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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A Model to Account for the Effects of Load Ratio and Hydrogen Pressure on the Fatigue Crack Growth Behavior of Pressure Vessel Steels

A phenomenological model for estimating the effects of load ratio R and hydrogen pressure P H2 on the hydrogen-assisted fatigue crack growth rate (HA–FCGR) behavior in the transient and steady-state regimes of pressure vessel steels is described. The “transient regime” is identified with crack growth within a severely embrittled zone of intense plasticity at the crack tip. The “steady-state” behavior is associated with the crack growing into a region of comparatively lower hydrogen concentration located further away from the crack tip. The model treats the effects of R and P H2 as being functionally separable. In the transient regime, the effects of the hydrogen pressure on the HA–FCGR behavior were negligible but were significant in the steady-state regime. The hydrogen concentration in the steady-state region is modeled as being dependent on the kinetics of lattice diffusion, which is sensitive to pressure. Experimental HA–FCGR data from the literature were used to validate the model. The new model was shown to be valid over a wide range of conditions that ranged between –1 ≤ R ≤ 0.8 and 0.02 ≤ P H2 ≤ 103 MPa for pressure vessel steels.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Structural and phonon anomalies in the superconducting Bi 2 Sr 2 CaCu 2 O 8+σ with varying doping level at high pressures

Here we examined the effect of the lattice compression on the crystal structure of the Bi 2 Sr 2 CaCu 2 O 8+σ superconductor with nearly optimally doped and overdoped composition using X-ray diffraction technique. Our studies show that at high pressures (up to 30 GPa ) the doping level does not affect the crystal structure of this superconductor. Along with this, structural anomalies in ratio appear at a pressure that corresponds to that at which T c begins to decrease. This fact indicates a close connection between the observed anomalies and superconductivity. We also studied the effect of doping and pressure on the T c (P) and on the Raman active lattice modes of the Bi 2 Sr 2 CaCu 2 O 8+σ superconductors. We find universal suppression of the T c by the pressure starting from the critical pressure P c in the range from 9 to 16 GPa, depending on the doping level of the Bi 2 Sr 2 CaCu 2 O 8+σ samples. Concomitantly, we observe phonon anomalies around 10 to 20 GPa, which indicate possible pressure-induced charge redistribution in BiO layers. These newly detected anomalies may be related to the changes in the electronic structure which compete with the superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetic order in the van der Waals antiferromagnet CrPS 4 : Anisotropic H – T phase diagrams and effects of pressure

Here, single crystalline samples of the van der Waals antiferromagnet CrPS 4 were studied by measurements of specific heat and comprehensive anisotropic temperature- and magnetic-field-dependent magnetization. In addition, measurements of the heat capacity and magnetization were performed under pressures of up to ~ 21 and ~ 14 kbar, respectively. At ambient pressure, two magnetic transitions are observed: second order from a paramagnetic to an antiferromagnetic state at T N ~ 37 K, and a first-order spin reorientation transition at T * ~ 34 K. Anisotropic H – T phase diagrams were constructed using the M ( T , H ) data. As pressure is increased, T N is weakly suppressed with d T N / d P ≈ – 0.1 K/kbar. T * , on the other hand, is suppressed quite rapidly, with d T * / d P ≈ – 2 K/kbar, extrapolating to a possible quantum phase transition at P c ~ 15 kbar.

2-dimensional systems↗
DOE OSTI2020

Interactive effects of elevated CO 2 , warming, reduced rainfall, and nitrogen on leaf gas exchange in five perennial grassland species

Abstract Global changes can interact to affect photosynthesis and thus ecosystem carbon capture, yet few multi‐factor field studies exist to examine such interactions. Here, we evaluate leaf gas exchange responses of five perennial grassland species from four functional groups to individual and interactive global changes in an open‐air experiment in Minnesota, USA, including elevated CO 2 (eCO 2 ), warming, reduced rainfall and increased soil nitrogen supply. All four factors influenced leaf net photosynthesis and/or stomatal conductance, but almost all effects were context‐dependent, i.e. they differed among species, varied with levels of other treatments and/or depended on environmental conditions. Firstly, the response of photosynthesis to eCO 2 depended on species and nitrogen, became more positive as vapour pressure deficit increased and, for a C 4 grass and a legume, was more positive under reduced rainfall. Secondly, reduced rainfall increased photosynthesis in three functionally distinct species, potentially via acclimation to low soil moisture. Thirdly, warming had positive, neutral or negative effects on photosynthesis depending on species and rainfall. Overall, our results show that interactions among global changes and environmental conditions may complicate predictions based on simple theoretical expectations of main effects, and that the factors and interactions influencing photosynthesis vary among herbaceous species.

