Search NASA⌕ Search

SEARCH · Search NASA

Results for “Range expansion”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

First-principles and cluster expansion study of the effect of magnetism on short-range order in Fe–Ni–Cr austenitic stainless steels

Short-range order (SRO), the regular and predictable arrangement of atoms over short distances, alters the mechanical properties of technologically relevant structural materials such as medium/high entropy alloys and austenitic stainless steels. In this study, we present a generalized spin cluster expansion (CE) model and show that magnetism is a primary factor influencing the level of SRO present in austenitic Fe-Ni-Cr alloys. The spin CE consists of a chemical cluster expansion combined with an Ising model for Fe-Ni-Cr austenitic alloys. It explicitly accounts for local magnetic exchange interactions, thereby capturing the effects of finite temperature magnetism on SRO. Model parameters are obtained by fitting to a first-principles data set comprising both chemically and magnetically diverse FCC configurations. The magnitude of the magnetic exchange interactions are found to be comparable to the chemical interactions. Compared to a conventional implicit magnetism CE built from only magnetic ground state configurations, the spin CE shows improved performance on several experimental benchmarks over a broad spectrum of compositions, particularly at higher temperatures due to the explicit treatment of magnetic disorder. We find that SRO is strongly influenced by alloy Cr content, since Cr atoms prefer to align antiferromagnetically with nearest neighbors but become magnetically frustrated with increasing Cr concentration. Using the spin CE, we predict that increasing the Cr concentration in typical austenitic stainless steels promotes the formation of SRO and increases order-disorder transition temperatures. Furthermore, this study underscores the significance of considering magnetic interactions explicitly when exploring the thermodynamic properties of complex transition metal alloys. It also highlights guidelines for customizing SRO through adjustments of alloy composition.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Climate-driven deoxygenation elevates fishing vulnerability for the ocean's widest ranging shark

Climate-driven expansions of ocean hypoxic zones are predicted to concentrate pelagic fish in oxygenated surface layers, but how expanding hypoxia and fisheries will interact to affect threatened pelagic sharks remains unknown. Here, analysis of satellite-tracked blue sharks and environmental modelling in the eastern tropical Atlantic oxygen minimum zone (OMZ) shows shark maximum dive depths decreased due to combined effects of decreasing dissolved oxygen (DO) at depth, high sea surface temperatures, and increased surface-layer net primary production. Multiple factors associated with climate-driven deoxygenation contributed to blue shark vertical habitat compression, potentially increasing their vulnerability to surface fisheries. Greater intensity of longline fishing effort occurred above the OMZ compared to adjacent waters. Higher shark catches were associated with strong DO gradients, suggesting potential aggregation along suitable DO gradients contributed to habitat compression and higher fishing-induced mortality. Fisheries controls to counteract deoxygenation effects on shark catches will be needed as oceans continue warming.

Vedor, Marisa↗
DOE OSTI2020

Negative thermal expansion and the role of hybridization in perovskite-type PbTiO 3 -Bi(Cu 0.5 Ti 0.5) O 3

PbTiO 3 -BiMeO 3 ferroelectrics have attracted much attention due to not only their extremely large polarization and piezoelectricity but also their controllable thermal expansion. In this study, we present a new binary system of (1 - x)PbTiO 3 -xBi(Cu 0.5 Ti 0.5 )O 3 possessing large tetragonality and enhanced spontaneous polarization. Interestingly, a combination of near zero thermal expansion and negative thermal expansion over a temperature range of RT to T C (~550 °C) has been observed in tetragonal 0.85PbTiO 3 -0.15Bi(Cu 0.5 Ti 0.5 )O 3 . The comprehensive structure analysis addressed that the abnormal thermal expansion is coupled to the spontaneous volume ferroelectrostriction. Moreover, the chemical bonding investigation by a maximum entropy method further attests that the covalent hybridization of Pb/Bi–O bonds plays a vital role in the improved ferroelectricity and interacts with thermal vibration to dominate the crossover from positive to negative thermal expansion. fINALLY, The present studies would give direct evidence to verify the theoretical calculations and could be extended to reveal the nature of thermal expansion in ferroelectrics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Controlled thermal coefficient product system and method

