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

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DOE OSTI2026

Depletion benchmark for a high-assay low-enriched uranium fuel experiment in the advanced test reactor

Reactor physics depletion benchmarks for high-assay low-enriched uranium (HALEU) fuel are limited in number. In particular, there is limited data for HALEU benchmarks for U-10Mo (uranium-10% molybdenum) plate fuel that is being developed for use in the United States’ high performance research reactors including the Advanced Test Reactor (ATR), Advanced Test Reactor Critical Facility (ATR-C), High Flux Isotope Reactor (HFIR), Massachusetts Institute of Technology Reactor (MITR), University of Missouri Research Reactor (MURR), National Bureau of Standards Reactor (NBSR). These six reactors currently operate with highly enriched uranium dispersed fuel in an aluminum matrix. In support of conversion to a HALEU fuel, qualification of U-10Mo formed into a monolithic foil is being performed. Fuel qualification involves irradiating fuel specimens in the ATR. The irradiation tests provide an opportunity to benchmark depletion capabilities of reactor physics codes in support of the ATR operation, as well as develop benchmarks that can be used by other institutions to benchmark other reactor physics codes. This paper documents the development of a benchmark model of the irradiation of the ATR Full-size plate In center flux trap Position 7 (AFIP-7) experiment using the depletion codes MC21 and Advanced Dimensional Depletion for Engineering of Reactors (ADDER).

Nielsen, Joseph W. [Idaho National Laboratory (INL↗
NASA NTRS1989

Aeolian processes on Venus

This review assesses the potential aeolian regime on Venus as derived from spacecraft observations, laboratory simulations, and theoretical considerations. The two requirements for aeolian processes (a supply of small, loose particles and winds of sufficient strength to move them) appear to be met on Venus. Venera 9, 10, 13, and 14 images show particles considered to be sand and silt size on the surface. In addition, dust spurts (grains 5 to 50 microns in diameter) observed via lander images and inferred from the Pioneer-Venus nephalometer experiments suggest that the particles are loose and subject to movement. Although data on near surface winds are limited, measurements of 0.3 to 1.2 m/sec from the Venera lander and Pioneer-Venus probes appear to be well within the range required for sand and dust entrainment. Aeolian activity involves the interaction of the atmosphere, lithosphere, and loose particles. Thus, there is the potential for various physical and chemical weathering processes that can effect not only rates of erosion, but changes in the composition of all three components. The Venus Simulator is an apparatus used to simulate weathering under venusian conditions at full pressure (to 112 bars) and temperature (to 800 K). In one series of tests, the physical modifications of windblown particles and rock targets were assessed and it was shown that particles become abraded even when moved by gentle winds. However, little abrasion occurs on the target faces. Thus, compositional signatures for target rocks may be more indicative of the windblown particles than of the bedrock. From these and other considerations, aeolian modifications of the venusian surface may be expected to occur as weathering, erosion, transportation, and deposition of surficial materials. Depending upon global and local wind regimes, there may be distinctive sources and sinks of windblown materials. Radar imaging, especially as potentially supplied via the Magellan mission, may enable the identification of such areas on Venus.

Greeley, Ronald↗
NASA NTRS1986

Transmission electron microscopic examination of phosphoric acid fuel cell components

Transmission electron microscopy (TEM) was used to physically characterize tested and untested phosphoric acid fuel cell (PAFC) components. Those examined included carbon-supported platinum catalysts, carbon backing paper, and Teflon-bonded catalyst layers at various stages of fabrication and after testing in pressurized PAFC's. Applicability of electron diffraction and electron energy loss spectroscopy for identifying the various phases was explored. The discussion focuses on the morphology and size distribution of platinum, the morphology and structural aspects of Teflon in catalyst layers, and the structural evidence of carbon corrosion. Reference is made to other physical characterization techniques where appropriate. A qualitative model of the catalyst layer that emerged from the TEM studies is presented.