Pastore, Melissa A.↗
DOE OSTI2021

The Influence of Pressure on Flame-Flow Characteristics of a Reacting Jet in Crossflow

This work experimentally investigates the effects of elevated combustor pressures on the characteristics of a lean premixed reacting methane/air jet injected into a lean vitiated crossflow using a 12.7 mm axial jet. Experiments were conducted in an axially staged combustor, which implements a reacting jet in crossflow (RJIC) configuration and operates over a pressure range of 1–5 atmospheres. Simultaneous CH* chemiluminescence and particle image velocimetry (PIV) are used to study the flow field and flame behavior. The results show that the reacting jet trajectory exhibits greater penetration with elevated pressure, which is a novel finding compared to available data in the literature. However, the flame liftoff point and ignition delay time both decreased with elevated pressure, which was attributed to decreased vorticity along the flame boundary which corresponds to increased Damköhler numbers (Da). Emissions measurements confirm the NOx increase with pressure as reported in the literature for single-stage gas turbine combustors. Concurrently, emission measurements for the staged configuration show the strong NOx benefit of the RJIC system: the data prove a reduction of global outlet emission levels at elevated pressure with the axially staged configuration. Here, the axial emission reduction was attributed to the decreasing liftoff at elevated pressure levels. Hence, the research emphasizes that the flame and emission characteristics are coupled; they are not only dependent on the geometric parameters and momentum flux ratios but are also a function of pressure.

03 NATURAL GAS↗
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 OSTI2025

An Assessment of the Error Due to Computing Waste Isolation Pilot Plant Porosity Using the Porosity Response Surface Approach

The Waste Isolation Pilot Plant Performance Assessment (WIPP PA) must predict the likelihood that radionuclides will escape into the biosphere via mechanisms that depend on geohydraulic flow. Ideally, one would predict the geohydraulic flow using coupled geohydraulic and geomechanical simulations, but such coupled simulations are not computationally tractable. Instead, Sandia has historically used a look-up table of porosities for a given fluid pressure and time, called the porosity response surface, but this approach can introduce porosity errors because it largely ignores the porosity’s dependence on the past fluid pressure history. This report discusses efforts to quantify these porosity errors for both the legacy and new porosity response surfaces. Six hundred different fluid pressure histories were fed through the legacy/new geomechanical model and the legacy/new porosity response surface to generate six hundred porosity error histories. The error associated with the legacy porosity surface was substantial, while the error associated with the new porosity surface was typically small, except when fluid pressures exceeded the lithostatic pressure at the repository. In response to the errors at high pressures, a preliminary study of the WIPP PA’s sensitivity to these porosity errors was conducted. The study found that reducing the porosity errors at high pressures negligibly affected predictions of radionuclide releases. Finally, an initial machine-learned model for porosity was developed. This ML model significantly reduced the porosity error at high pressures, but sizable errors remained, so more development is necessary before coupling an ML model to the geohydraulic model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Quantitative kinetic rules for plastic strain-induced α - ω phase transformation in Zr under high pressure

Plastic strain-induced phase transformations (PTs) and chemical reactions under high pressure are broadly spread in modern technologies, friction and wear, geophysics, and astrogeology. However, because of very heterogeneous fields of plastic strain $E$ p and stress σ tensors and volume fraction c of phases in a sample compressed in a diamond anvil cell (DAC) and impossibility of measurements of σ and $E$ p , there are no strict kinetic equations for them. Here, we develop a kinetic model, finite element method (FEM) approach, and combined FEM-experimental approaches to determine all fields in strongly plastically predeformed Zr compressed in DAC, and specific kinetic equation for α-ω PT consistent with experimental data for the entire sample. Since all fields in the sample are very heterogeneous, data are obtained for numerous complex 7D paths in the space of 3 components of the plastic strain tensor and 4 components of the stress tensor. Kinetic equation depends on accumulated plastic strain (instead of time) and pressure and is independent of plastic strain and deviatoric stress tensors, i.e., it can be applied for various above processes. Our results initiate kinetic studies of strain-induced PTs and provide efforts toward more comprehensive understanding of material behavior in extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