A controlled thermal coefficient product manufacturing system and method is disclosed. The disclosed product relates to the manufacture of metallic material product (MMP) having a thermal expansion coefficient (TEC) in a predetermined range. The disclosed system and method provides for a first material deformation (FMD) of the MMP that comprises at least some of a first material phase (FMP) wherein the FMP comprises martensite randomly oriented and a first thermal expansion coefficient (FTC). In response to the FMD at least some of the FMP is oriented in at least one predetermined orientation. Subsequent to deformation, the MMP comprises a second thermal expansion coefficient (STC) that is within a predetermined range and wherein the thermal expansion of the MMP is in at least one predetermined direction. The MMP may be comprised of a second material phase (SMP) that may or may not transform to the FMP in response to the FMD.

Monroe, James Alan↗
DOE OSTI2023

Controlled thermal coefficient product system and method

A controlled thermal coefficient product manufacturing system and method is disclosed. The disclosed product relates to the manufacture of metallic material product (MMP) having a thermal expansion coefficient (TEC) in a predetermined range. The disclosed system and method provides for a first material deformation (FMD) of the MMP that comprises at least some of a first material phase (FMP) wherein the FMP comprises martensite randomly oriented and a first thermal expansion coefficient (FTC). In response to the FMD at least some of the FMP is oriented in at least one predetermined orientation. Subsequent to deformation, the MMP comprises a second thermal expansion coefficient (STC) that is within a predetermined range and wherein the thermal expansion of the MMP is in at least one predetermined direction. The MMP may be comprised of a second material phase (SMP) that may or may not transform to the FMP in response to the FMD.

Monroe, James Alan↗
DOE OSTI2023

Nuclear structure and elastic scattering observables obtained consistently with different N N interactions

Nucleon-nucleon ($NN$) interactions based on chiral effective theories are commonly used in ab initio calculations of light nuclei. Here we present a study based on three different $NN$ interactions (up to next-to-next-to-leading order) for which structure and elastic proton scattering observables are consistently calculated for $^4$He, $^{12}$C, and $^{16}$O. The interactions are compared at the two-body level in terms of Wolfenstein amplitudes, and their predictions for ground state energies, point-proton radii, and charge form factors, as well as proton elastic scattering observables in the leading-order spectator expansion in the energy range between 65 and 160 MeV projectile energy are presented. Finally, to gain further insight into differences visible in elastic scattering observables, we investigate the behavior of the calculated effective nucleon-nucleus interactions for the $^{12}$C nucleus based on the different $NN$ interactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Development and Commercialization of an IDAES-Based Power Plant Performance Monitoring and Optimization System

DOE and NETL have created an advanced, open-source computational platform through the Institute for the Design of Advanced Energy Systems (IDAES). The IDAES platform is a very extensive modeling environment that can be used for a broad range of power plant and process applications. MapEx Software is developing and commercializing a software application that makes it easier to set-up and run IDAES-based analyses. The MapEx-developed software application will replace the need for custom Python language coding with a user-friendly graphical user interface where the user can construct a flowsheet diagram of the IDAES model by inserting icons representing the plant equipment onto the screen. This application will make the implementation of modeling and optimization of existing fossil-fired power plants more straight-forward and less time-consuming. The effort focuses on performance monitoring and optimization of plant operations for the existing coal-fired power plant fleet but is built on a structure that allows expansion into the broad range of applications where IDAES methods may be applied.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Competition of magnetocrystalline anisotropy of uranium layers and zigzag chains in UNi 0.34 Ge 2 single crystals

Structural and thermodynamic properties of single-crystalline UNi 1-x Ge 2 with x = 0.66 have been investigated by measuring magnetization, specific heat, and thermal expansion over a wide range of temperatures and magnetic fields. The measurements revealed the emergence of a long-range antiferromagnetic ordering of uranium magnetic moments below the Néel temperature T N = 45.5 (1) K and the existence of two easy axes in the studied compound, namely b and c, which correspond to the planes of the uranium zig-zag chains. A magnetic field applied along these two crystallographic directions induces in the system a first-order metamagnetic phase transition (from antiferromagnetic to field-polarized paramagnetism), and the width of the magnetic hysteresis associated with that transition reaches as much as 40 kOe at the lowest temperatures. A magnetic phase diagram developed from the experimental data showed that the metastable region associated with that magnetic hysteresis forms a funnel that narrows toward the N´eel point in a zero magnetic field. The four-layer Ising model has successfully predicted the colinear antiferromagnetic structure in UNi 0.34 Ge 2 (known from earlier reports), its magnetic phase diagram, and temperature and field variations of its magnetization. Moreover, it suggests that the first-order phase transition extends down to zero magnetic field, although it is barely detectable in the experiments performed in low magnetic fields. According to this model, the second-order phase transition occurs in the compound only in zero field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Examination of Radiation Belt Dynamics During Substorm Clusters: Activity Drivers and Dependencies of Trapped Flux Enhancements

