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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

GeoVision Analysis: Exploration Task Force Report

The GeoVision study effort included ground-breaking, detailed research on current and future market conditions and geothermal technologies in order to forecast and quantify the electric and non-electric deployment potentials under a range of scenarios, in addition to their impacts on the Nation’s jobs, economy and environment. Coordinated by the U.S. Department of Energy’s (DOE’s) Geothermal Technologies Office (GTO), the GeoVision study development relied on the collection, modeling, and analysis of robust datasets through seven national laboratory partners, which were organized into eight technical Task Force groups. The purpose of this report is to provide a central repository for the research conducted by the Exploration Task Force. The Exploration Task Force consists of four individuals representing three national laboratories: Patrick Dobson (task lead) and Christine Doughty of Lawrence Berkeley National Laboratory, Anna Wall of National Renewable Energy Laboratory, Travis McLing of Idaho National Laboratory, and Chester Weiss of Sandia National Laboratories. As part of the GeoVision analysis, our team conducted extensive scientific and financial analyses on a number of topics related to current and future geothermal exploration methods. The GeoVision Exploration Task Force complements the drilling and resource technology investigations conducted as part of the Reservoir Maintenance and Development Task Force. The Exploration Task Force however has focused primarily on early stage R&D technologies in exploration and confirmation drilling, along with an evaluation of geothermal financing challenges and assumptions, and innovative “blue-sky” technologies. This research was used to develop geothermal resource supply curves (through the use of GETEM) for use in the ReEDS capacity expansion modeling that determines geothermal technology deployment potential. It also catalogues and explores the large array of early-stage R&D technologies with the potential to dramatically reduce exploration and geothermal development costs, forming the basis of the GeoVision Technology Improvement (TI) scenario. These modeling topics are covered in detail in Potential to Penetration task force report. Most of the research contained herein has been published in peer-reviewed papers or conference proceedings and are cited and referenced accordingly. The sections that follow provide a central repository for all of the research findings of the Exploration and Confirmation Task Force. In summary, it provides a comprehensive discussion of Engineered Geothermal Systems (EGS) and associated technology challenges, the risks and costs of conducting geothermal exploration, a review of existing government efforts to date in advancing early-stage R&D in both exploration and EGS technologies, as well as a discussion of promising and innovative technologies and implementation of blue-sky concepts that could significantly reduce costs, lower risks, and shorten the time needed to explore and develop geothermal resources of all types.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

Studying the information content of TMDs using Monte Carlo generators

Theoretical advances in studies of the nucleon structure have been spurred by recent measurements of spin and/or azimuthal asymmetries worldwide. One of the main challenges still remaining is the extraction of the parton distribution functions, generalized to describe transverse momentum and spatial distributions of partons from these observables with no or minimal model dependence. In this topical review we present the latest developments in the field with emphasis on requirements for Monte Carlo event generators, indispensable for studies of the complex 3D nucleon structure, and discuss examples of possible applications.

3D nucleon structure↗
DOE OSTI2018

Modeling the effects of geoengineering; Report on the Eighth Annual GeoMIP Meeting, Zürich, Switzerland, 16–17 April 2018

The study of geoengineering (deliberate, temporary modification of the climate system; also called “climate intervention” or “climate engineering”) is increasingly receiving attention as a potential method of reducing the most severe negative effects of climate change. If decision makers are going to seriously consider geoengineering as an option, they need to understand the risks of deploying geoengineering, as well as the risks of not doing so. Because large-scale outdoor climate-perturbing field experiments of geoengineering methods, such as injecting several megatons of sulfur compounds into the stratosphere, are not viable, the best tools available to understand this topic are global climate models. By comparing the results from multiple global climate models, scientists can understand and potentially reduce key uncertainties in the expected impacts of geoengineering on climate and society.

Kravitz, Benjamin S.↗
DOE OSTI2014

A convex pseudolikelihood framework for high dimensional partial correlation estimation with convergence guarantees

