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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Effect of an oxide layer on high velocity impact of tantalum particles characterized using molecular dynamics

Micro-cold spray, also commonly referred to as the aerosol deposition method or vacuum kinetic spraying, is a process for depositing nanostructured films of metals and ceramics by impacting solid nanoparticles at high velocity onto a substrate at room temperature and at low pressures. Tantalum films deposited by micro-cold spray are desirable because tantalum is non-reactive to certain molten metals and can therefore serve as a non-reactive barrier coating. However, unlike most other metals deposited by micro-cold spray, tantalum quickly forms an oxide layer when exposed to air. In the deposition of films using traditional cold spray with much larger particles, native oxides must fracture for particle–substrate bonding to occur. Furthermore, the fraction of the particle that is oxidized in micro-cold spray and the strain rates experienced by the particles upon impact are both much larger than in cold spray, suggesting that the role of the oxide on film deposition may be distinct. The effect of this oxide layer on particle deformation and adherence to a substrate under high strain rates is studied using molecular dynamics simulations. The effect of oxide layer thickness, particle diameter, and impact velocity are examined.

42 ENGINEERING↗
DOE OSTI2024

A Fresh Take: Seasonal Changes in Terrestrial Freshwater Inputs Impact Salt Marsh Hydrology and Vegetation Dynamics

Abstract Salt marshes exist at the terrestrial-marine interface, providing important ecosystem services such as nutrient cycling and carbon sequestration. Tidal inputs play a dominant role in salt marsh porewater mixing, and terrestrially derived freshwater inputs are increasingly recognized as important sources of water and solutes to intertidal wetlands. However, there remains a critical gap in understanding the role of freshwater inputs on salt marsh hydrology, and how this may impact marsh subsurface salinity and plant productivity. Here, we address this knowledge gap by examining the hydrologic behavior, porewater salinity, and pickleweed ( Sarcocornia pacifica also known as Salicornia pacifica) plant productivity along a salt marsh transect in an estuary along the central coast of California. Through the installation of a suite of hydrometric sensors and routine porewater sampling and vegetation surveys, we sought to understand how seasonal changes in terrestrial freshwater inputs impact salt marsh ecohydrologic processes. We found that salt marsh porewater salinity, shallow subsurface saturation, and pickleweed productivity are closely coupled with elevated upland water level during the winter and spring, and more influenced by tidal inputs during the summer and fall. This seasonal response indicates a switch in salt marsh hydrologic connectivity with the terrestrial upland that impacts ecosystem functioning. Through elucidating the interannual impacts of drought on salt marsh hydrology, we found that the severity of drought and historical precipitation can impact contemporary hydrologic behavior and the duration and timing of the upland-marsh hydrologic connectivity. This implies that the sensitivity of salt marshes to climate change involves a complex interaction between sea level rise and freshwater inputs that vary at seasonal to interannual timescales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Estimating Spatial Distribution Impacts of Rooftops Solar PV on Dynamic Hosting Capacity Evaluation for a Real Distribution Feeder

This paper models the sensitivity of dynamic hosting capacity analysis to the spatial distribution of distributed PV scenarios, random, close and far from substation deployments, at various penetration levels on a real distribution feeder, in a quasi-static time series (QSTS) power flow simulation using high resolution time-aware metrics. These spatial distribution scenarios were chosen to capture a wide range of potential operation impacts of these deployments using a set of thermaland voltage-based metrics such as instantaneous violations and moving averages for both thermal and voltage constraints. This study uses actual load and PV data up-scaled from 1-hour time step to 1-minute resolution to fully characterize the interaction between the daily changes in load and PV output, and their impacts on distribution system operations.

distribution system↗
DOE OSTI2024

Observation and Modeling of Dynamic Fracture Behaviors of Battery Cell Under Impact Loading Using Enhanced Representative Volume Element Concept

The burgeoning electric automobile industry has increased interest in battery safety. Battery cells experience significant mechanical stress during operation, including the impact of accidents and vibrations from driving. The potential for thermal runaway reactions in battery cells raises safety concerns. Although numerous researchers have defined the dynamic behavior of battery cells and proposed numerical models to describe it, few studies have focused on the high-strain rate mechanical impact phase correlated with the onset of fracture. In this study, we describe the dynamic behavior of pouch battery cells and propose a modeling method to study their mechanical failure under impact situations. Impact tests are conducted at various velocities and heights. To overcome numerical issues commonly encountered under rapid deformation scenarios, a new finite element model is developed based on the representative volume element model. The proposed approach efficiently simulates continuous crack propagation and brittleness behavior during impact by permitting the individual behavior of the cell components. Therefore, engineers can reliably design safer electric vehicle battery cells by measuring the properties of the cell components.

