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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The origin, transport, and evolution of ash in engine particulate filters

Engine particulate filters have been widely applied across the world to control engine exhaust particulate matter (or particulate number) emissions. With increasing vehicle mileage, ash accumulation deteriorates vehicle fuel economy and complicates on-board control. Extending filter service life with ash loading has significant economic and environmental impacts. Many studies have been conducted in characterizing ash accumulation and evaluating its impacts on filter performance. However, comprehensive reviews covering all the key issues in the field are rather rare. This paper reviews the extensive prior research on filter ash, and not only summarizes the experimental observations but also elucidates the fundamental mechanisms. The review covers the areas of ash origin, accumulation, transport, evolution, and artificial acceleration methods. The previously reported data of ash properties is compiled and analyzed. Furthermore, the advantages and disadvantages of ash acceleration approaches are also discussed in detail. Based on the cumulative understanding, a few potential ways to improve ash management are discussed in this paper. In summary, the present work systematically reviews the previous observations and understanding of ash aging in particulate filters and identifies areas that need further research, which can be useful guidance for future studies.

42 ENGINEERING↗
DOE OSTI2017

Evolution of the Reactor Antineutrino Flux and Spectrum at Daya Bay

Here, the Daya Bay experiment has observed correlations between reactor core fuel evolution and changes in the reactor antineutrino flux and energy spectrum. Four antineutrino detectors in two experimental halls were used to identify 2.2 million inverse beta decays (IBDs) over 1230 days spanning multiple fuel cycles for each of six 2.9 GW th reactor cores at the Daya Bay and Ling Ao nuclear power plants. Using detector data spanning effective 239 Pu fission fractions F 239 from 0.25 to 0.35, Daya Bay measures an average IBD yield ¯σf of (5.90±0.13)×10 –43 cm 2 /fission and a fuel-dependent variation in the IBD yield, dσ f /dF 239 , of (–1.86±0.18)×10 –43 cm 2 /fission. This observation rejects the hypothesis of a constant antineutrino flux as a function of the 239 Pu fission fraction at 10 standard deviations. The variation in IBD yield is found to be energy dependent, rejecting the hypothesis of a constant antineutrino energy spectrum at 5.1 standard deviations. While measurements of the evolution in the IBD spectrum show general agreement with predictions from recent reactor models, the measured evolution in total IBD yield disagrees with recent predictions at 3.1σ. This discrepancy indicates that an overall deficit in the measured flux with respect to predictions does not result from equal fractional deficits from the primary fission isotopes 235 U, 239 Pu, 238 U, and 241 Pu. Based on measured IBD yield variations, yields of (6.17±0.17) and (4.27±0.26)×10 –43 cm 2 /fission have been determined for the two dominant fission parent isotopes 235 U and 239 Pu. A 7.8% discrepancy between the observed and predicted 235 U yields suggests that this isotope may be the primary contributor to the reactor antineutrino anomaly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Phase-field modeling of diffusion bonding in 316H stainless steel: Impact of processing conditions on grain morphology and bonding quality

A novel multi-phase, multi-component phase‐field model is presented to study the diffusion bonding of 316H stainless steel. Combined with targeted experimental investigations, this model simulates the bond-growth process and predicts the bonding quality. Unlike previous models, our approach captures the simultaneous evolution of voids and grain structures, while quantifying bonding quality using defined bonding ratio. A comprehensive analysis of bond process control is performed by changing temperature, pressure and surface roughness observing the resulting bond structure, which is consistent with experimental observations and analytical predictions. Temperature is determined to be the dominant factor, with the transition from a flat to a robust bond occurring between 1000 °C and 1050 °C. At the ideal bonding temperature of 1050 °C, a surface roughness exceeding 0.6 μm or an applied stress below 4 MPa results in poor bonding quality. Beyond this, higher pressures and smoother surfaces reduce void size, accelerate void shrinkage, and lead to improved bond integrity. This diffuse-interface model can be extended to other material systems if supplied with appropriate thermodynamic and kinetic data. In conclusion, this makes it an effective modeling platform for optimizing high-temperature diffusion bonding and developing reliable bonded components such as compact heat exchangers.