Pebler, A.↗
NASA NTRS2016

NASA's Hydrogen Outpost: The Rocket Systems Area at Plum Brook Station

"There was pretty much a general knowledge about hydrogen and its capabilities," recalled former researcher Robert Graham. "The question was, could you use it in a rocket engine? Do we have the technology to handle it? How will it cool? Will it produce so much heat release that we can't cool the engine? These were the questions that we had to address." The National Aeronautics and Space Administration's (NASA) Glenn Research Center, referred to historically as the Lewis Research Center, made a concerted effort to answer these and related questions in the 1950s and 1960s. The center played a critical role transforming hydrogen's theoretical potential into a flight-ready propellant. Since then NASA has utilized liquid hydrogen to send humans and robots to the Moon, propel dozens of spacecraft across the universe, orbit scores of satellite systems, and power 135 space shuttle flights. Rocket pioneers had recognized hydrogen's potential early on, but its extremely low boiling temperature and low density made it impracticable as a fuel. The Lewis laboratory first demonstrated that liquid hydrogen could be safely utilized in rocket and aircraft propulsion systems, then perfected techniques to store, pump, and cleanly burn the fuel, as well as use it to cool the engine. The Rocket Systems Area at Lewis's remote testing area, Plum Brook Station, played a little known, but important role in the center's hydrogen research efforts. This publication focuses on the activities at the Rocket Systems Area, but it also discusses hydrogen's role in NASA's space program and Lewis's overall hydrogen work. The Rocket Systems Area included nine physically modest test sites and three test stands dedicated to liquid-hydrogen-related research. In 1962 Cleveland Plain Dealer reporter Karl Abram claimed, "The rocket facility looks more like a petroleum refinery. Its test rigs sprout pipes, valves and tanks. During the night test runs, excess hydrogen is burned from special stacks in the best Oklahoma oil field tradition." Besides the Rocket Systems Area, Plum Brook Station also included a nuclear test reactor, a large vacuum tank, a hypersonic wind tunnel, and a full-scale upper-stage rocket stand. The Rocket Systems Area operated from 1961 until NASA shut down all of Plum Brook in 1974. The center reopened Plum Brook in the late 1980s and continues to use several test facilities. The Rocket Systems Area, however, was not restored. Today Plum Brook resembles a nature preserve more than an oil refinery. Lush fields and forests separate the large test facilities. Until recently, the abandoned Rocket Systems Area structures and equipment were visible amongst the greenery. These space-age ruins, particularly the three towers, stood as silent sentinels over the sparsely populated reservation. Few knew the story of these mysterious facilities when NASA removed them in the late 2000s.

Rocket Systems↗
NASA NTRS2007

Implementation of the NASA AG-Bed Rest Pilot

To examine the efficacy of artificial gravity (AG) as a countermeasure to spaceflight deconditioning, intermittent AG produced by a horizontal short-radius centrifuge (SRC) was utilized on human test subjects deconditioned by bed rest. This poster will present the subject screening, study design, logistics, and implementation of the 41 day pilot study conducted at the University of Texas Medical Branch, Galveston, TX bed rest facility. An extensive screening process was employed to exclude subjects that were dissimilar to the U.S. astronaut population. Candidates underwent a modified U.S. Air Force Class III physical and tests of bone density, cardiovascular fitness, vestibular system function, psychological fitness and centrifuge tolerance. 15 subjects completed the study; 7 control and 8 AG treatment. All provided written consent to volunteer after the nature of the study and its hazards were clearly explained to them. Standard conditions were strictly regulated; Ta = 72 +/- 2 F, humidity = 70 +/- 5%, light/dark cycle 16h:8h. All fluid intake (minimum 28.5 ml/kg body weight/day) and urine output was monitored. Caloric intake was adjusted as necessary to maintain body weight. Carbohydrate, fat and protein were provided in a ratio of 55:30:15. Phosphorus intake was 1400 mg/d, sodium intake was 2 mmol/kg/d, potassium intake was 1.3 mmol/kg/d, and dietary calcium intake was 1000 mg/d. A physician examined each subject daily. During the first 11 days of the study protocol, subjects were ambulatory, but confined to the facility. Subjects participated in multiple baseline tests of bone, muscle, cardiovascular, sensory-motor, immunological, and psychological function. On the 12th day, subjects entered the bed rest phase of the study, during which they were confined to strict 6? head down tilt bed rest for 21 days. Beginning 24 hrs into this period, treatment subjects received 1 hour daily exposures to artificial gravity which was produced by spinning the subjects on a 3.0 m radius SRC. They were oriented radially in the supine position so that the centrifugal force was aligned with their long body axis, and while spinning, they #stood# on a force plate, supporting the centrifugal loading (2.5 g at the feet, 1.0 g at the heart). The subject station allowed free translation over approximately 10 cm to ensure full loading of the lower extremities and to allow for anti-orthostatic muscle contractions. Control subjects were positioned on the centrifuge but did not spin. Following the bed rest phase, subjects were allowed to ambulate again, but remained within the facility for an additional 9 days and participated in multiple follow-up tests of physiological function.