Sparse high dimensional graphical model selection is a topic of much interest in modern day statistics. A popular approach is to apply l1-penalties to either parametric likelihoods, or regularized regression/pseudolikelihoods, with the latter having the distinct advantage that they do not explicitly assume Gaussianity. As none of the popular methods proposed for solving pseudolikelihood-based objective functions have provable convergence guarantees, it is not clear whether corresponding estimators exist or are even computable, or if they actually yield correct partial correlation graphs. We propose a new pseudolikelihood-based graphical model selection method that aims to overcome some of the shortcomings of current methods, but at the same time retain all their respective strengths. In particular, we introduce a novel framework that leads to a convex formulation of the partial covariance regression graph problem, resulting in an objective function comprised of quadratic forms. The objective is then optimized via a coordinate wise approach. The specific functional form of the objective function facilitates rigorous convergence analysis leading to convergence guarantees; an important property that cannot be established by using standard results, when the dimension is larger than the sample size, as is often the case in high dimensional applications. These convergence guarantees ensure that estimators are well defined under very general conditions and are always computable. In addition, the approach yields estimators that have good large sample properties and also respect symmetry. Furthermore, application to simulated and real data, timing comparisons and numerical convergence is demonstrated. We also present a novel unifying framework that places all graphical pseudolikelihood methods as special cases of a more general formulation, leading to important insights.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

TU-C-18C-01: Medical Physics 1.0 to 2.0: Introduction and Panel Discussion

Medical Physics 2.0, a new frontier in clinical imaging physics: Diagnostic imaging has always been a technological highlight of modern medicine. Imaging systems, with their ever-expanding advancement in terms of technology and application, increasingly require skilled expertise to understand the delicacy of their operation, monitor their performance, design their effective use, and ensure their overall quality and safety, scientifically and in quantitative terms. Physicists can play a crucial role in that process. But that role has largely remained a severely untapped resource. Many imaging centers fail to appreciate this potential, with medical physics groups either nonexistent or highly understaffed and their services poorly integrated into the patient care process. As a field, we have yet to define and enact how the clinical physicist can engage as an active, effective, and integral member of the clinical team, and how the services that she/he provides can be financially accounted for. Physicists do and will always contribute to research and development. However, their indispensible contribution to clinical imaging operations is something that has not been adequately established. That, in conjunction with new realities of healthcare practice, indicates a growing need to establish an updated approach to clinical medical imaging physics. This presentation aims to describe a vision as how clinical imaging physics can expand beyond traditional insular models of inspection and acceptance testing, oriented toward compliance, towards team-based models of operational engagement addressing topics such as new non-classical challenges of new technologies, quantitative imaging, and operational optimization. The Medical Physics 2.0 paradigm extends clinical medical physics from isolated characterization of inherent properties of the equipment to effective use of the equipment and to retrospective evaluation of clinical performance. This is an existential transition of the field that speaks to the new paradigms of value-based and evidence-based medicine, comparative effectiveness, and meaningful use. The panel discussion that follows includes prominent practitioners, thinkers, and leaders that would lead the discussion on how Medical Physics 2.0 can be actualized. Topics of discussion will include the administrative, financial, regulatory, and accreditation requirements of the new paradigm, effective models of practice, and the steps that we need to take to make MP 2.0 a reality. Learning Objectives: To understand the new paradigm of clinical medical physics practice extending from traditional insular models of compliance towards teambased models of operational engagement. To understand how clinical physics can most effectively contribute to clinical care. Learn to identify strengths and weaknesses in studies designed to measure the effect of low doses of ionizing radiation To recognize the impediments to Medical Physics 2.0 paradigm.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Analyzing Production Rate and Carbon Utilization Trade-offs in CO 2 RR Electrolyzers

Carbon utilization is a crucially important performance characteristic of CO 2 electrolyzers; however, applications of simple and accurate descriptive models to experimental data on this topic are currently lacking. Here, we apply a simple analytical reactor model to parameterize single-pass conversion as a function of feed-gas flow rate and show that it captures a wide body of experimental data in the literature exceptionally well. In doing so, we demonstrate that this simple conceptual approach can characterize progress and capture recent innovations in reactor design. To validate the extracted parameters, we employ a well-established comprehensive model to confirm that the results agree with physical expectations. Lastly, we explore the implications of the descriptive model by examining the inherent trade-off between single-pass conversion efficiency and reactor productivity. Understanding such trade-offs is crucially important for advancing this electrolyzer technology toward commercial applications.