Diffusion bonding↗
NASA NTRSDate not supplied

Validation of a Two-Phase CFD Model for Autogenous Pressurization and Expulsion

This paper presents a two-phase computational fluid dynamics (CFD) model for simulating autogenous pressurization and expulsion in a cryogenic liquid hydrogen storage tank, utilizing a volume-of-fluid (VOF) approach combined with the kinetics-based Schrage equation to accurately capture the phase boundary and interfacial heat, mass, and momentum transfer between vapor and liquid phases. The model is validated against experimental data from NASA's K-site tank facility, specifically experimental case 225, which involved autogenous pressurization and controlled expulsion of liquid hydrogen. Various turbulence models are evaluated to assess their influence on model accuracy. The CFD simulations successfully replicate key thermodynamic behaviors observed during the experiments, including pressure evolution, temperature profiles, and phase-change dynamics at the vapor-liquid interface. The predicted tank pressures and temperatures agree well with experimental data, whereas the pressurant mass predictions are within 16% of observed values. This study emphasizes the importance of selecting appropriate turbulence models to accurately simulate the complex flow and heat transfer phenomena during tank autogenous pressurization and expulsion. By improving the accuracy and reliability of CFD models for these processes, this research contributes to developing efficient cryogenic propellant management strategies for future space missions.

Computational Fluid Dynamics↗
DOE OSTI2016

Small-angle neutron scattering and molecular dynamics structural study of gelling DNA nanostars

DNA oligomers with properly designed sequences self-assemble into well defined constructs. Here, we exploit this methodology to produce bulk quantities of tetravalent DNA nanostars (each one composed of 196 nucleotides) and to explore the structural signatures of their aggregation process. We report small-angle neutron scattering experiments focused on the evaluation of both the form factor and the temperature evolution of the scattered intensity at a nanostar concentration where the system forms a tetravalent equilibrium gel. We also perform molecular dynamics simulations of one isolated tetramer to evaluate the form factor numerically, without resorting to any approximate shape. The numerical form factor is found to be in very good agreement with the experimental one. Simulations predict an essentially temperature-independent form factor, offering the possibility to extract the effective structure factor and its evolution during the equilibrium gelation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Design of Plant Gas Exchange Experiments in a Variable Pressure Growth Chamber

Sustainable human presence in extreme environments such as lunar and martian bases will require bioregenerative components to human life support systems where plants are used for generation of oxygen, food, and water. Reduced atmospheric pressures will be used to minimize mass and engineering requirements. Few studies have assessed the metabolic and developmental responses of plants to reduced pressure and varied oxygen atmospheres. The first tests of hypobaric pressures on plant gas exchange and biomass production at the Johnson Space Center will be initiated in January 1996 in the Variable Pressure Growth Chamber (VPGC), a large, closed plant growth chamber rated for 10.2 psi. Experiments were designed and protocols detailed for two complete growouts each of lettuce and wheat to generate a general database for human life support requirements and to answer questions about plant growth processes in reduced pressure and varied oxygen environments. The central objective of crop growth studies in the VPGC is to determine the influence of reduced pressure and reduced oxygen on the rates of photosynthesis, dark respiration, evapotranspiration and biomass production of lettuce and wheat. Due to the constraint of one experimental unit, internal controls, called pressure transients, will be used to evaluate rates of CO2 uptake, O2 evolution, and H2O generation. Pressure transients will give interpretive power to the results of repeated growouts at both reduced and ambient pressures. Other experiments involve the generation of response functions to partial pressures of O2 and CO2 and to light intensity. Protocol for determining and calculating rates of gas exchange have been detailed. In order to build these databases and implement the necessary treatment combinations in short time periods, specific requirements for gas injections and removals have been defined. A set of system capability checks will include determination of leakage rates conducted prior to the actual crop growouts. Schedules of experimental events for lettuce and wheat are outlined and include replications in time of diurnal routines, pressure transients, variable pO2, pO2/pCO2 ratio, and light intensity responses.