ENERGY STORAGE↗
DOE OSTI2021

Integrated model predictions on the impact of substrate damage on gas dynamics during ITER burning-plasma operations

Divertor design and choice of plasma-facing materials (PFM) will be essential to the success of next-generation fusion reactors as they operate under more powerful scenarios. Understanding and controlling interactions between the plasma and PFM is essential to making these choices. Within these plasma–material interactions and especially in tungsten (W), the interplay between the most abundant plasma species (hydrogen isotopes and helium, He) with the wall material alters fuel retention. However, this interplay is yet to be sufficiently understood to confidently project fuel retention levels to future fusion devices. The paper presents a series of integrated simulations of fusion plasmas and their interaction with tungsten. Specifically, this study assesses the impact of He plasma pre-exposure on hydrogenic species retention during 100 s of burning plasma operations (BPO) in ITER. Multiple pre-exposure scenarios are considered, including sub-surface damage resulting from exposures in the linear device PISCES and from early ITER He-operation. The predictions from these consecutive He-BPO exposures show that fuel content and spatial distribution in the material are largely determined by the He-induced damage, as manifest in: (i) changes in surface temperature expected during BPO have little effect on fuel retention in the presence of He-induced damage; (ii) gas content stabilizes quickly in substrates pre-exposed in PISCES, at levels set by the concentration of pre-existing vacancies, while it continues to increase in substrates initially pristine or pre-exposed to ITER He plasmas; (iii) the presence of He and He–V clusters in the near-surface region locally increases hydrogenic retention, but decreases its permeation; this results in hydrogenic species that remain closer to the surface in pre-damaged substrates, while the bulk content is higher for initially pristine cases. In summary, the interaction and binding of D and T with the pre-existing He–V clusters modifies retention and permeation of hydrogen species during ITER BPO.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Quantifying Bulk and Surface Recombination in CdTe Solar Cells Using Time-Resolved Terahertz Spectroscopy

Understanding the nature of recombination mechanisms is essential for higher power conversion efficiency in photovoltaic (PV) devices. Here we use a combination of time-resolved terahertz spectroscopy and numerical modeling to determine the bulk Shockley-Read-Hall lifetime and interface and back surface recombination velocities in CdTe thin film stacks. Furthermore, the measurement was facilitated by fabricating wire-grid device structures using conventional laser scribing. Evaluation of a glass/FTO/SnO2/CdS/CdTe stack treated with CdCl2 allowed separation of the CdTe absorber bulk lifetime, 1.6 ns, from the back surface recombination velocity, ~6x10 4 cm/s, and indicated that CdTe/CdS interface recombination velocity had no significant impact on carrier dynamics.

14 SOLAR ENERGY↗
DOE OSTI2025

Impact of neutrino flavor conversions on neutron star merger dynamics, ejecta, nucleosynthesis, and multimessenger signals

We present numerical relativity simulations of binary neutron star mergers incorporating neutrino flavor transformations triggered by fast flavor instability, quantum many-body effects, or potential beyond standard model physics. In both long-lived and short-lived remnant scenarios, neutrino flavor conversions modify species-dependent neutrino luminosities and mean energies, and drive the matter towards more neutron rich conditions. They produce up to more neutron rich ejecta and significantly boost the r-process yields, especially in low-density, near-equatorial outflows. We identify regions unstable to fast flavor instabilities and find that these instabilities persist despite flavor conversions. We further test the sensitivity to the equilibration timescale of the flavor conversions, finding that slower flavor conversions can interact with thermodynamic equilibration, and increase the neutron richness of the ejecta. Flavor conversions may also contribute to stronger gravitational wave and neutrino emissions, pointing to a correlation between neutrino transport and merger dynamics. Furthermore, these results highlight the potential impact of flavor conversions while motivating future work to improve on theoretical understanding of flavor instabilities in global simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Dynamical responses of constrained pipe conveying fluids and its dependence on the modeling of the contact force