36 MATERIALS SCIENCE↗
DOE OSTI2016

DR Argillite Disposal R&D at LBNL

Within the Natural Barrier System (NBS) group of the Used Fuel Disposition (UFD) Campaign at the Department of Energy’s (DOE) Office of Nuclear Energy, LBNL’s research activities have focused on understanding and modeling EDZ evolution and the associated coupled processes and impacts of high temperature on parameters and processes relevant to performance of a clay repository to establish the technical base for the maximum allowable temperature. This report documents results from some of these activities. These activities address key Features, Events, and Processes (FEPs), which have been ranked in importance from medium to high, as listed in Table 7 of the Used Fuel Disposition Campaign Disposal Research and Development Roadmap (FCR&D-USED-2011-000065 REV0) (Nutt, 2011). Specifically, they address FEP 2.2.01, Excavation Disturbed Zone, for clay/shale, by investigating how coupled processes affect EDZ evolution; FEP 2.2.05, Flow and Transport Pathways; and FEP 2.2.08, Hydrologic Processes, and FEP 2.2.07, Mechanical Processes, and FEP 2.2.09, Chemical Process—Transport, by studying near-field coupled THMC processes in clay/shale repositories. The activities documented in this report also address a number of research topics identified in Research & Development (R&D) Plan for Used Fuel Disposition Campaign (UFDC) Natural System Evaluation and Tool Development (Wang 2011), including Topics S3, Disposal system modeling – Natural System; P1, Development of discrete fracture network (DFN) model; P14, Technical basis for thermal loading limits; and P15 Modeling of disturbed rock zone (DRZ) evolution (clay repository).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Update: structural uncertainty of used nuclear fuel in dry storage canisters

The Structural Uncertainty research task uses numerical modeling to help close knowledge gaps associated with extended dry storage of used nuclear fuel. Modeling helps to predict the expected range of mechanical loading on used nuclear fuel and dry storage system components, which is needed to help guide materials research. Knowledge of expected loads helps the materials researchers prioritize their research and focus only on the relevant material degradation phenomena that can have an effect on the ability of dry storage systems to function. The loads considered in this task are DSC tip-over, handling drops of the multipurpose fuel canister, and seismic loading of DSC systems while situated on the concrete pad of a storage facility. This document is a progress report that describes the work that was performed in fiscal year 2015. The work is a broad task that considers a number of physical phenomena and uses sophisticated LS-DYNA finite element models to predict used fuel and DSC system response to dynamic loads. Due to the broad list of topics and limited budgets, the topics of this task are prioritized at the beginning of the year and the priorities are subject to revision throughout the year as the Pacific Northwest National Laboratory team collaborates with other members of the Used Fuel Disposition Campaign. This year, three topics were investigated: options for modeling cladding in LS-DYNA, the effect of cladding thinning in the tip-over load case, and stress corrosion cracking in multipurpose canister welds. In each of these cases, significant progress was made. This report details the work that was done and identifies areas where more work is needed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Pseudospin S = 1 formalism and skyrmion-like excitations in the three-body constrained extended Bose–Hubbard model

We discuss the most prominent and intensively studied S = 1 pseudospin formalism for the extended bosonic Hubbard model (EBHM) with the on-site Hilbert space truncated to the three lowest occupation states n = 0, 1, 2. The EBHM Hamiltonian is a paradigmatic model for the highly topical field of ultracold gases in optical lattices. The generalized non-Heisenberg effective pseudospin Hamiltonian does provide a deep link with a boson system and a physically clear description of “the myriad of phases,” from uniform Mott insulating phases and density waves to two types of superfluids and supersolids. We argue that the 2D pseudospin system is prone to a topological phase separation and focus on several types of unconventional skyrmion-like topological structures in 2D boson systems, which have not been analyzed until now. The structures are characterized by a complicated interplay of insulating and two superfluid phases with a single- boson and two-boson condensation, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Interface microstructure effects on dynamic failure behavior of layered Cu/Ta microstructures

Abstract Structural metallic materials with interfaces of immiscible materials provide opportunities to design and tailor the microstructures for desired mechanical behavior. Metallic microstructures with plasticity contributors of the FCC and BCC phases show significant promise for damage-tolerant applications due to their enhanced strengths and thermal stability. A fundamental understanding of the dynamic failure behavior is needed to design and tailor these microstructures with desired mechanical responses under extreme environments. This study uses molecular dynamics (MD) simulations to characterize plasticity contributors for various interface microstructures and the damage evolution behavior of FCC/BCC laminate microstructures. This study uses six model Cu/Ta interface systems with different orientation relationships that are as- created, and pre-deformed to understand the modifications in the plasticity contributions and the void nucleation/evolution behavior. The results suggest that pre-existing misfit dislocations and loading orientations (perpendicular to and parallel to the interface) affect the activation of primary and secondary slip systems. The dynamic strengths are observed to correlate with the energy of the interfaces, with the strengths being highest for low-energy interfaces and lowest for high-energy interfaces. However, the presence of pre-deformation of these interface microstructures affects not only the dynamic strength of the microstructures but also the correlation with interface energy.