Corey, Kenneth A.↗
DOE OSTI2025

Direct Imaging of Hydrogen‐Driven Dislocation and Strain Field Evolution in a Stainless Steel Grain

Hydrogen embrittlement (HE) poses a significant challenge to the durability of materials used in hydrogen production and utilization. Disentangling the competing nanoscale mechanisms driving HE often relies on simulations and electron-transparent sample techniques, limiting experimental insights into hydrogen-induced dislocation behavior in bulk materials. This study employs in situ Bragg coherent X-ray diffraction imaging to track three-dimensional (3D) dislocation and strain field evolution during hydrogen charging in a bulk grain of austenitic 316 stainless steel. Tracking a single dislocation reveals hydrogen-enhanced mobility and relaxation, consistent with dislocation dynamics simulations. Subsequent observations reveal dislocation unpinning and climb processes, likely driven by osmotic forces. Additionally, nanoscale strain analysis around the dislocation core directly measures hydrogen-induced elastic shielding. These findings experimentally validate theoretical predictions and offer mechanistic insights into hydrogen-driven dislocation behavior. The quantified nanoscale phenomena serve as critical inputs for multiscale modeling frameworks to predict bulk material responses and accelerate the development of HE-resistant alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

Database Design Strategies for Coordinated Simulation and Testing in Additive Manufacturing

The qualification and certification (Q&C) process presents a significant challenge for widespread adoption of additive manufacturing (AM) materials and processes for aerospace applications. A relational database framework will be presented as a tool for data curation of coordinated experimental and computational materials modeling research activities. A comparison of relational and hierarchical data structures in this domain will be emphasized through the evolution of a database design strategy. This framework’s mission is to support the advancement of computational materials-informed Q&C by providing the necessary data infrastructure to trace reliability and reproducibility measures through unified AM materials simulation and experimental testing. FAIR (findable, accessible, interoperable, and reusable) data will be highlighted as a necessary precursor for automation of specific actions, which ultimately reduces the time and expense burden for Q&C. The discussion will be mostly limited to back-end design elements, though a few front-end user experience examples will also be shared.

Qualification↗
DOE OSTI2021

Strengthening of tungsten by coherent rhenium precipitates formed during low fluence irradiation

Experimental data show that the accumulation of rhenium and osmium from transmutation reactions severely affect the microstructural evolution and property degradation of tungsten-based materials under neutron irradiation. Theory and modeling have confirmed that Re atom transport in W is by irradiation-produced migrating self-interstitial atoms. With this diffusion mode in operation, a specific microstructure evolution is realized when at relatively low neutron fluence the Re-rich precipitates are formed, while the void and interstitial loop population development is suppressed, affecting the mechanical properties. Here, this research shows the effect of small coherent Re-rich precipitates on the dislocation glide under stress, investigated using the molecular dynamics approach with empirical interatomic potentials. The results are compared with an earlier simulation of void hardening in W. It is demonstrated that small coherent Re-rich precipitates of less than 6 nm diameter represent relatively weak obstacles for moving edge dislocations. The implication of these results on the interpretation of experimental results is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Single-shot mega-electronvolt ultrafast electron diffraction for structure dynamic studies of warm dense matter

We have developed a single-shot mega-electronvolt ultrafast-electron-diffraction system to measure the structural dynamics of warm dense matter. The electron probe in this system is featured by a kinetic energy of 3.2 MeV and a total charge of 20 fC, with the FWHM pulse duration and spot size at sample of 350 fs and 120 μm respectively. We demonstrate its unique capability by visualizing the atomic structural changes of warm dense gold formed from a laser-excited 35-nm freestanding single-crystal gold foil. The temporal evolution of the Bragg peak intensity and of the liquid signal during solid-liquid phase transition are quantitatively determined. This experimental capability opens up an exciting opportunity to unravel the atomic dynamics of structural phase transitions in warm dense matter regime.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Experimental investigation on the effect of plasma jet in the triggered discharge process of a gas switch

The temporal and spatial evolution of a plasma jet generated by a spark discharge was observed. The electron temperature and density were obtained under different time and gas pressures by optical emission spectroscopy. Moreover, the discharge process of the plasma-jet triggered gas switch was recorded and analyzed at the lowest working coefficient. The results showed that the plasma jet moved forward in a bullet mode, and the advancing velocity increased with the decrease of pressure, and decreased with time growing. At initial time, the maximum velocity of a plasma jet could reach 3.68 × 10{sup 6 }cm/s. The electron temperature decreased from 2.0 eV to 1.3 eV, and the electron density increased from 3.1 × 10{sup 15}/cm{sup 3} to 6.3 × 10{sup 15}/cm{sup 3} at the initial moment as the gas pressure increases from 0.1 MPa to 0.32 MPa. For a two-gap gas switch, the discharge performances were more depended on the second discharge spark gap (gap 2). Because plasma jet promoted the discharge in Gap 2, the gas switch operating in mode II had better triggered discharge characteristics. In the discharge process, the plasma-jet triggering had the effect of non-penetrating inducing, which not only provided initial electrons for reducing statistical lag but also enhanced the local electric field. The discharge was initiated and accelerated from electron avalanche to streamer. Therefore, a fast discharge was occurred in the gas switch.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRSDate not supplied