Here, dynamical variations of radiation belt trapped electron fluxes are examined to better understand the variability of enhancements linked to substorm clusters. Analysis is undertaken using the Substorm Onsets and Phases from Indices of the Electrojet substorm cluster algorithm for event detection. Observations from low earth orbit are complemented by additional measurements from medium earth orbit to allow a major expansion in the energy range considered, from medium energy energetic electrons up to ultra-relativistic electrons. The number of substorms identified inside a cluster does not depend strongly on solar wind drivers or geomagnetic indices either before, during, or after the cluster start time. Clusters of substorms linked to moderate (100 nT < AE ≤ 300 nT) or strong AE (AE ≥ 300 nT) disturbances are associated with radiation belt flux enhancements, including up to ultra-relativistic energies by the strongest substorms (as measured by strong southward Bz and high AE). These clusters reliably occur during times of high speed solar winds streams with associated increased magnetospheric convection. However, substorm clusters associated with quiet AE disturbances (AE ≤ 100 nT) lead to no significant chorus whistler mode intensity enhancements, or increases in energetic, relativistic, or ultra-relativistic electron flux in the outer radiation belts. In these cases the solar wind speed is low, and the geomagnetic Kp index indicates a lack of magnetospheric convection. Our study clearly indicates that clusters of substorms occurring outside of high speed wind streams are not by themselves sufficient to drive acceleration, which may be due to the lack of pre-cluster convection.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Chemical order-disorder nanodomains in Fe 3 Pt bulk alloy

Chemical ordering is a common phenomenon and highly correlated with the properties of solid materials. By means of the redistribution of atoms and chemical bonds, it invokes an effective lattice adjustment and tailors corresponding physical properties. To date, however, directly probing the 3D interfacial interactions of chemical ordering remains a big challenge. In this work, we deciphered the interlaced distribution of nanosized domains with chemical order/disorder in Fe 3 Pt bulk alloy. HAADF-STEM images evidence the existence of such nanodomains. The reverse Monte Carlo method with the X-ray pair distribution function data reveal the 3D distribution of local structures and the tensile effect in the disordered domains at the single-atomic level. The chemical bonding around the domain boundary changes the bonding feature in the disordered side and reduces the local magnetic moment of Fe atoms. This results in a suppressed negative thermal expansion and extended temperature range in Fe 3 Pt bulk alloy with nanodomains. Our study demonstrates a local revelation for the chemical order/disorder nanodomains in bulk alloy. The understanding gained from atomic short-range interactions within the domain boundaries provides useful insights with regard to designing new functional compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ground Vibrational State SiO Emission in the VLA BAaDE Survey

Using a subsample of the Bulge Asymmetries and Dynamical Evolution (BAaDE) survey of stellar SiO masers, we explore the prevalence and characteristics of {sup 28}SiO J = 1 − 0, v = 0 emission. We identify 90 detections of maser, thermal, or composite {sup 28}SiO J = 1 − 0, v = 0 emission out of approximately 13,000 candidate spectra from the National Science Foundation’s Karl G. Jansky Very Large Array (VLA). We find that the detected sources are likely asymptotic giant branch stars belonging to a bright, foreground Milky Way stellar disk population. For the 32 sources showing thermal components, we extract values for outflow velocity by fitting thermal line profiles. We find a range of circumstellar envelope expansion velocities, and compare to previously recorded OH and CO expansion velocities. This preliminary survey is already the largest study of stellar ground vibrational state SiO masers to date, and will be expanded to include the entire VLA BAaDE data set when data reduction for the 18,988 target sources is completed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Post-detonation fireball modeling: Validation of freeze out approximations