42 ENGINEERING↗
DOE OSTI2016

A global gas flaring black carbon emission rate dataset from 1994 to 2012

Global flaring of associated petroleum gas is a potential emission source of particulate matters (PM) and could be notable in some specific regions that are in urgent need of mitigation. PM emitted from gas flaring is mainly in the form of black carbon (BC), which is a strong short-lived climate forcer. However, BC from gas flaring has been neglected in most global/regional emission inventories and is rarely considered in climate modeling. Here we present a global gas flaring BC emission rate dataset for the period 1994–2012 in a machine-readable format. We develop a region-dependent gas flaring BC emission factor database based on the chemical compositions of associated petroleum gas at various oil fields. Gas flaring BC emission rates are estimated using this emission factor database and flaring volumes retrieved from satellite imagery. Evaluation using a chemical transport model suggests that consideration of gas flaring emissions can improve model performance. This dataset will benefit and inform a broad range of research topics, e.g., carbon budget, air quality/climate modeling, and environmental/human exposure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Working Party on International Nuclear Data Evaluation Cooperation (WPEC)

The OECD Nuclear Energy Agency (NEA) organizes cooperation between the major nuclear data evaluation projects in the world. The NEA Working Party on International Nuclear Data Evaluation Cooperation (WPEC) was established to promote the exchange of information on nuclear data evaluation, measurement, nuclear model calculation, validation, and related topics, and to provide a framework for cooperative activities between the participating projects. The working party assesses nuclear data improvement needs and addresses these needs by initiating joint activities in the framework of dedicated WPEC subgroups. Studies recently completed comprise a number of works related to nuclear data covariance and associated processing issues, as well as more specific studies related to the resonance parameter representation in the unresolved resonance region, the gamma production from fission product capture reactions, the {sup 235}U capture cross section, the EXFOR database, and the improvement of nuclear data for advanced reactor systems. Ongoing activities focus on the evaluation of {sup 239}Pu in the resonance region, scattering angular distribution in the fast energy range, and reporting/usage of experimental data for evaluation in the resolved resonance region. New activities include two subgroups on improved fission product yield evaluation methodologies and on modern nuclear database structures. Future activities under discussion include a pilot project for a Collaborative International Evaluated Library Organization (CIELO) and methods to provide feedback from nuclear and covariance data adjustment for improvement of nuclear data. In addition to the above mentioned short-term task-oriented subgroups, WPEC also hosts a longer-term subgroup charged with reviewing and compiling the most important nuclear data requirements in a high priority request list (HPRL)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Advances in understanding hydration of Portland cement

Progress in understanding hydration is summarized. Evidence supports the geochemistry dissolution theory as an explanation for the induction period, in preference to the inhibiting layer theory. The growth of C–S–H is the principal factor controlling the main heat evolution peak. Electron microscopy indicates that C–S–H “needles” grow from the surface of grains. At the peak, the surface is covered, but deceleration cannot be attributed to diffusion control. The shoulder peak comes from renewed reaction of C{sub 3}A after depletion of sulfate in solution, but release of sulfate absorbed on C–S–H means that ettringite continues to form. After several days space becomes the major factor controlling hydration. The use of new analytical technique is improving our knowledge of the action of superplasticizers and leading to the design of molecules for different applications. Atomistic modeling is becoming a topic of increasing interest. Recent publications in this area are reviewed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Elemental mercury neurotoxicity and clinical recovery of function: A review of findings, and implications for occupational health

Highlights: • Substantial human studies, both acute and chronic, are available for evaluation. • Elemental mercury induced toxicity often displays substantial recovery. • Numerous examples fail to show full recovery from elemental mercury toxicity. • Recovery from elemental mercury toxicity is affected by age and endpoint. • Few animal studies have been directed to elemental mercury toxicity recovery. This paper assessed approximately 30 studies, mostly involving occupationally exposed subjects, concerning the extent to which those who developed elemental mercury (Hg)-induced central and/or peripheral neurotoxicities from chronic or acute exposures recover functionality and/or performance. While some recovery occurred in the vast majority of cases, the extent of such recoveries varied considerably by individual and endpoint. Factors accounting for the extensive inter-individual variation in toxicity and recovery were not specifically assessed such as age, gender, diet, environmental enrichment, chelation strategies and dose-rate. While the data indicate that psychomotor endpoints often show substantial and relatively rapid (i.e., 2–6 months) recovery and that neuropsychological endpoints display slower and less complete recovery, generalizations are difficult due to highly variable study designs, use of different endpoints measured between studies, different Hg exposures based on blood/urine concentrations and Hg dose-rates, the poor capacity for replicating findings due to the unpredictable/episodic nature of harmful exposures to elemental Hg, and the inconsistency of the initiation of studies after induced toxicities and the differing periods of follow up during recovery periods. Finally, there is strikingly limited animal model literature on the topic of recovery/reversibility of elemental Hg toxicity, a factor which significantly contributes to the overall marked uncertainties for predicting the rate and magnitude of recovery and the factors that affect it.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The Forward Physics Facility: Sites, experiments, and physics potential

