Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “DENSITY OF STATES”

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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Lattice Dynamics of Sb 2 Se 3 from Inelastic Neutron and X-Ray Scattering

The lattice dynamics of orthorhombic Sb 2 Se 3 is studied by a combination of inelastic neutron and 121 Sb nuclear inelastic scattering giving access to the total and Sb partial density of phonon states (DPS). The Se partial DPS is determined from the difference between the total and Sb partial DPS. The total DPS is determined at 39, 150, and 300 K, and an analysis of the temperature-induced mode shifts in combination with low-temperature powder diffraction data is provided. Using an earlier reported theoretical approach, the corresponding total and partial DPS of Sb 2 Se 3 are calculated by first-principles calculations. Herein, a detailed analysis of the Grüneisen parameter, element-specific and bulk Debye temperatures, and the mean force constants as derived from the experimental data and discrete Fourier transform calculations is provided. In general, the calculations underestimate the strength of the covalent Sb-Se bonds.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1977

Digital high density (80 Mb/s) tape

Work with a state-of-the-art high density PCM tape recorder reproducer system is described. The tape recorder is designed for 80 Mb/s operation at an overall bit error rate of .00001and for 40 Mb/s operation at .000001. The article describes the process of measuring the error rate. Also detailed is a data rate buffer designed for use in recent radar experiments and generalizable to most potential uses of the recorder system.

Donner, M. D.↗
DOE OSTI2025

Disentangling core and edge mechanisms of the density limit in DIII-D negative triangularity plasmas

The density limit is investigated in the DIII-D negative triangularity plasmas which lack a standard H-mode edge. We find the limit may not be a singular disruptive boundary but a multifaceted density saturation phenomenon governed by distinct core and edge transport mechanisms. Sustained, non-disruptive operation is achieved at densities up to 1.8 times the Greenwald limit ($n_\mathrm{G}$) until the termination of auxiliary heating. Systematic power scans show distinct power scalings for the core ($n_e \propto P_\mathrm{SOL}^{0.27\pm0.03}$) and edge ($n_e \propto P_\mathrm{SOL}^{0.42\pm0.04}$) density limits. The edge density saturation is triggered by the onset of a non-disruptive, high-field side radiation front and the associated cooling, which clamps the edge density below . In contrast, the core density continues to rise until it saturates, a state characterized by enhanced core turbulence. Core transport evolves from a diffusive to an intermittent, avalanche-like state, as indicated by heavy-tailed probability density functions (kurtosis ≈ 6), increased Hurst exponents, and a $1/f$-type power spectrum. These findings suggest that the density limit in the low-confinement regime is determined by a combination of edge radiative cooling and core turbulent transport. This distinction provides separate targets for control strategies aimed at extending the operational space of future fusion devices.

density limit↗
DOE OSTI2024

Astrophysical Equation-of-State Constraints on the Color-Superconducting Gap

We demonstrate that astrophysical constraints on the dense-matter equation of state place an upper bound on the color-superconducting gap in dense matter above the transition from nuclear matter to quark matter. Pairing effects in the color-flavor locked quark matter phase increase the pressure at high density, and if this effect is sufficiently large then the requirements of causality and mechanical stability make it impossible to reach such a pressure in a way that is consistent with what is known at lower densities. The intermediate-density equation of state is inferred by considering extensions of chiral effective field theory to neutron star densities, and conditioning these using current astrophysical observations of neutron star radius, maximum mass, and tidal deformability (PSR J⁢0348+0432, PSR J1624-2230, PSR J⁢0740+6620, GW170817). At baryon number chemical potential μ = 2.6 GeV we find a 95% upper limit on the color-flavor locked pairing gap Δ of 457 MeV using overly conservative assumptions and 216 MeV with more reasonable assumptions. Furthermore, this constraint may be strengthened by future astrophysical measurements as well as by future advances in high-density QCD calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Interplay of the Spin Density Wave and a Possible Fulde-Ferrell-Larkin-Ovchinnikov State in CeCoIn 5 in Rotating Magnetic Field