Warren, L. E.↗
DOE OSTI2022

Towards a Unified Setup to Simulate Mid‐Latitude and Tropical Mesoscale Convective Systems at Kilometer‐Scales

Abstract Mesoscale convective systems (MCSs) are the main source of precipitation in the tropics and parts of the mid‐latitudes and are responsible for high‐impact weather worldwide. Studies showed that deficiencies in simulating mid‐latitude MCSs in state‐of‐the‐art climate models can be alleviated by kilometer‐scale models. However, whether these models can also improve tropical MCSs and whether we can find model settings that perform well in both regions is understudied. We take advantage of high‐quality MCS observations collected over the Atmospheric Radiation Measurement (ARM) facilities in the US Southern Great Plains (SGP) and the Amazon basin near Manaus (MAO) to evaluate a perturbed physics ensemble of simulated MCSs with 4 km horizontal grid spacing. A new model evaluation method is developed that enables to distinguish biases stemming from spatiotemporal displacements of MCSs from biases in their reflectivity and cloud shield. Amazon MCSs are similarly well simulated across these evaluation metrics than SGP MCSs despite the challenges anticipated from weaker large‐scale forcing in the tropics. Generally, SGP MCSs are more sensitive to the choice of model microphysics, while Amazon cases are more sensitive to the planetary boundary layer (PBL) scheme. Although our tested model physics combinations had strengths and weaknesses, combinations that performed well for SGP simulations result in worse results in the Amazon basin and vice versa. However, we identified model settings that perform well at both locations, which include the Thompson and Morrison microphysics coupled with the Yonsei University (YSU) PBL scheme and the Thompson scheme coupled with the Mellor‐Yamada‐Janjic PBL scheme.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2012

A Precise Physical Orbit For The M-Dwarf Binary Gliese 268

We report high-precision interferometric and radial velocity (RV) observations of the M-dwarf binary Gl 268. Combining measurements conducted using the IOTA interferometer and the ELODIE and Harvard Center for Astrophysics RV instruments leads to a mass of 0.22596 plus-minus 0.00084 Mass compared to the sun for component A and 0.19230 plus-minus 0.00071 Mass compared to the sun for component B. The system parallax as determined by these observations is 0.1560 plus-minus 0.0030 arcsec - a measurement with 1.9% uncertainty in excellent agreement with Hipparcos (0.1572 plus-minus 0.0033). The absolute H-band magnitudes of the component stars are not well constrained by these measurements; however, we can place an approximate upper limit of 7.95 and 8.1 for Gl 268A and B, respectively.We test these physical parameters against the predictions of theoretical models that combine stellar evolution with high fidelity, non-gray atmospheric models. Measured and predicted values are compatible within 2sigma. These results are among the most precise masses measured for visual binaries and compete with the best adaptive optics and eclipsing binary results.