A numerical simulation study was performed to examine the post-detonation reaction processes produced by the detonation of a 12 mm diameter hemispherical pentaerythritol tetranitrate (PETN) explosive charge. The simulations used a finite rate detailed chemical reaction model consisting of 59 species and 368 reactions to capture post-detonation reaction processes including air dissociation from Mach 19+ shock waves that initially break out of the PETN charge, reactions within the detonation products during expansion, and afterburning when the detonation products mix with the shock heated air. The multi-species and thermodynamically complete Becker-Kistiakowsky-Wilson real-gas equation of state is used for the gaseous phase to allow for the mixing of reactive species. A recent simplified reactive burn model is used to propagate the detonation through the charge and allow for detailed post-detonation reaction processes. The computed blast, shock structures, and mole fractions of species within the detonation products agree well with experimental measurements. A comparison of the simulation results to equilibrium calculations indicates that the assumption of a local equilibrium is fairly accurate until the detonation products rapidly cool to temperatures in the range of 1500-1900 K by expansion waves. Below this range, the computed results show mole fractions that are nearly chemically frozen within the detonation products for a significant portion of expansion. In conclusion, these results are consistent with the freeze out approximation used in the blast modeling community.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Thermodynamic assessment of the quaternary WTaCrV refractory high entropy alloy as a means to guide experimental approaches

The deployment of fusion energy poses challenges for materials in plasma facing components to withstand high temperatures and thermal gradients, particle implantation and neutron damage. The current material of choice is tungsten, although property degradation limits its consideration in future fusion reactors. Hence, materials with better resistance to harsh environments need to be developed for fusion energy to become a reality. High entropy alloys are being explored as potential candidates with some compositions showing good radiation resistance to defect cluster formation. One of these materials is the WTaCrV system, although only one composition has been tested under ion irradiation. In this work, we study the thermodynamic properties of the entire quaternary alloy composition range. Coupling first principles calculations, cluster expansion approaches, and Monte Carlo methods, we access the free energy functionals, short-range ordering as a function of temperature, and atomic configurations that can be compared to experimental observations. We use this data to inform experiments into compositions with higher propensity to form solid solutions, instead of phase separating. With this formalism we have developed thermodynamic database (TDB) files that can be used to plot quaternary phase diagrams.

Cluster Expansion↗
DOE OSTI2023

AmeriFlux FLUXNET-1F US-xJR NEON Jornada LTER (JORN)

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-xJR NEON Jornada LTER (JORN). This is the FLUXNET version of the carbon flux data for the site US-xJR NEON Jornada LTER (JORN) produced by applying the standard ONEFlux (1F) software. Site Description - Land use at Jornada has contrasting livestock grazing histories (including ungrazed lands), dating back to 1902, which are representative of the pervasive land use in desert-southwest wildlands. Historical accounts of the region report significant changes in vegetation starting in the late 1800s coincident with the expansion of livestock grazing. By 1912, sufficiently dramatic changes lead area scientists and private landowners to convince the U.S. government to set aside Public Domain Lands for the Jornada Range Reserve for the purpose of scientific investigation on shrub invasion and subsequent loss of forage grasses. Much of this early research focused on quantifying utilization levels for forage species, developing livestock production strategies to deal with drought, and developing methods for shrub control and grass recovery. Exclosures were constructed and long-term plots were established throughout the range to monitor the continued expansion of shrubs across the landscape. Over the decades, numerous trials of various remediation approaches were implemented, from manual and mechanical shrub removal to herbicide application to construction of terraces or other means of redirecting surface flow of runoff.