The d-wave superconductor CeCoIn 5 has been proposed as a strong candidate for supporting the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state near the low-temperature boundary of its upper critical field. Neutron diffraction, however, finds spin-density-wave (SDW) order in this part of the phase diagram for field in the a-b plane, and evidence for the SDW disappears as the applied field is rotated toward the tetragonal c axis. It is important to understand the interplay between the SDW and a possible FFLO state in CeCoIn 5 , as the mere existence of an SDW does not necessarily exclude an FFLO state. In this work, based on a model constructed on the basis of available experiments, we show that an FFLO state competes with an SDW phase. The SDW state in CeCoIn 5 is stabilized when the field is directed close to the a-b plane. When the field is rotated toward the c axis, the FFLO state emerges, and the SDW phase disappears. In the FFLO state, the nodal planes with extra quasiparticles (where the superconducting order parameter is zero) are perpendicular to the field, and in the SDW phase, the quasiparticle density of states is reduced. We test this model prediction by measuring heat transported by normal quasiparticles in the superconducting state. As a function of field, we observe a reduction of thermal conductivity for field close to the a-b plane and an enhancement of thermal conductivity when field is close to the c axis, consistent with theoretical expectations. Our modeling and experiments, therefore, indicate the existence of the FFLO state when field is parallel to the c axis.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ultrafast x-ray pump x-ray probe transient absorption spectroscopy: A computational study and proposed experiment probing core-valence electronic correlations in solvated complexes

Femtosecond X-ray pump X-ray probe experiments are currently possible at free electron lasers such as the linac coherent light source (LCLS), which opens new opportunities for studying solvated transition metal-ligand complexes. In order to make the most effective use of these kinds of experiments, it is necessary to determine which chemical properties an X-ray pump pulse will measure. In this paper, we have combined electron cascade calculations and excited-state time-dependent density functional theory calculations to predict the initial state prepared by an X-ray pump and the subsequent X-ray probe spectra at the Fe K-edge in the solvated model transition metal complex, K 4 Fe II (CN) 6 . We find several key spectral features that report on the ligand-field splitting, solvent-solute interactions, and the 3p and 3d electron interactions. We then show how these features could be measured in an experiment.

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

Composite Cathode Architectures Made By Freeze-Casting for All Solid State Lithium Batteries (CRADA Final Report)

As part of a Battery 500 seedling project, MBRDNA partnered with LBNL and Montana State University (MSU) to develop solid-state batteries based on an Al-substituted LLZO (Li 7 La 3 Zr 2 O 12 ) ceramic ion-conductor. All solid-state lithium batteries are attractive contenders for use as power sources for electric vehicles because of their potential for better safety and higher energy density than state-of-the-art lithium-ion batteries, although they are still at early stages of development. Al-substituted LLZO is one of the most promising solid electrolytes for battery applications based on high ionic conductivity, a wide operating voltage window, and apparent stability vs. reduction by lithium. However, difficulties with processing thin (< 20 $\textit{um}$ and dense LLZO membranes have hampered development of devices based on this material. It is non-compressible and must be sintered at high temperatures to densify components. It is also difficult to maintain contact between the active cathode material and LLZO in the composite cathodes, which is critical for successful operation. This research project aimed to use novel processing methods to overcome these issues. The end result was the first ever-reported truly all solid-state battery based on LLZO operating at room temperature without application of exogenous pressure. During the course of the project, we also identified a number of issues that need to be addressed to improve the technology readiness level of this battery.