Accurately modeling the impact force used in the analysis of loosely constrained cantilevered pipes conveying fluid is imperative. If little information is known of the motion-limiting constraints used in experiments, the analysis of the system may yield inaccurate predictions. Here in this work, multiple forcing representations of the impact force are defined and analyzed for a cantilevered pipe that conveys fluid. Depending on the representation of the impact force, the dynamics of the pipe can vary greatly when only the stiffness of the constraints is known from experiments. Three gap sizes of the constraints are analyzed, and the representation of the impact force used to analyze the system is found to significantly affect the response of the pipe at each gap size. An investigation on the effects of the vibro-impact force representation is performed through using basin of attraction analysis and nonlinear characterization of the system’s response.

42 ENGINEERING↗
DOE OSTI2025

Probing the Impact of Vacancy Diffusion on Void Dynamics at the Lithium Metal–Solid Electrolyte Interface

Lithium (Li) metal-based solid-state batteries (SSBs) are considered promising candidates for next-generation energy storage due to their superior energy density and enhanced safety compared to conventional Li-ion systems. However, their practical application is limited by challenges such as void formation at the Li-solid electrolyte (SE) interface, which disrupts ion transport and accelerates interfacial degradation. This work investigates how the coupled effects of electro-dissolution kinetics and surface diffusion at the Li metal surface govern the evolution of interfacial morphology during stripping. This work examines the influence of three distinct surface diffusion modes, which are terrace diffusion, step diffusion, and interlayer diffusion, on maintaining interfacial stability. In addition, how the dominant surface diffusion mechanism can overcome the contact loss due to high reaction kinetics is explored. Furthermore, the roughness of the Li metal anode surface is quantified, and the influence of different diffusion mechanisms on the evolution of the dynamic solid–solid interface is examined. The critical role of temperature in enhancing Li surface diffusivity and expanding the regime of stable contact is highlighted. By identifying distinct regimes of interface stability, this study analyzes how non-uniform electrochemical dynamics dictate void morphology evolution and interfacial contact. These insights offer guiding principles for engineering robust Li–SE interfaces in SSBs.

lithium metal anode↗
DOE OSTI2022

COVID-19 Impact on Prison Population and Flow Dynamics

The goal of this project was to develop a unique, high-level, concept model that will (1) help examine the consequences COVID-19 has had on prison population and flow dynamics in Illinois and (2) explore (to the extent possible) how that will unfold in the short- and mid-term future. Argonne has unique expertise in dynamic systems modeling and highly specialized simulation capabilities, which will be helpful in developing such a model. The ultimate objective of this CRADA is to develop with the Illinois Public Sentencing Policy Advisory Council (SPAC) the capability to identify and understand factors and interactions associated with prison population and flow dynamics in Illinois. This understanding will then potentially lead to improvements in the allocation of various resources and services. This approach would also be useful to all other states.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Simulation of dislocation evolution in microparticle impacts over a wide range of impact velocities

We report the dynamic loading environment created by high velocity microparticle impacts is very difficult to model. The extremely high strain rates, large deformations, and high temperatures affect the flow stress of the material in ways that standard flow stress models cannot capture. Plastic deformation and strain hardening in metals is controlled by the motion of dislocations. Dislocations can be nucleated, stored as forest dislocations, or be annihilated as loading progresses. A comprehensive accounting of dislocation density change is needed to accurately describe rate and temperature dependent dislocation glide and evolution across the wide rage of loading conditions present in microparticle impact problems. Therefore, we implement and apply a newly proposed flow stress model (Hunter and Preston, 2015, 2022) that is then coupled with mobile and immobile dislocation density evolution equations. This model is implemented in Los Alamos National Laboratory’s hydrodynamics code, FLAG, to model copper-on-copper microparticle impacts. This new strength model allows for accurate simulation of particle rebound and flattening across a wide range of impact velocities.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The persistence and conversion of coastal foredune and swale vegetation community distributions 63 years later