FAST-1.0 Software Acceptance Testing Report

The purpose of this document is to detail the software testing of FAST-1.0 through unit, integration, and assessment tests. More than 400 tests were designed to provide coverage of the requirements for FAST-1.0. These requirements were developed in the NRC Statement of Work (SOW) for NRC Agreement Number NRC-HQ-25-14-D-001 and are transcribed to this document as part of the Software Quality Assurance Plan for the FAST Code System, PNNL-28767. FAST 1.0 represents the merger of the FRAPCON and FRAPTRAN codes and as such FAST-1.0 performs steady state and transient fuel performance calculations described below. FAST-1.0 calculates the steady state response of light-water reactor fuel rods during long-term burnup. The code calculates temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: 1) heat conduction through fuel and cladding to the coolant; 2) cladding elastic and plastic deformation; 3) fuel-cladding mechanical interaction; 4) fission gas release from the fuel and rod internal pressure; and 5) cladding oxidation. FAST is used to perform independent calculations for regulatory evaluations of fuel performance under normal operation and anticipated operational occurrences (AOOs). FAST calculates the temperature and deformation history of a fuel rod as a function of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by FAST include: 1) heat conduction; 2) heat transfer from cladding to coolant; 3) elastic-plastic fuel and cladding deformation; 4) cladding oxidation; 5) fission gas release; and 6) fuel rod gas pressure. FAST code assessment, development and maintenance drive a significant portion of the NRC fuel research activities and the tools are used in a substantial number of regulatory products. Given the centrality of the FAST code to the effectiveness of fuel research, it is critical to assess, develop and maintain this tool.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Simulation of dilatancy-controlled gas migration processes in saturated bentonite using a coupled multiphase flow and elastoplastic H 2 M model

Dilatancy-controlled gas flow in preferential pathways plays a key role in the safety analysis of radioactive waste repositories. This is particularly the case for bentonite, an often-preferred barrier material. Gas flow in preferential pathways is characterized by localization and spontaneous behavior, which is challenging to simulate in numerical models due to strong hydro-mechanical coupling. To analyze a laboratory experiment in the framework of the DECOVALEX-2023 project, this study introduced a new approach of combining continuous modelling methods with spatial material properties derived from material heterogeneities and experimental observations. The proposed model utilized hydro-mechanical spatial distributions, namely Young's modulus and gas entry pressure, and elastoplasticity combined with a linear swelling model. A conceptual strain-dependent permeability approach simulated dilatancy-controlled gas flow based on hydro-mechanical coupling. To test the effectiveness of the presented approach, a gas injection test in a compacted, saturated bentonite sample was simulated using the open-source code OpenGeoSys 5.8 and compared with experimental observations. The presented methodology is capable of simulating localized gas flow in preferential pathways. The spatial distributions of Young's modulus and gas entry pressure affect the swelling pressure, relative permeability and, in combination with the strain-dependent permeability model, also the intrinsic permeability.

42 ENGINEERING↗
DOE OSTI2025

Planar Defect Layers Template a High-Pressure InBi Polymorph

The short- and long-range order of III–V materials under high pressure has long been the subject of debate, with advancements in structural characterization leading to significant revisions to the accepted structural models. Despite these revisions, previous high-pressure structural assignments in the In–Bi system include the site-disordered β-Sn structure type, a structure type demonstrated to be nonexistent in analogous III–V systems. While X-ray diffraction is consistent with site disordering in InBi at high pressure, cluster expansion calculations indicate that disordering requires temperatures above 3000 K. Here, we propose InBi as a model material for studying unique high-pressure planar defects due to its highly anisotropic stress-dependent properties and structure. Specifically, we identify two sets of planar defects that mimic the diffraction pattern of a site disordered β-Sn structure type and are compatible with the calculated disorder barrier. We derive these defects by symmetry relations over crystallographic transitions. Density functional theory calculations of the proposed defects suggest that these defects are stabilized by diminishing interlayer separations with pressure. Further, we find that one of the proposed defects closely resembles a bulk high-pressure phase of InBi, InBi-ϵ, and we assert that the proposed defects order upon heating, acting as a template for InBi-ϵ growth. The proposed defects and their electronic structure provide a basis for the trend of superconducting critical temperature with increasing pressure. These methods for identifying defects are generalizable to other materials with reports of site disorder at high pressure, prompting a broader search for related high-pressure defects.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Evaluating Production Implications of Pressure Maintenance in Unconventional Oil and Gas Wells using a Machine Learning Modeling Approach: Case Study in the Permian Basin