Barry, R. K.↗
NASA NTRS1993

Humidity effects on soluble core mechanical and thermal properties (polyvinyl alcohol/microballoon composite) type CG extendospheres, volume 2

This document constitutes the final report for the study of humidity effects and loading rate on soluble core (PVA/MB composite material) mechanical and thermal properties under Contract No. 100345. This report describes test results procedures employed, and any unusual occurrences or specific observations associated with this test program. The primary objective of this work was to determine if cured soluble core filler material regains its tensile and compressive strength after exposure to high humidity conditions and following a drying cycle. Secondary objectives include measurements of tensile and compressive modulus, and Poisson's ratio, and coefficient of thermal expansion (CTE) for various moisture exposure states. A third objective was to compare the mechanical and thermal properties of the composite using 'SG' and 'CG' type extendospheres. The proposed facility for the manufacture of soluble cores at the Yellow Creek site incorporates no capability for the control of humidity. Recent physical property tests performed with the soluble core filler material showed that prolonged exposure to high humidity significantly degradates in strength. The purpose of these tests is to determine if the product, process or facility designs require modification to avoid imparting a high risk condition to the ASRM.

Source record↗
NASA NTRS1973

Rubber compositions for hydrazine service

Forty-three compounds were formulated and tested for physical properties and hydrazine compatibility. Variables introduced include silicon dioxide filler loading level and particle size. Both butyl and ethylene-propylene rubbers were employed as well as various vulcanization systems. The data showed that compounds containing butyl and butyl blended with ethylene propylene could not be distinguished from ethylene propylene alone as far as chemical properties were concerned. A trend noted was that a filler level with higher silicon dioxide loading exhibited better hydrazine compatibility. Particle size variation did not show any consistent trends. Any of the vulcanization systems employed appeared to be satisfactory. A refined technique for dissolving aluminum cores from EPT-10 bladders was also tested.

Repar, J.↗
NASA NTRS1994

Department of Physics' Involvement of the Impact Testing Project of the High Speed Civil Transport Program (HSCT)

The project involved the impact testing of a kevlar-like woven polymer material, PBO. The purpose was to determine whether this material showed any promise as a lightweight replacement material for jet engine fan containment. The currently used metal fan containment designs carry a high drag penalty due to their weight. Projectiles were fired at samples of PBO by means of a 0.5 inch diameter Helium powered gun. The Initial plan was to encase the samples inside a purpose-built steel "hot box" for heating and ricochet containment. The research associate's responsibility was to develop the data acquisition programs and techniques necessary to determine accurately the impacting projectile's velocity. Beyond this, the Research Associate's duties include any physical computations, experimental design, and data analysis necessary.

VonMeerwall, Ernst D.↗
NASA NTRS2004

Surface Modeling and Grid Generation for Iced Airfoils (SmaggIce)

Many of the troubles associated with problem solving are alleviated when there is a model that can be used to represent the problem. Through the Advanced Graphics and Visualization (G-VIS) Laboratory and other facilities located within the Research Analysis Center, the Computer Services Division (CSD) is able to develop and maintain programs and software that allow for the modeling of various situations. For example, the Icing Research Branch is devoted to investigating the effect of ice that forms on the wings and other airfoils of airplanes while in flight. While running tests that physically generate ice and wind on airfoils within the laboratories and wind tunnels on site are done, it would be beneficial if most of the preliminary work could be done outside of the lab. Therefore, individuals from within CSD have collaborated with Icing Research in order to create SmaggIce. This software allows users to create ice patterns on clean airfoils or open files containing a variety of icing situations, manipulate and measure these forms, generate, divide, and merge grids around these elements for more explicit analysis, and specify and rediscretize subcurves. With the projected completion date of Summer 2005, the majority of the focus of the Smagglce team is user-functionality and error handling. My primary responsibility is to test the Graphical User Interface (GUI) in SmaggIce in order to ensure the usability and verify the expected results of the events (buttons, menus, etc.) within the program. However, there is no standardized, systematic way in which to test all the possible combinations or permutations of events, not to mention unsolicited events such as errors. Moreover, scripting tests, if not done properly and with a view towards inevitable revision, can result in more apparent errors within the software and in effect become useless whenever the developers of the program make a slight change in the way a specific process is executed. My task therefore requires a brief yet intense study into GUI coverage criteria and creating algorithms for GUI implementation. Nevertheless, there are still heavily graphical features of SmaggIceSmaggIce that must be either corrected or redesigned before its release. A particular feature of SmaggIce is the ability to smooth out curves created by control points that form an arbitrary shape into something more acquiescent to gridding (while maintaining the integrity of the data). This is done by a mathematical model known as Non-Uniform Rational B-Spline (NURBS) curves. Existing NURBS code is written in FORTRAN-77 with static arrays for holding information. My new assignment is to allow for dynamic memory allocation within the code and to make it possible for the developers to call out functions from the NURBS code using C.