25 ENERGY STORAGE↗
NASA NTRS2016

Observations and Simulations of the Na I D-1 Line profiles in an M-Class Solar Flare

We study the temporal evolution of the Na I D1 line profiles in the M3.9 flare SOL2014-06-11T21:03UT, using observations at high spectral resolution obtained with the Interferometric Bidimensional Spectrometer instrumentation the Dunn Solar Telescope combined with radiative hydrodynamic simulations. Our results show a significant increase in the intensities of the line core and wings during the flare. The analysis of the line profiles from the flare ribbons reveals that the Na I D1 line has a central reversal with excess emission in the blue wing (blue asymmetry).We combine RADYN and RH simulations to synthesize Na I D1 line profiles of the flaring atmosphere and find good agreement with the observations. Heating with a beam of electrons modifies the radiation field in the flaring atmosphere and excites electrons from the ground state 3s 2S to the first excited state 3p 2P, which in turn modifies the relative population of the two states. The change in temperature and the population density of the energy states make the sodium line profile revert from absorption into emission. Furthermore, the rapid changes in temperature break the pressure balance between the different layers of the lower atmosphere, generating upflow/downflow patterns. Analysis of the simulated spectra reveals that the asymmetries of the Na I D1 flare profile are produced by the velocity gradients in the lower solar atmosphere.

methods: numerical↗
DOE OSTI2022

Room-Temperature Pseudo-Solid-State Iron Fluoride Conversion Battery with High Ionic Conductivity

Li-metal batteries (LMBs) employing conversion cathode materials (e.g., FeF 3 ) are a promising way to prepare inexpensive, environmentally friendly batteries with high energy density. Pseudo-solid-state ionogel separators harness the energy density and safety advantages of solid-state LMBs, while alleviating key drawbacks (e.g., poor ionic conductivity and high interfacial resistance). In this work, a pseudo-solid-state conversion battery (Li-FeF 3 ) is presented that achieves stable, high rate (1.0 mA cm –2 ) cycling at room temperature. The batteries described herein contain gel-infiltrated FeF 3 cathodes prepared by exchanging the ionic liquid in a polymer ionogel with a localized high-concentration electrolyte (LHCE). The LHCE gel merges the benefits of a flexible separator (e.g., adaptation to conversion-related volume changes) with the excellent chemical stability and high ionic conductivity (~2 mS cm –1 at 25 °C) of an LHCE. The latter property is in contrast to previous solid-state iron fluoride batteries, where poor ionic conductivities necessitated elevated temperatures to realize practical power levels. Importantly, the stable, room-temperature Li-FeF 3 cycling performance obtained with the LHCE gel at high current densities paves the way for exploring a range of architectures including flexible, three-dimensional, and custom shape batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Anisotropic magnetotransport properties of the heavy-fermion superconductor CeRh 2 As 2

Here, we report anisotropic resistivity measurements of the heavy-fermion superconductor CeRh 2 As 2 in magnetic fields up to 16 T and temperatures down to 0.35 K. The measured CeRh 2 As 2 resistivity shows a signature corresponding to the suggested quadrupole-density-wave order state at T 0 ~0.5 K for both measured directions. For a magnetic field applied along the tetragonal a axis, T 0 is enhanced with magnetic field reaching ~1.75 K at 16 T. Further, a magnetic field-induced transition occurs at μ 0 H m ~ 8.1 T corresponding to a change to a new broken symmetry state. For a magnetic field applied along the c axis, T 0 is suppressed below our base temperature ~0.35 K by μ 0 H ~ 4.5 T, a field close to the previously reported field-induced transition within the superconducting state suggested to be from an even-parity to an odd-parity state. Our results indicate that the multiple superconducting phases in CeRh 2 As 2 are intimately tied to the suppression of the proposed quadrupole-density-wave phase at T 0 .

36 MATERIALS SCIENCE↗
DOE OSTI2023

TOUGH3/EOS7MG (EOS7MG) v1.1

EOS7MG is a new TOUGH3 module for modeling water, brine, and multiple gas mixtures in the subsurface multiphase flow system. The module allows mixture of as more as three gas components selecting from a list of predefined gases (CH4, C2H6, C3H8, H2S, CO2, N2, NO2, H2, and AIR). EOS7MG was developed based on EOS7C and inherited the general modeling capabilities of the TOUGH3 platform. It uses cubic equation of states for gas density, viscosity, and enthalpy calculation. The module provides the selection options for Peng-Robinson, Redlich-Kwong, or Soave-Redlich-Kwong equations of state. The subsurface flow and transport of gas and aqueous phase mixtures over a wide range of pressures and temperatures is modeled with a multiphase Darcy's Law and an accurate chemical equilibrium approach as originally implemented in EOS7C is used for calculation of the solubilities of different mass components. EOS7MG was designed to allow flexible number of components based on the number of gases included in the model. The potential application of this module may include subsurface gas storage, energy storage, CCS, enhanced gas recovery, and more.