The Forward Physics Facility (FPF) is a proposal to create a cavern with the space and infrastructure to support a suite of far-forward experiments at the Large Hadron Collider during the High Luminosity era. Located along the beam collision axis and shielded from the interaction point by at least 100 m of concrete and rock, the FPF will house experiments that will detect particles outside the acceptance of the existing large LHC experiments and will observe rare and exotic processes in an extremely low-background environment. In this work, we summarize the current status of plans for the FPF, including recent progress in civil engineering in identifying promising sites for the FPF and the experiments currently envisioned to realize the FPF’s physics potential. We then review the many Standard Model and new physics topics that will be advanced by the FPF, including searches for long-lived particles, probes of dark matter and dark sectors, high-statistics studies of TeV neutrinos of all three flavors, aspects of perturbative and non-perturbative QCD, and high-energy astroparticle physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The phononic and charge density wave behavior of entire rare-earth tritelluride series with chemical pressure and temperature

Here, we present comprehensive phononic and charge density wave properties (CDW) of rare-earth van der Waals tritellurides through temperature dependent angle-resolved Raman spectroscopy measurements. All the possible rare-earth tritellurides (RTe3) ranging from R = La–Nd, Sm, Gd–Tm were synthesized through a chemical vapor transport technique to achieve high quality crystals with excellent CDW characteristics. Raman spectroscopy studies successfully identify the emergence of the CDW state and transition temperature (TCDW), which offers a non-destructive method to identify their CDW response with micron spatial resolution. Temperature dependent Raman measurements further correlate how the atomic mass of metal cations and the resulting chemical pressure influence its CDW properties and offer detailed insight into the strength of CDW amplitude mode-phonon coupling during the CDW transition. Angle-resolved Raman measurements offer the first insights into the CDW-phonon symmetry interplay by monitoring the change in the symmetry of phonon mode across the CDW transition. Overall results introduce the library of RTe3 CDW materials and establish their characteristics through the non-destructive angle-resolved Raman spectroscopy technique.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Uncovering universal rules governing the selectivity of the archetypal DNA glycosylase TDG

Thymine DNA glycosylase (TDG) is a pivotal enzyme with dual roles in both genome maintenance and epigenetic regulation. TDG is involved in cytosine demethylation at CpG sites in DNA. Here we have used molecular modeling to delineate the lesion search and DNA base interrogation mechanisms of TDG. First, we examined the capacity of TDG to interrogate not only DNA substrates with 5-carboxyl cytosine modifications but also G:T mismatches and nonmismatched (A:T) base pairs using classical and accelerated molecular dynamics. To determine the kinetics, we constructed Markov state models. Base interrogation was found to be highly stochastic and proceeded through insertion of an arginine-containing loop into the DNA minor groove to transiently disrupt Watson–Crick pairing. Next, we employed chain-of-replicas path-sampling methodologies to compute minimum free energy paths for TDG base extrusion. We identified the key intermediates imparting selectivity and determined effective free energy profiles for the lesion search and base extrusion into the TDG active site. Here, our results show that DNA sculpting, dynamic glycosylase interactions, and stabilizing contacts collectively provide a powerful mechanism for the detection and discrimination of modified bases and epigenetic marks in DNA.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Conversion of Site-Specific Meteorological Data for use in CAP-88 PC

CAP-88 PC is a commonly used radiological atmospheric dispersion model. This US EPA-approved model is used to demonstrate compliance with atmospheric emission regulations for radionuclides. While the model includes a large library of meteorological data for use across the United States, there are applications when users may wish to use onsite meteorological data as an input to the CAP-88 PC model. Here, in this work, we present a work-around process for preparing and converting onsite data for use in CAP-88 PC. However, the use of local data should provide a more realistic estimate of doses to members of the public in the immediate vicinity of a facility, although the regulatory agency having jurisdiction may not accept the use of local data for compliance. Additionally, the historical meteorological records from 20+ years ago (at a site many kilometers away) might not be representative of current local weather patterns, highlighting another benefit of using local meteorological data.

54 ENVIRONMENTAL SCIENCES↗