Validation of a Two-Phase CFD Model for Autogenous Pressurization and Expulsion

This paper presents a two-phase computational fluid dynamics (CFD) model for simulating autogenous pressurization and expulsion in a cryogenic liquid hydrogen storage tank, utilizing a volume-of-fluid (VOF) approach combined with the kinetics-based Schrage equation to accurately capture the phase boundary and interfacial heat, mass, and momentum transfer between liquid and vapor phases. The model is validated against experimental data from NASA's K-site tank facility, specifically experimental case 225, which involved pressurization and controlled expulsion of liquid hydrogen. Various turbulence models are evaluated to assess their influence on model accuracy. The CFD simulations successfully replicate key thermodynamic behaviors observed during the experiments, including pressure evolution, temperature profiles, and phase-change dynamics at the vapor-liquid interface. The predicted tank pressures, temperatures, and pressurant requirements agree with experimental data, with pressurant mass predictions within 16\% of observed values. This study highlights the importance of selecting appropriate turbulence models to accurately simulate complex flow and heat transfer phenomena during tank pressurization and expulsion. By enhancing the accuracy and reliability of CFD models for liquid hydrogen under cryogenic conditions, this research contributes to developing efficient cryogenic propellant management strategies for future space missions.

Computational Fluid Dynamics↗
NASA NTRS2007

Development of Hairpin Vortices in Turbulent Spots and End-Wall Transition

The end-stage phase of boundary layer transition is characterized by the development of hairpin-like vortices which evolve rapidly into patches of turbulent behavior. In general, the characteristics of the evolution form this hairpin stage to the turbulent stage is poorly understood, which has prompted the present experimental examination of hairpin vortex development and growth processes. Two topics of particular relevance to the workshop focus will be covered: 1) the growth of turbulent spots through the generatio and amalgamation of hairpin-like vortices, and 2) the development of hairpin vortices during transition in an end-wall junction flow. Brief summaries of these studies are described below. Using controlled generation of hairpin vortices by surface injection in a critical laminar boundary layer, detailed flow visualization studies have been done of the phases of growth of single hairpin vortices, from the initial hairgin generation, through the systematic generation of secondary hairpin-like flow structures, culminating in the evolution to a turbulent spot. The key to the growth process is strong vortex-surface interactions, which give rise to strong eruptive events adjacent to the surface, which results in the generation of subsequent hairpin vortex structures due to inviscid-viscuous interactions between the eruptive events and the free steam fluid. The general process of vortex-surface fluid interaction, coupled with subsequent interactions and amalgamation of the generated multiple hairpin-type vortices, is demonstrated as a physical mechanism for the growth and development of turbulent spots. When a boundary layer flow along a surface encounters a bluff body obstruction extending from the surface (such as cylinder or wing), the strong adverse pressure gradients generated by these types of flows result in the concentration of the impinging vorticity into a system of discrete vortices near the end-wall juncture of the obstruction, with the extensions of the vortices engirdling the obstruction to form "necklace" or "horseshoe" vortices. Recent hydrogen bubble and particle image visualization have shown that as Reynolds number is increased for a laminar approach flow, the flow will become critical, and a destabilization of the necklace vortices results in the development of an azimuthal waviness, or "kinks", in the vortices. These vortex kinks are accentuated by Biot-Savart effects, causing portions of a distorted necklace vortex to make a rapid approach to the surface, precipitating processes of localized, three-dimensional surface interactions. These interactions result in the rapid generation, focussing, and ejection of thin tongues of surface fluid, which rapidly roll-over and appear as hairpin vortices in the junction region. Subsequent amalgamation of these hairpin vortices with the necklace vortices produces a complex transitional-type flow. A presentation of key results from both these studies will be done, emphasizing both the ubiquity of such hairpin-type flow structures in manifold transitional-type flows, and the importance of vortex-surface interactions n the development of hairpin vortices.