Zhang, Keni↗
DOE OSTI2022

Detecting Symmetry Breaking in Magic Angle Graphene Using Scanning Tunneling Microscopy

A growing body of experimental work suggests that magic angle twisted bilayer graphene exhibits a "cascade" of spontaneous symmetry-breaking transitions, sparking interest in the potential relationship between symmetry breaking and superconductivity. However, it has proven difficult to find experimental probes which can unambiguously identify the nature of the symmetry breaking. Here, we show how atomically resolved scanning tunneling microscopy can be used as a fingerprint of symmetry-breaking order. Further, by analyzing the pattern of sublattice polarization and "Kekulé" distortions in small magnetic fields, order parameters for each of the most competitive symmetry-breaking states can be identified. In particular, we show that the "Kramers intervalley coherent state," which theoretical work predicts to be the ground state at even integer fillings, shows a Kekulé distortion which emerges only in a magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Multiferroic ground states in free standing perovskite-based nanodots: a density functional theory study

In this work, we use density functional theory to investigate the possibility of polar and multiferroic states in free-standing, perovskite-based nanodots at the atomic limit of miniaturization: single unit cells with terminations which allow centro-symmetry. We consider both A-O and B-O 2 terminations for three families of nanodots: (i) A = Ba with B = Ti, Zr, and Hf; (ii) A = Ca and Sr with B = Ti; and (iii) A = Na and K with B = Nb. We find all A–O terminated dots to be non-polar and to exhibit cubic symmetry (except for K 8 NbO 6 ), regardless of the presence of ferroelectricity in the bulk. In contrast, all the B–O 2 terminated nanodots considered relax to a non-cubic ground state. Rather surprisingly, all of these structures exhibit polar ground states (except NaNb 8 O 12 ). We propose a new structural parameter, the cluster tolerance factor (CTF), to determine whether a particular chemistry will result in a polar ground state nanodot, analogous to the Goldschmidt factor for bulk ferroelectrics. In addition, we find that all A–O terminated (except Ca 8 TiO 6 ) and all polar B–O 2 terminated nanodots are magnetic, where none show magnetism in the bulk. As with bulk systems, multiferroicity in the B–O 2 terminated dots originates from separation between spin density in peripheral B atoms and polarity primarily caused by the off-center central A atom. Our findings stress that surface termination plays a crucial role in determining whether ferroelectricity is completely suppressed in perovskite-based materials at their limit of miniaturization.

36 MATERIALS SCIENCE↗
NASA NTRS1995

High data density temperature measurement for quasi steady-state flows

A new optical instrument, the liquid crystal point diffraction interferometer (LCPDI), is used to measure the temperature distribution across a heated chamber filled with silicone oil. Data taken using the LCPDI are compared to equivalent measurements made with a traversing thermocouple and the two data sets show excellent agreement This instrument maintains the compact, robust design of Linnik's point diffraction interferometer and adds to it phase stepping capability for quantitative interferogram analysis. The result is a compact, simple to align, environmentally insensitive interferometer capable of accurately measuring optical wavefronts with very high data density and with automated data reduction.