Hammond, Brandy M.↗
DOE OSTI2023

Effect of feed composition on the production of off-gases during vitrification of simulated low-activity nuclear waste

During the vitrification of nuclear waste, hazardous and radioactive emissions are generated from the feed-to-glass conversion reactions, in addition to discharges from forced air bubbling and air inleakage. Although the major gaseous emissions are water vapor, nitrogen, and carbon dioxide, various monitored environmental pollutants are also released, such as nitrogen oxides or sulfur dioxide. In addition, reactions between organics and nitrates in the feed may also form products of incomplete combustion such as carbon monoxide and acetonitrile. Although off-gas emissions are commonly measured during both laboratory- and pilot-scale melter testing, no predictive tool is currently available to a priori estimate the composition of gaseous emissions during nuclear waste vitrification. This work forms a basis for the development of such predictive tool by measuring gas evolution from a broad range of simulated low-activity waste melter feeds using evolved gas analysis data and developing correlations between the feed and off-gas compositions. Using reaction stoichiometry and regression analysis, we demonstrate that next to the content of nitrogen and organic carbon in the feed, the gaseous emissions are affected by the feed reduction-oxidation conditions – the more the feed is reduced, the less nitrogen monoxide, and more carbon monoxide and acetonitrile evolves. In conclusion, the results presented in this work provide a first step towards reducing the amount of expensive physical melter testing and the regression analysis provides a simple tool for rapid optimization of feed composition with respect to off-gas composition.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

2021 Annual Site Environmental Report

This report provides the U.S. Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. The results of PPPL’s 2021 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2021. PPPL’s on-site operations were significantly curtailed in 2021 due to the global coronavirus pandemic. PPPL has engaged in fusion energy research since 1951. The Laboratory’s mission is to develop the scientific knowledge and advanced engineering to enable fusion to power the U.S. and the world, and to developing the understanding of plasmas from the nano- to the astrophysical scale. PPPL’s primary experiment, the National Spherical Torus Experiment-Upgrade (NSTX-U) is a collaboration among national laboratories, universities, and national and international research institutions and is a major element in the US Fusion Energy Sciences Program. Its design tests the physics principles of spherical torus (ST) plasmas, playing an important role in the development of smaller, more economical fusion reactors. Due to previous operational issues, NSTX-U did not operate in 2021. PPPL is engaged in a project to replace key NSTX-U components and systems to enable operation of this international fusion user facility. In 2021, PPPL’s radiological environmental monitoring program measured tritium in the air at the NSTX-U Stack and at onsite sampling stations. Using highly sensitive air monitors, PPPL is capable of detecting small changes in the ambient levels of tritium. The operation of an in-stack monitor located on D-site is used to demonstrate compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPs) regulations. Also included in PPPL’s radiological environmental monitoring program, are water monitoring – ground, surface, and waste waters. PPPL’s radiological monitoring program characterized the background levels of tritium in the environment and those data are presented in this report. Ground water monitoring continued under New Jersey Department of Environmental Protection’s (NJDEP) Site Remediation Program regulations. PPPL monitored for non-radiological contaminants, mainly volatile organic compounds (components of common degreasing solvents). In 2021, PPPL complied with permit limits for surface and sanitary discharges. PPPL was honored with awards for EPEAT-certified electronics purchasing and use of peracetic acid as an alternative water treatment chemical in its non-potable process water systems an NJDEP recycling award.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Princeton Plasma Physics Laboratory Annual Site Environmental Report for Calendar Year 2024

