochemical cycling and have the potential to provide major feedbacks to the Earth system (e.g., methane production). However, there is a lack of basic data and multiscale models to adequately describe how a changing climate can influence the key processes (also an unknown) related to Earth system–relevant feedbacks in these unique, ubiquitous ecosystems. In general, Earth system models (ESMs) have excluded TAI ecosystem processes, thus creating tremendous uncertainty as to how TAIs will influence climate feedbacks across a range of scales, spanning from local to global. For example, ESMs represent wetlands very simplistically at best (e.g., the Accelerated Climate Modeling for Energy project) and include only a static fraction of dry land or open water, entirely lacking key processes in these hybrid areas and critical climate and biological feedbacks between land and water. This new area of research, therefore, must integrate a variety of important research topics—plants, soil, hydrology, reactive transport, microbiology, genomics, and modeling—into a systems-level understanding that can be extended to improve predictive modeling capabilities. The goal of the September 2016 Research Priorities to Incorporate Terrestrial-Aquatic Interfaces in Earth System Models Workshop was to engage the scientific community in an open discussion about critical scientific gaps. These gaps and research topics demand immediate field investigations to gather data for representing these important, yet understudied and underrepresented, ecosystems in ESMs. Workshop results will inform the U.S. Department of Energy’s Office of Biological and Environmental Research (BER) as it plans and prepares for future research efforts that address the TAI gap through model-informed and model-inspired field studies. The resulting data will enable iterative refinement of high-resolution, next-generation ESMs. Specifically, the workshop (1) summarized past and current field, process, and modeling TAI research; (2) identified critical sensitivities and uncertainties in the systems; (3) identified key processes, traits, existing data, and environmental variables needed to adequately characterize these systems; and (4) discussed idealized strategies that couple models and experiments to advance the state of the science in TAI modeling, including potential experiments that would test and improve land model fidelity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

2012 Gordon Research Conference on Cellular and Molecular Fungal Biology, Final Progress Report

The Gordon Research Conference on Cellular and Molecular Fungal Biology was held at Holderness School, Holderness New Hampshire, June 17 - 22, 2012. The 2012 Gordon Conference on Cellular and Molecular Fungal Biology (CMFB) will present the latest, cutting-edge research on the exciting and growing field of molecular and cellular aspects of fungal biology. Topics will range from yeast to filamentous fungi, from model systems to economically important organisms, and from saprophytes and commensals to pathogens of plants and animals. The CMFB conference will feature a wide range of topics including systems biology, cell biology and morphogenesis, organismal interactions, genome organisation and regulation, pathogenesis, energy metabolism, biomass production and population genomics. The Conference was well-attended with 136 participants. Gordon Research Conferences does not permit publication of meeting proceedings.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Job Management with mpi_jm

About this book: This book constitutes the refereed post-conference proceedings of 13 workshops held at the 33rd International ISC High Performance 2018 Conference, in Frankfurt, Germany, in June 2018: HPC I/O in the Data Center, HPC-IODC 2018; Workshop on Performance and Scalability of Storage Systems, WOPSSS 2018; 13th Workshop on Virtualization in High­-Performance Cloud Computing, VHPC 2018; Third International Workshop on In Situ Visualization, WOIV 2018; 4th International Workshop on Communication Architectures for HPC, Big Data, Deep Learning and Clouds at Extreme Scale, ExaComm 2018; International Workshop on OpenPOWER for HPC, IWOPH 2018; IXPUG Workshop: Many-Core Computing on Intel Processors; Workshop on Sustainable Ultrascale Computing Systems; Approximate and Transprecision Computing on Emerging Technologies, ATCET 2018; First Workshop on the Convergence of Large-Scale Simulation and Artificial Intelligence; Third Workshop for Open Source Supercomputing, OpenSuCo 2018; First Workshop on Interactive High-Performance Computing; Workshop on Performance Portable Programming Models for Accelerators, P^3MA 2018. The 53 full papers included in this volume were carefully reviewed and selected from 80 submissions. They cover all aspects of research, development, and application of large-scale, high performance experimental and commercial systems. Topics include HPC computer architecture and hardware; programming models, system software, and applications; solutions for heterogeneity, reliability, power efficiency of systems; virtualization and containerized environments; big data and cloud computing; and artificial intelligence.

Berkowitz, Evan↗
DOE OSTI2023

Boson–Boson Interactions at the LHC

Vector boson scattering is a key production process to probe the electroweak symmetry breaking of the Standard Model and is one of the most important topics of the physics program for the HL-LHC since it involves both self-couplings of vector bosons and their coupling with the Higgs boson. If the Higgs mechanism is not the sole source of electroweak symmetry breaking, the scattering amplitude deviates from the Standard Model prediction at high scattering energy. Moreover, deviations may be detectable even if a New Physics scale is higher than the reach of direct searches. In this review, the most recent experimental measurements of the production cross sections of vector boson pairs in association with two jets in proton–proton collisions at $\sqrt{s}$ = 13 TeV at the LHC are reported, using data sets recorded by the ATLAS and CMS detectors. Applications to searches for New Physics, as well as prospects for measuring the electroweak vector boson scattering processes with larger data samples, are also summarized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Report on High-Fidelity Dynamic Modeling of a Coal-Fired Steam Power Plant