Mercer, Carolyn R.↗
DOE OSTI2025

Plasmon Dynamics Driven by Aggregation of Tris(2,2′-bipyridine)ruthenium(II)-Functionalized Gold Nanoparticles Probed by XANES and Transient Absorption Spectroscopy

Energy conversion dynamics is critical for advancing next-generation photovoltaics, optoelectronics, and light-harvesting technologies. Noble metal plasmonic nanoparticles play a pivotal role as nanoscale electromagnetic confinement structures, driving photon-induced chemical reactions. In this study, we explore the effects of [Ru(bpy) 3 ] 2+ functionalization and aggregation on citrate-capped gold nanoparticles (AuNPs) of 40 and 100 nm diameters, focusing on molecule-plasmon interactions and their influence on electronic and energy dissipation properties. X-ray absorption near-edge spectroscopy (XANES) revealed that [Ru(bpy) 3 ] 2+ functionalization induces controlled aggregation without altering the oxidation state of gold. A more pronounced white-line intensity is observed in 40 nm AuNPs, consistent with greater s–p–d hybridization and a higher density of surface states, likely influenced by both nanoparticle size and aggregation. Transient absorption (TA) spectroscopy highlights faster electron–phonon relaxation dynamics in aggregated 40 nm nanoparticles, which is attributed to increased electron delocalization and more efficient coupling to the phonon bath. In contrast, 100 nm nanoparticles exhibit minimal changes due to a lower degree of aggregation. Interestingly, we observe that enhanced electron–phonon coupling in aggregated nanoparticles coincides with a slowing of electron–electron scattering. These observations suggest a competitive interplay between the two relaxation pathways, where enhanced energy transfer to the lattice in aggregated systems can suppress electronic thermalization. In conclusion, these findings underscore the critical role of nanoparticle size, aggregation, and molecule–surface interactions in modulating plasmonic dynamics and excited-state lifetimes and further provide valuable insights into designing tailored plasmonic systems with transformative potential for sensing, catalysis, and energy conversion.

36 MATERIALS SCIENCE↗
NASA NTRS1996

High Data Density Temperature Measurement for Quasi Steady-State Flows

A new optical instrument, the liquid crystal point diffraction interferometer (LCPDI), is used to measure the temperature distribution across a heated chamber filled with silicone oil. Data taken using the LCPDI are compared to equivalent measurements made with a traversing thermo-couple and the two data sets show excellent agreement. This instrument maintains the compact, robust design of Linniks point diffraction interferometer and adds to it phase stepping capability for quantitative interferogram analysis. The result is a compact, simple to align, environmentally insensitive interferometer capable of accurately measuring optical wave-fronts with very high data density and with automated data reduction.

Mercer, C. R.↗
DOE OSTI2025

Pressure-temperature equation of state of Al 2 ⁢O 3 up to 14 Mbar and 40 kK

Sapphire (Al 2 ⁢O 3 ), known for its remarkable incompressibility at ambient conditions, plays a pivotal role in both static and dynamic compression research. Accurately characterizing its equation of state (EoS) is essential for these applications. Here, we present a complete Hugoniot of Al 2 ⁢ O 3 as locus of experimentally assessed, high-precision, pressure, density and temperature states up to 14 Mbar and 43 kK. The Hugoniot is established with single shock experiments using magnetically launched hyper velocity flyers on the Z Accelerator at Sandia National Laboratories. We explore principal Hugoniot states at very high shock 𝑇 and 𝑝 in the solid phase, tracking the solid-liquid boundary and culminating at 2.4-fold compression, where data provides a direct constraint on the liquid phase. Corresponding shock release data probe thermodynamic states complementary to the Hugoniot and place additional constraints on tabular EoS models. Our findings indicate a significant deviation from existing tabular EoS models for Al 2 ⁢ O 3 dictating a comprehensive overhaul. We develop two advanced EoSs for Al 2 ⁢ O 3 the SESAME 97412 model, featuring an extensive phase diagram that includes three solid phases and the liquid phase, and the updated LEOS 2200m2 model. EoS development is assisted with Quantum Molecular Dynamics simulations. Our experimental data allows for stringent testing of our EoSs. Both models accurately capture the Hugoniot of Al 2 ⁢O 3 up to the highest pressures and temperatures. Rigorous experimental determination of extreme pressures and temperatures, paired with sophisticated models, advances the frontier of EoS development beyond 1 terapascal.

Kalita, Patricia [Sandia National Laboratories (SN↗