Smith, Charles R.↗
DOE OSTI2019

Comparative genomics can provide new insights into the evolutionary mechanisms and gene function in CAM plants

Abstract Crassulacean acid metabolism (CAM) photosynthesis is an important biological innovation enabling plant adaptation to hot and dry environments. CAM plants feature high water-use efficiency, with potential for sustainable crop production under water-limited conditions. A deep understanding of CAM-related gene function and molecular evolution of CAM plants is critical for exploiting the potential of engineering CAM into C3 crops to enhance crop production on semi-arid or marginal agricultural lands. With the newly emerging genomics resources for multiple CAM species, progress has been made in comparative genomics studies on the molecular basis and subsequently on the evolution of CAM. Here, recent advances in CAM comparative genomics research in constitutive and facultative CAM plants are reviewed, with a focus on the analyses of DNA/protein sequences and gene expression to provide new insights into the path and driving force of CAM evolution and to identify candidate genes involved in CAM-related biological processes. Potential applications of new computational and experimental technologies (e.g. CRISPR/Cas-mediated genome-editing technology) to the comparative and evolutionary genomics research on CAM plants are offered.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

A Method for Including Diffusive Effects in Texture Evolution

This work describes a model for representing grain misorientation in continuum models for texture evolution. The model relies on a connection, derived here, between the fluctuation of the reorientation velocity in discrete models of texture evolution and an isotropic diffusion operator that can be used to represent misorientation effects in continuum models for texture evolution. Previous work has developed a method for computing the fluctuation of the reorientation velocity in discrete models. These values, along with the average reorientation velocity, are used to set up inhomogeneous continuum advection and diffusion operators. Here, the complete homogenized continuum model uses the discrete harmonics to represent and evolve the orientation distribution function, now including a diffusion operator representing the effects of intragranular misorientation. Results from the new model are compared to fully-resolved crystal plasticity finite element simulations and experimental data to demonstrate the accuracy of the proposed diffusion operator and the overall method for simulating texture evolution.

(B) crystal plasticity↗
DOE OSTI2025

Kernel methods for evolution of generalized parton distributions

Generalized parton distributions (GPDs) characterize the 3-dimensional structure of hadrons, combining information about their internal quark and gluon longitudinal momentum distributions and transverse position within the hadron. The dependence of GPDs on the factorization scale Q 2 allows one to connect hard exclusive processes involving GPDs at disparate energy and momentum scales, which is needed in global analyses of experimental data. Here, in this work, we explore how finite element methods can be used to construct fast and differentiable Q 2 evolution codes for GPDs in momentum space, which can be used in a machine learning framework. We show numerical benchmarks of the methods' accuracy, including a comparison to an existing evolution code from PARTONS/APFEL++, and provide a repository where the code can be accessed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents

Deep eutectic solvents (DESs) are an emerging class of non-aqueous solvents that are potentially scalable, easy to prepare and functionalize for many applications ranging from biomass processing to energy storage technologies. Predictive understanding of the fundamental correlations between local structure and macroscopic properties is needed to exploit the large design space and tunability of DESs for specific applications. Here, we employ a range of computational and experimental techniques that span length-scales from molecular to macroscopic and timescales from picoseconds to seconds to study the evolution of structure and dynamics in model DESs, namely Glyceline and Ethaline, starting from the parent compounds. We show that systematic addition of choline chloride leads to microscopic heterogeneities that alter the primary structural relaxation in glycerol and ethylene glycol and result in new dynamic modes that are strongly correlated to the macroscopic properties of the DES formed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Atomistically-informed modeling of point defect clustering and evolution in irradiated ThO 2

A cluster dynamics (CD) model has been developed to investigate the nucleation and growth of point defect clusters, i.e., interstitial prismatic loops and nanoscale and sub-nanoscale voids, in ThO 2 during irradiation by energetic particles. The model considers cluster off-stoichiometry due to the asymmetry of point defect generation on the O and Th sublattices under irradiation, as well as the point defect diffusivities and the defect binding energies to clusters. The energies were established using detailed molecular dynamics simulations considering the statistical variability of cluster configuration. A high-order adaptive time-integration has been used to solve the model. The predicted loop density and their average size is in good agreement with reported experimental observations for proton irradiated ThO 2 at 600°C. In conclusion, the model did not predict void evolution due to the sluggish kinetics of cation vacancies, explaining the absence of voids in proton irradiated ThO 2 (and other oxides) at relatively low temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