Vegetation shifts can directly alter habitat dynamics and indirectly impact habitat stability relative to disturbance response. Barrier island dune habitats exhibit spatiotemporally dynamic topography that is affected by vegetation. However, vegetation distribution data can be rare and vegetation persistence is largely unknown such that species turnover over in communities can occur unnoticed. This is true despite concerns and documented cases of woody encroachment related to climate change in these ecogeomorphic habitats where physical stability to resist storm erosion varies with vegetation distribution and density. In 1956 and 1957, the vegetation of Island Beach State Park, NJ, was mapped as a permanent record for subsequent ecological study. In June 2020, we remapped the vegetation of 5.4 of 17 km north to south, seaward of the thicket community boundary. We maintained the same classification system as the historic record, physically mapping vegetation patches via GPS. We quantified changes in thicket, heather, and grass community distribution between the two time periods. Habitat persistence and conversion varied in the 63 years. Heath communities saw 80%–97% habitat loss in conversion to woody thicket. Conversely, thicket community distribution drastically increased, replacing heath where it was previously prevalent. This represents the first known documented instances of woody encroachment for Morella pensylvanica. When they did not expand, thicket communities receded landward or underwent turnover to an invasive species. Woody species of interest for dune stabilization occupied areas of similar habitat characteristics. Dune vegetation distribution persistence from 1957 to 2020 was relatively consistent and stable with the exception of heath habitat conversion. Barrier island stability is directly related to vegetation stability such that understanding where community shifts might occur over time can aid in managing and modeling efforts surrounding these dynamic ecogeomorphic habitats.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Data for Soil Oxygen Dynamics: A Key Mediator of Tile Drainage Impacts on Coupled Hydrological, Biogeochemical, and Crop Systems

Tile drainage removes excess water and is an essential, widely adopted management practice to enhance crop productivity in the US Midwest and throughout the world. Tile drainage has been shown to significantly change hydrological and biogeochemical cycles by lowering the water table and reducing the residence time of soil water, although examining the complex interactions and feedbacks in an integrated hydrology–biogeochemistry–crop system remains elusive. Oxygen dynamics are critical to unraveling these interactions and have been ignored or oversimplified in existing models. Understanding these impacts is essential, particularly so because tile drainage has been highlighted as an adaptation under projected wetter springs and drier summers in the changing climate in the US Midwest. We used the ecosys model that uniquely incorporates first-principle soil oxygen dynamics and crop oxygen uptake mechanisms to quantify the impacts of tile drainage on hydrological and biogeochemical cycles and crop growth in corn–soybean rotation fields. The model was validated with data from a multi-treatment, multi-year experiment in Washington, IA. The relative root mean square error (rRMSE) for the corn and soybean yield in validation is 5.66 % and 12.57 %, respectively. The Pearson coefficient (r) of the monthly tile flow during the growing season is 0.78. Plant oxygen stress turns out as an emergent property of the equilibrium between the soil oxygen supply and biological demand. The impact of tile drainage on the system is achieved through a series of coupled feedback mechanisms. The model results show that tile drainage reduces the soil water content and enhances soil oxygenation. It additionally increases the subsurface discharge and elevates inorganic nitrogen leaching, with seasonal variations influenced by climate and crop phenology. The improved aerobic condition alleviates crop oxygen stress during wet springs, thereby promoting crop root growth during the early growth stage. The development of greater root density, in turn, mitigates water stress during dry summers, leading to an overall increase in the crop yield by ∼6 %. These functions indicate the potential of tile drainage in bolstering crop resilience to climate change and the use of this modeling tool for large-scale assessments of tile drainage. The model reveals the underlying causal mechanisms that drive the agroecosystem response to drainage on the coupled hydrology, biogeochemistry, and crop system dynamics.