This study implements the proprietary machine learning-based model (model) developed under the 2022 study titled “Evaluating the Impact of Proprietary Oil & Gas Data on Machine Learning Model Performance Using a Quasi-Experimental Analytical Approach” for forecasting unconventional oil and gas production using well data from the Permian Basin. The model, developed using an exclusive dataset that includes time series production data from an operator in the Permian Basin, is designed to jointly predict daily oil, gas, and water production for horizontal wells as a function of bottomhole pressure drawdown, spatial placement across the study domain, and well-completion attributes. In this study, the model was explicitly applied to explore its utility to evaluate the impact of varying drawdown strategies on the production forecast of a well in the Permian Basin dataset. Managing pressure drawdown has been identified as a way to improve estimated ultimate recovery (EUR) from unconventional shale wells due to the stress-dependent nature of fractures in shale reservoirs. Research has shown that applying a lower pressure drawdown helps to maintain the reservoir conductivity, resulting in higher productivity over the life of a well. Historic bottomhole pressure data from the well over time was used as a benchmark from which to set more and less aggressive pressure decline rates as bounding modeling cases. All pressure decline rates/strategies were forecasted over 5 years, and the model was used to generate oil, water, and gas prediction over the same timeframe. This report presents the results from the production forecast and discusses potential operational and economic implications, with contrasting perspectives between well productivity and profitability given typical oil and gas economics and the volatility in the oil and gas market.

02 PETROLEUM↗
DOE OSTI2025

Understanding Oxide–Metal Interactions During Hot Isostatic Pressing to Diffusion Bond Aluminum Alloy 6061 Plates

The interaction between Mg, Si, and Al 2 O 3 during hot isostatic pressing diffusion bonding of aluminum alloy 6061 (AA6061) plates was investigated through thermodynamic calculations and experimental microstructural characterization. Thermodynamic calculations as functions of temperature, pressure, and composition revealed that the interaction among Mg, Si, and Al 2 O 3 yields Mg 2 Si and either MgO + Al or MgAl 2 O 4 + Al, facilitating the reduction of Al 2 O 3 and allowing Al/Al metallic bonds to form. Total pressure variation had a negligible influence on the oxygen partial pressure, and consequently, the reaction product formation. Oxygen partial pressure variation as a function of temperature and initial amount of Al 2 O 3 determined the formation of either MgO or MgAl 2 O 4 . Experimental Hot Isostatic Pressure (HIP) bonding at 723 K and 833 K under a constant pressure of 1017 atm documented the cooling rate-dependent formation of β–Mg 2 Si precipitates. High-resolution transmission electron microscopy imaging and selected area electron diffraction patterns verified the formation of β–Mg 2 Si and MgO at the interface but did not detect MgAl 2 O 4 . In conclusion, findings from this study clarify the role of thermochemical interactions in oxide disruption and bonding mechanisms during HIP diffusion bonding of AA6061 and provide guidance for optimizing joining processes for monolithic nuclear fuel assemblies.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Poromechanical cohesive interface element with combined Mode I-II cohesive zone elastoplasticity for simulating fracture in fluid-saturated porous media

A combined Mode I-II cohesive zone (CZ) elasto-plastic constitutive model, and a two-dimensional (2D) cohesive interface element (CIE) are formulated and implemented at small strain within an ABAQUS User Element (UEL) for simulating 2D crack nucleation and propagation in fluid-saturated porous media. Here, the CZ model mitigates problems of convergence for the global Newton-Raphson solver within ABAQUS, which when combined with a viscous stabilization procedure allows for simulation of post-peak response under load control for coupled poromechanical finite element analysis, such as concrete gravity dam stability analysis. Verification examples are presented, along with a more complex ambient limestone-concrete wedge fracture experiment, water-pressurized concrete wedge experiment, and concrete gravity dam stability analyses. A calibration procedure for estimating the CZ parameters is demonstrated with the limestone-concrete wedge fracture process. For the water-pressurized concrete wedge fracture experiment it is shown that the inherent time-dependence of the poromechanical CIE analysis provides a good match with experimental force versus displacement results at various crack mouth opening rates, yet misses the pore water pressure evolution ahead of the crack tip propagation. This is likely a result of the concrete being partially-saturated in the experiment, whereas the finite element analysis assumes fully water saturated concrete. For the concrete gravity dam analysis, it is shown that base crack opening and associated water uplift pressure leads to a reduced Factor of Safety, which is confirmed by separate analytical calculations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Pressure-induced phase transitions in Ni-bearing ferrosilite (Ni-En31Fs65)