This report provides the US Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. This report fulfills the annual public reporting requirements of DOE Order 231.1B. The results of PPPL’s 2024 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2024. PPPL has engaged in fusion energy research since 1951 and at its current locations since 1958. The Laboratory’s mission is to develop the scientific knowledge and advanced engineering to enable fusion to power the US and the world, and to develop the understanding of plasmas from the nano- to the astrophysical scale. PPPL’s primary experiment, the National Spherical Torus Experiment-Upgrade (NSTX-U) is a collaboration among national laboratories, universities, and national and international research institutions and is a major element in the US Fusion Energy Sciences Program. Its design tests the physics principles of spherical torus (ST) plasmas, playing an important role in the development of smaller, more economical fusion reactors. Due to previous operational issues, NSTX-U did not operate in 2024. PPPL is engaged in a project to replace key NSTX-U components and systems to enable the operation of this international magnetic fusion user facility. In 2024, PPPL’s radiological environmental monitoring program measured tritium in the air at onsite sampling stations. Using highly sensitive air monitors, PPPL is capable of detecting small changes in the ambient levels of tritium. The operation of monitors located on D-site is used to demonstrate compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPs) regulations. Also included in PPPL’s radiological environmental monitoring program, are water monitoring – ground, surface, and waste waters. PPPL’s radiological monitoring program characterized the background levels of tritium in the environment and those data are presented in this report. Ground water monitoring continued under New Jersey Department of Environmental Protection’s (NJDEP) Site Remediation Program regulations. PPPL monitored for nonradiological contaminants, mainly volatile organic compounds (components of common degreasing solvents). In 2024, PPPL complied with permit limits for surface water and sanitary wastewater discharges. PPPL was honored with an award for EPEAT-certified electronics purchasing from the Global Electronics Council on July 25, 2024.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

2022 Annual Site Environment Report, Princeton Plasma Physics Laboratory

This report provides the U.S. Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. This report fulfills the annual public reporting requirements of DOE Order 231.1B. The results of PPPL’s 2022 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2022. PPPL’s on-site operations started to be restored in 2022, following curtailments in 2020 and 2021 for the global coronavirus (COVID-19) pandemic. PPPL has engaged in fusion energy research since 1951 and at its current locations since 1958. The Laboratory’s mission is to develop the scientific knowledge and advanced engineering to enable fusion to power the U.S. and the world, and to develop the understanding of plasmas from the nano- to the astrophysical scale. PPPL’s primary experiment, the National Spherical Torus Experiment-Upgrade (NSTX-U) is a collaboration among national laboratories, universities, and national and international research institutions and is a major element in the US Fusion Energy Sciences Program. Its design tests the physics principles of spherical torus (ST) plasmas, playing an important role in the development of smaller, more economical fusion reactors. Due to previous operational issues, NSTX-U did not operate in 2022. PPPL is engaged in a project to replace key NSTX-U components and systems to enable the operation of this international magnetic fusion user facility. In 2022, PPPL’s radiological environmental monitoring program measured tritium in the air at onsite sampling stations. Using highly sensitive air monitors, PPPL is capable of detecting small changes in the ambient levels of tritium. The operation of monitors located on D-site is used to demonstrate compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPs) regulations. Also included in PPPL’s radiological environmental monitoring program, are water monitoring – ground, surface, and waste waters. PPPL’s radiological monitoring program characterized the background levels of tritium in the environment and those data are presented in this report. Ground water monitoring continued under New Jersey Department of Environmental Protection’s (NJDEP) Site Remediation Program regulations. PPPL monitored for non-radiological contaminants, mainly volatile organic compounds (components of common degreasing solvents). In 2022, PPPL complied with permit limits for surface water and sanitary wastewater discharges. PPPL was honored with an award for EPEAT-certified electronics purchasing from the Global Electronics Council.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Multi-level Monte Carlo methods in chemical applications with Lennard-Jones potentials and other landscapes with isolated singularities