Modeling↗
DOE OSTI2025

Soil oxygen dynamics: a key mediator of tile drainage impacts on coupled hydrological, biogeochemical, and crop systems

Tile drainage removes excess water and is an essential, widely adopted management practice to enhance crop productivity in the US Midwest and throughout the world. Tile drainage has been shown to significantly change hydrological and biogeochemical cycles by lowering the water table and reducing the residence time of soil water, although examining the complex interactions and feedbacks in an integrated hydrology–biogeochemistry–crop system remains elusive. Oxygen dynamics are critical to unraveling these interactions and have been ignored or oversimplified in existing models. Understanding these impacts is essential, particularly so because tile drainage has been highlighted as an adaptation under projected wetter springs and drier summers in the changing climate in the US Midwest. We used the ecosys model that uniquely incorporates first-principle soil oxygen dynamics and crop oxygen uptake mechanisms to quantify the impacts of tile drainage on hydrological and biogeochemical cycles and crop growth in corn–soybean rotation fields. The model was validated with data from a multi-treatment, multi-year experiment in Washington, IA. The relative root mean square error (rRMSE) for the corn and soybean yield in validation is 5.66 % and 12.57 %, respectively. The Pearson coefficient (r) of the monthly tile flow during the growing season is 0.78. Plant oxygen stress turns out as an emergent property of the equilibrium between the soil oxygen supply and biological demand. The impact of tile drainage on the system is achieved through a series of coupled feedback mechanisms. The model results show that tile drainage reduces the soil water content and enhances soil oxygenation. It additionally increases the subsurface discharge and elevates inorganic nitrogen leaching, with seasonal variations influenced by climate and crop phenology. The improved aerobic condition alleviates crop oxygen stress during wet springs, thereby promoting crop root growth during the early growth stage. The development of greater root density, in turn, mitigates water stress during dry summers, leading to an overall increase in the crop yield by ∼6 %. These functions indicate the potential of tile drainage in bolstering crop resilience to climate change and the use of this modeling tool for large-scale assessments of tile drainage. The model reveals the underlying causal mechanisms that drive the agroecosystem response to drainage on the coupled hydrology, biogeochemistry, and crop system dynamics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Effect of Topology on Transient Dynamic and Shock Response of Polymeric Lattice Structures

Architected cellular materials, such as lattice structures, offer potential for tunable mechanical properties for dynamic applications of energy absorption and impact mitigation. In this work, the static and dynamic behavior of polymeric lattice structures was investigated through experiments on octet-truss, Kelvin, and cubic topologies with relative densities around 8%. Here, dynamic testing was conducted via direct impact experiments (25–70 m/s) with high-speed imaging coupled with digital image correlation and a polycarbonate Hopkinson pressure bar. Mechanical properties such as elastic wave speed, deformation modes, failure properties, particle velocities, and stress histories were extracted from experimental results. At low impact velocities, a transient dynamic response was observed which was composed of a compaction front initiating at the impact surface and additional deformation bands whose characteristics matched low strain-rate behavior. For higher impact velocities, shock analysis was carried out using compaction wave velocity and Eulerian Rankine–Hugoniot jump conditions with parameters determined from full-field measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Unraveling the influence of microbial necromass on subsurface microbiomes: metabolite utilization and community dynamics

The role of microbial necromass (nonliving microbial biomass), a significant component of belowground organic carbon, in nutrient cycling and its impact on the dynamics of microbial communities in subsurface systems remains poorly understood. It is currently unclear whether necromass metabolites from various microbes are different, whether certain groups of metabolites are preferentially utilized over others, or whether different microbial species respond to various necromass metabolites. In this study, we aimed to fill these knowledge gaps by designing enrichments with necromass as the sole nutrient source for subsurface microbial communities. We used the soluble fraction of necromass from bacterial isolates belonging to Arthrobacter, Agrobacterium, and Pseudomonas genera, and our results indicate that metabolite composition of necromass varied slightly across different strains but generally included amino acids, organic acids, and nucleic acid constituents. Arthrobacter-derived necromass appeared more recalcitrant. Necromass metabolites enriched diverse microbial genera, particularly Massilia sp. responded quickly regardless of the necromass source. Despite differences in necromass utilization, microbial community composition converged rapidly over time across the three different necromass amendments. Uracil, xanthine, valine, and phosphate-containing isomers were generally depleted over time, indicating microbial assimilation for maintenance and growth. However, numerous easily assimilable metabolites were not significantly depleted, suggesting efficient necromass recycling and the potential for necromass stabilization in systems. This study highlights the dynamic interactions between microbial necromass metabolites and subsurface microbial communities, revealing both selective utilization and rapid community and necromass convergence regardless of the necromass source.

59 BASIC BIOLOGICAL SCIENCES↗