Abstract Orthopyroxene is an abundant mineral in subducting slabs. Studying its phase transitions at high pressure is important to the understanding of mineralogy of subducting slabs in the deep Earth. Synchrotron-based single-crystal X-ray diffraction experiments were conducted on a synthetic Ni-bearing ferrosilite (Ni-En31Fs65) at pressures up to 33.8 GPa. Three phase transitions were observed at 12.1(6), 15.6(6), and 31.3(25) GPa. The first two phase transitions in Ni-En31Fs65 resemble the previously described phase transitions in Ni-free Fe-rich orthopyroxenes, i.e., the initial α-opx (Pbca) transforms to β-opx (P21/c), then the latter transforms to γ-opx (Pbca). This indicates that the incorporation of a few mol% NiSiO3 does not influence the phase transition path of Fe-rich orthopyroxene. After the third phase transition, the structure (P21ca) of Ni-En31Fs65 resembles the previously reported β-popx observed in En90 at high pressure, although the onset pressure of the phase transition in Ni-En31Fs65 is ~7 GPa lower than that in En90. β-popx has a post-pyroxene structure that contains fivefold- and sixfold-coordinated Si cations. Our results indicate that the post-pyroxene structure is β-popx (P21ca) for either Fe-poor or Fe-rich orthopyroxenes, although the phase transition path before the pyroxene → post-pyroxene is compositionally dependent. Additionally, unlike the second and third transitions, whose onset pressures are monotonously decreased by increasing Fe content, the Fe effect on shifting the first transition is much more significant for orthopyroxenes within En <50 mol% than that within En >50 mol%.

Geochemistry & Geophysics↗
DOE OSTI2025

An upper pressure limit for low- Z benign termination of runaway electron beams in TCV

Abstract We present a model for the particle balance in the post-disruption runaway electron plateau phase of a tokamak discharge. The model is constructed with the help of, and applied to, experimental data from TCV discharges investigating the so-called ‘low- Z benign termination’ runaway electron mitigation scheme. In the benign termination scheme, the free electron density is first reduced in order for a subsequently induced MHD instability to grow rapidly and spread the runaway electrons widely across the wall. We show that the observed non-monotonic dependence of the free electron density with the measured neutral pressure is due to plasma re-ionization induced by runaway electron impact ionization. At higher neutral pressures, more target particles are present in the plasma for runaway electrons to collide with and ionize. Parameter scans are conducted to clarify the role of the runaway electron density and energy on the free electron density, and it is found that only the runaway electron density has a noticeable impact. While the free electron density is shown to be related to the spread of heat fluxes at termination, the exact cause for the upper neutral pressure limit remains undetermined and an object for further study.

Hoppe, M. (ORCID:0000000339948977)↗
DOE OSTI2020

Phonon thermodynamics and elastic behavior of GaAs at high temperatures and pressures

The phonons of wurtzite and zinc blende GaAs were calculated at simultaneously elevated temperature and pressure, and elastic constants were calculated as functions of pressure. Pressure caused instabilities of shorter-wavelength transverse acoustic modes in both wurtzite and zinc blende GaAs, causing them to fall to zero at 18 and 20GPa, respectively. Here, the Born stability criteria, which depend on elastic constants and only long wavelength phonons, therefore overestimated the pressure needed to induce instability at 0 K. At elevated temperatures, explicit anharmonicity pushes the onset of instability to higher pressures in both wurtzite and zincblende GaAs. Phonon linewidth and densities of states data showed that the quasiharmonic approximation failed to account for temperature-induced phonon frequency shifts, and the quasiharmonic approximation became less reliable at elevated pressure. In general, the number of three-phonon processes increased with pressure, thereby increasing the temperature-driven broadening of phonon spectral lineshapes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

High-energy ballistic electrons in low-pressure radio-frequency plasmas

This study demonstrates the presence of a small number of high-energy ballistic electrons (HEBEs) that originate from secondary electrons in low-pressure radio-frequency (rf) plasmas. The kinetic behaviors of the HEBEs are illustrated through electron energy probability functions from the fully kinetic particle-in-cell simulations, showing two wavy high-energy tails and two bifurcations during one rf cycle. Test-particle simulations and a semi-analytical method associated with nonlocal electron kinetics are performed to characterize the HEBE trajectories, which reveal the ballistic nature of the HEBEs and their typical bouncing features between the rf sheaths. Parameter dependence of the HEBEs on the discharge conditions (e.g., gas pressure, gap distance, and rf frequency) are identified, which is relevant to the plasma collisionality. With a pronounced presence of HEBEs, the overall impacts of the secondary electron emission on discharge parameters, such as electron power absorption and ionization rate, are also illustrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