We describe and compare outcomes of various Multi-Level Monte Carlo (MLMC) method variants, motivated by the potential of improved computational efficiency over rejection based Monte Carlo, which scales poorly with problem dimension. With an eye toward its application to computational chemical physics, we test MLMC's ability to sample trajectories on two problems — a familiar double-well potential, with known stationary distributions, and a Lennard-Jones solid potential (a Galton Board). By sampling Brownian motion trajectories, we are able to compute expectations of observable averages. These multi-basin potential energy problems capture the essence of the challenges with using MLMC, namely, maintaining correspondence of sample paths as time-resolution is varied. Addressing this challenge properly can lead to MLMC significantly outperforming standard Monte Carlo path sampling. We describe the essence of this problem and suggest strategies that circumvent diverging multilevel sample paths for an important class of problems. In the tests we also compare the computational cost of several, “adaptive,” variants of MLMC. Our results demonstrate that MLMC overcomes the collision, time scale limitation of the more familiar Brownian path MC samplers, and our implementation provides tunable error thresholds, making MLMC a promising candidate for application to larger and more complex molecular systems.

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

Comprehensive Battery Safety Risk Evaluation: Aged Cells versus Fresh Cells Upon Mechanical Abusive Loadings

Abstract Despite their wide applications, lithium‐ion batteries (LIBs) have been struggling with their safety risks arising from different lifetime stages. Here, the NCMA pouch cell is taken as an example, and the safety of both fresh and aged cells from three milestone stages, that is, internal short circuit (ISC) triggering risk, ISC mode, and the subsequent thermal runaway (TR) consequence is investigated. By combining mechanical abusive testing and physics‐based models on commercialized cells with various states‐of‐health (SOH) and states‐of‐charge, it is discovered that the ISC triggering delays with the decay of SOH and soft ISC mode will be triggered more frequently, which is mainly due to the mechanical behaviors of the current collectors. The temperature rises and peak temperature during the subsequent TR also become milder for aged cells due to the reduced capacity and deterministic soft ISC process. Results here provide a mechanistic explanation of the safety risk comparison between the fresh and aged cells, offering cornerstone guidance to the evaluation and design of next‐generation safer LIBs.

25 ENERGY STORAGE↗
DOE OSTI2019

Cancer Treatment-Associated Pericardial Disease: Epidemiology, Clinical Presentation, Diagnosis, and Management

Purpose of Review: Cancer therapeutics have seen tremendous growth in the last decade and have been effective in the treatment of several cancer types. However, with advanced therapies like kinase inhibitors and immunotherapies, there have been unintended consequences of cardiotoxicities. While traditional chemotherapy and radiation-induced cardiotoxicity have been well studied, further research is needed to understand the adverse effects of newer regimens. Recent Findings: Both immune-mediated and non-immune-medicated cytotoxicity have been noted with targeted therapies such as tyrosine kinase inhibitors and immune checkpoint inhibitors. In this manuscript, we describe the pericardial syndromes associated with cancer therapies and propose management strategies. Pericardial effusion and pericarditis are common presentations in cancer patients and often difficult to diagnose. Concomitant myocarditis may also present with pericardial toxicity, especially with immunotherapies. In addition to proper history and physical, additional testing such as cardiovascular imaging and tissue histology need to be obtained as appropriate. Holding the offending oncology drug, and institution of anti-inflammatory medications, and immunosuppressants such as steroids are indicated. Summary: A high index of suspicion, use of standardized definitions, and comprehensive evaluation are needed for early identification, appropriate treatment, and better outcomes for patients with cancer treatment-associated pericardial disease. Further research is needed to understand the pathophysiology and to evaluate how the management of pericardial conditions in these patients differ from traditional management and also evaluate new therapies.

62 RADIOLOGY AND NUCLEAR MEDICINE↗