Network), NEON (National Ecological Observatory↗
DOE OSTI2023

Determination of single crystal thermal expansion in Uranium-6wt%Niobium shape memory alloy using in-situ diffraction and modeling of textured polycrystalline samples

In-situ neutron diffraction and ex-situ dilatometry experiments were performed on a chemically banded, quenched uranium-6wt% niobium shape memory alloy to study the impact of deformation-(detwinning-) induced texture on the evolution of thermally induced strains (and associated stresses). Thermal heating and cooling cycles between 5K and 473K were performed in-situ with neutron diffraction, and the lattice strain evolution is reported for the observed monoclinic α" phase. Comparisons between the measured diffraction strains and macroscopic dilatometry experiments reveal relationships between micro- and macro-level thermal expansion. Softening of the texture during heating suggests that twin boundary motion can accommodate the large internal thermal strains which are approximately 2% greater than that typically observed during the 175K heating interval used to age more randomly oriented polycrystalline material. Assuming weak constraint of neighboring grains in randomly textured polycrystals, the single crystal thermal expansion tensor is extracted from measurements of lattice strains over the range 5K to 473K. Predictions of polycrystalline thermal expansion, based upon this single crystal thermal expansion tensor, are shown to compare favorably with bulk thermal expansion observations of the as quenched microstructure. However, such a lower-bound estimate is insufficient to explain all aspects of the behavior of the textured material, where the matrix is not isotropic. In conclusion, it is hypothesized that relaxation processes which occur within the quenched microstructure during heating are responsible for the distinct thermal expansion behavior observed during the initial heating cycle compared to cooling and subsequent cycling.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Significantly Promoting the Thermal Conductivity and Machinability of Negative Thermal Expansion Alloy via In Situ Precipitation of Copper Networks

Rapid advancements in electronic devices yield an urgent demand for high-performance electronic packaging materials with high thermal conductivity, low thermal expansion, and great mechanical properties. However, it is a great challenge for current design philosophies to fulfill all the requirements simultaneously. Here, an effective strategy is proposed for significantly promoting the thermal conductivity and machinability of negative thermal expansion alloy (Zr,Nb)Fe 2 through eutectic precipitation of copper networks. The eutectic dual-phase alloy exhibits an isotropic chips-matched thermal expansion coefficient and a thermal conductivity enhancement exceeding 200% compared with (Zr,Nb)Fe 2 , along with an ultimate compressive strength of 550 MPa. The addition of copper reorganizes the composition of (Zr,Nb)Fe 2 , which smooths the magnetic transition and shifts it toward higher temperature, resulting in linear low thermal expansion in a wide temperature range. The highly fine eutectic copper lamellae construct high thermal conductivity networks within (Zr,Nb)Fe 2 , serving as highways for heat transfer electrons and phonons. The in situ forming of eutectic copper lamellae also facilitates the mechanical properties by enhancing interfacial bonding and bearing additional stress after yielding of (Zr,Nb)Fe 2 . This work provides a novel strategy for promoting thermal conductivity and mechanical properties of negative thermal expansion alloys via eutectic precipitation of copper networks.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Short- vs . long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon( II ) spin crossover grid complex observed by time-resolved X-Ray crystallography

Spin crossover complexes (SCO) are among the most studied molecular switches due to their potential use in displays, sensors, actuators and memory components. A prerequisite to using these materials is the understanding of the structural changes following the spin transition at out-of-equilibrium conditions. So far, out-of-equilibrium studies in SCO solids have been focused on mononuclear complexes, though a growing number of oligonuclear SCO complexes showing cooperative effects are being reported. Here, we use time-resolved pink Laue crystallography to study the out-of-equilibrium dynamics of a [2 × 2] tetranuclear metallogrid of the form [Fe II 4 L Me 4 ](BF 4 ) 4 ·2MeCN ([L Me ] - = 4-methyl-3,5-bis{6-(2,2'-bipyridyl)}pyrazolate). The out-of-equilibrium spin state switching induced by a ps laser pulse demonstrates that the metallogrid exhibits a multi-step response similar to that reported for mononuclear complexes. Contrary to the mononuclear complexes, the metallogrid shows two types of elastic distortions at different time scales. The first is a short-range distortion that propagates over the entire Fe 4 grid complex during the ps time scale, and it is caused by the rearrangement of the coordination sphere of the photo-switching ion and the constant feedback between strongly linked metal ions. The second is a long-range distortion caused by the anisotropic expansion of the lattice during the ns time scale, observed in mononuclear materials. The structural analysis demonstrates that the long-range prevails over the short-range distortion, inducing the largest deformation of both the entire grid and the coordination sphere of each metal ion. The present study sheds light on the out-of -equilibrium dynamics of a non-cooperative oligonuclear complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