As a result of the growth of renewables including solar and wind energy with fluctuating production, fossil fuel power plants are being required to cycle between high and low power production. This cycling is both at a greater frequency and over a wider range than in the past. In many cases, power plants are not designed for this type of cycling operation but can nonetheless endure these challenging operation requirements under the right conditions. In this project, optimal solution for enhanced flexible operations are being investigated using model based estimation and control techniques. To support the development of model-based estimator and model-based controls at GE Global Research, GE Steam Power configured a dynamic model using a reference steam plant design including the boiler, turbine, and water/steam conditioning systems as well as the controls needed for plant cycling with stability and reliability. The dynamic model was built using the APROS® software from VTT, and then calibrated to multiple load conditions from full load (100%TMCR) to partial loads (75%TMCR, 50%TMCR and 25%TMCR) based on internally developed steady state heat balance models at the unit level. These internal heat balance models are based on first principles and extensive engineering experiences from GE Steam Power as an OEM and a services provider. This topical report presents the structure of the unit level dynamic model, the tuning process, and representative simulation results from typical load cycling simulations using the dynamic model.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Review of WEC-Sim Development and Applications

WEC-Sim (Wave Energy Converter Simulator) is an open-source code for simulating wave energy converters that has been actively developed and applied to simulate a wide variety of device archetypes, and has become a popular tool since its release. This paper reviews the development efforts and usage of WEC-Sim. The publications considered in this study have been broken down into six topic areas, namely, feature development, experimental validation, device modelling, control modelling, powertake-off (PTO) and grid modelling, and novel applications, which includes some non-wave energy applications. This review paper also recognizes the contributions of academic researchers and technology developers from around the world toward the broader WEC-Sim development effort. The growing number of external applications of WEC-Sim demonstrates a broader acceptance of the open-source code, and the ways WEC-Sim has been used in certain topic areas also highlight potential future development needs.

applications↗
DOE OSTI2017

Modeling of Environmental-Economic Indicators of Regional Development

One of the current topical problems is the prediction of climate change and mitigation of its consequences. All-sided analysis of ecological, economic, and social aspects of climate issues relies on interdisciplinary assessment models. This article adapts the MERGE optimization model to the current state of the world economy and introduces into the model a new component that implements a simplified procedure of “green” GDP calculation (“green” GDP, or GGDP, provides information about the efficiency of use of environmental resources). The objective of our numerical simulations is to tests the consequences of Russia’s hypothetical participation in the program for reducing greenhouse gas (GHG) emissions and to analyze the environmental indicators of Russia’s GDP. The input data are mainly provided by the project of scenario conditions and main macroeconomic parameters for the forecasting of socio-economic development in Russia in the near future implemented by the Ministry of Economic Development of the Russian Federation. The calculations reveal the existence of reserves for Russia’s “painless” participation in environment-preserving initiatives that call for not exceeding the 1990 emission level in 2020–2025. At the same time, increasing the environmental efficiency of Russia’s GDP is a relevant task that requires immediate attention.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2012

Kondo screening and magnetism at interfaces

The nature of magnetic order and transport properties near surfaces is a topic of great current interest. Here we model metal-insulator interfaces with a multilayer system governed by a tight-binding Hamiltonian in which the interaction is nonzero on one set of adjacent planes and zero on another. As the interface hybridization is tuned, magnetic and metallic properties undergo an evolution that reflects the competition between antiferromagnetism and (Kondo) singlet formation in a scenario similar to that occurring in heavy-fermion materials. For a few-layer system at intermediate hybridization, a Kondo insulating phase results, where magnetic order and conductivity are suppressed in all layers. As more insulating layers are added, magnetic order is restored in all correlated layers except that at the interface. Residual signs of Kondo physics are however evident in the bulk as a substantial reduction of the order parameter in the 2 to 3 layers immediately adjacent to the interfacial one. In conclusion, we find no signature of long-range magnetic order in the metallic layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Science and Technology Review (May 2021)

Lawrence Livermore has been on the forefront of cancer research for over 60 years. Early interest in cancer statistics stemmed from the nature of work, particularly how radiation affects humans. The Department of Energy funded research to investigate the effects of radiation on workers with long term exposure. This research quickly morphed into a wider breadth of cancer research topics, including the use of advanced computational models to investigate mutations in genes. Livermore is regarded as a leader in cancer research, from the Human Genome Center to its participation in the National Cancer Institute’s “Moonshot” project. The highly interdisciplinary Laboratory unites research in one more example: bringing together cancer biology, 3D printing, high-performance computing, big data, and materials science to address this pressing medical challenge.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Community Solar Subscription Credit Considerations and Case Study

Together New Orleans (TNO) requested technical assistance through the US Department of Energy's (DOE's) National Community Solar Partnership (NCSP). The National Community Solar Partnership is a coalition of community solar stakeholders working to expand access to affordable community solar to every U.S. household and enable subscribers and their communities to realize meaningful benefits, such as reduced energy burden, increased resilience, community ownership, and equitable workforce development. TNO asked for a subject matter expert from NCSP to review the Entergy New Orleans (ENO) proposed revised Rate Schedule for Community Solar Generating Facilities. TNO requested that the proposed methodology for subscription credits for applicable residential and non-residential rate schedules be reviewed to determine the expected credit rate. The aim behind the analysis is to provide TNO and engaged stakeholders with an informed understanding of the proposed rate schedule before making decisions on the appropriate rate design for community solar (CS) subscriptions. This report is an exploration of CS subscription credit rate calculation considerations using the CS program in New Orleans as a case study. The report provides a framework for modeling CS credit rates in addition to topics that may be helpful to address when undertaking program design or rule making.

14 SOLAR ENERGY↗