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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Numerical study of variable density turbulence interaction with a normal shock wave

Accurate numerical simulations of shock–turbulence interaction (STI) are conducted with a hybrid monotonicity-preserving–compact-finite-difference scheme for a detailed study of STI in variable density flows. Theoretical and numerical assessments of data confirm that all turbulence scales as well as the STI are well captured by the computational method. Linear interaction approximation (LIA) convergence tests conducted with the shock-capturing simulations exhibit a similar trend of converging to LIA predictions to shock-resolving direct numerical simulations (DNS). The effects of density variations on STI are studied by comparing the results corresponding to an upstream multi-fluid mixture with the single-fluid case. Here the results show that for the current parameter ranges, the turbulence amplification by the normal shock wave is much higher and the reduction in turbulence length scales is more significant when strong density variations exist. Turbulent mixing enhancement by the shock is also increased and stronger mixing asymmetry in the postshock region is observed when there is significant density variation. The turbulence structure is strongly modified by the shock wave, with a differential distribution of turbulent statistics in regions having different densities. The dominant mechanisms behind the variable density STI are identified by analysing the transport equations for the Reynolds stresses, vorticity, normalized mass flux and density specific volume covariance.

42 ENGINEERING↗
DOE OSTI2015

On the normal-mode frequency spectrum of kinetic magnetohydrodynamics

This paper presents an explicit proof that, in the kinetic magnetohydrodynamics framework, the squared frequencies of normal-mode perturbations about a static equilibrium are real. This proof is based on a quadratic form for the square-integrable normal-mode eigenfunctions and does not rely on demonstrating operator self-adjointness. Further, the analysis is consistent with the quasineutrality condition without involving any subsidiary constraint to enforce it, and does not require the assumption that all particle orbits be periodic. It applies to Maxwellian equilibria, spatially bounded by either a rigid conducting wall or by a plasma-vacuum interface where the density goes continuously to zero.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Persistent Protein Motions in a Rugged Energy Landscape Revealed by Normal Mode Ensemble Analysis

Proteins are allosteric machines that couple motions at distinct, often distant, sites to control biological function. Low-frequency structural vibrations are a mechanism of this long-distance connection and are often used computationally to predict correlations, but experimentally identifying the vibrations associated with specific motions has proved challenging. Spectroscopy is an ideal tool to explore these excitations, but measurements have been largely unable to identify important frequency bands. The result is at odds with some previous calculations and raises the question what methods could successfully characterize protein structural vibrations. Here we show the lack of spectral structure arises in part from the variations in protein structure as the protein samples the energy landscape. However, by averaging over the energy landscape as sampled using an aggregate 18.5 μs of all-atom molecular dynamics simulation of hen egg white lysozyme and normal-mode analyses, we find vibrations with large overlap with functional displacements are surprisingly concentrated in narrow frequency bands. These bands are not apparent in either the ensemble averaged vibrational density of states or isotropic absorption. However, in the case of the ensemble averaged anisotropic absorption, there is persistent spectral structure and overlap between this structure and the functional displacement frequency bands. We systematically lay out heuristics for calculating the spectra robustly, including the need for statistical sampling of the protein and inclusion of adequate water in the spectral calculation. The results show the congested spectrum of these complex molecules obscures important frequency bands associated with function and reveal a method to overcome this congestion by combining structurally sensitive spectroscopy with robust normal mode ensemble analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C–H Region of DMSO as a Case Study

Carbon-hydrogen (C-H) vibration modes serve as key probes in the chemical identification of hydrocarbons and in vibrational sum-frequency generation (SFG) spectroscopy of hydrocarbons at the liquid/gas interface. Their assignments pose a challenge from a theoretical viewpoint. Here in this work, we present a detailed study of the C-H stretching region of dimethyl sulfoxide (DMSO) using a new Gaussian basis set- based ab initio molecular dynamics (AIMD) module that we have implemented in the NWChem computational chemistry program. By combining AIMD simulations and static normal mode analysis, we interpret experimental infrared and Raman spectra and explore the role of anharmonic effects in this system. Our anharmonic normal mode analysis of the in-phase and out-of-phase symmetric C-H stretching modes challenges the previous experimental assignment of the shoulder in the symmetric C-H stretching peak as an overtone or Fermi resonance. In addition, our AIMD simulations also show significant broadening of the in-phase symmetric C-H stretching resonance, which suggests that the experimentally observed shoulder is due to thermal broadening of the symmetric stretching resonance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Elucidating Compositional Differences in Halide Perovskites for Normal and Inverted Perovskite Solar Cells

Over the recent few years, extensive research efforts have shifted from normal (n-i-p) to inverted (p-i-n) perovskite solar cells (PSCs), owing to their promising efficiency and operational stability, enabled by low-temperature processing. Despite a fundamentally identical operation principle (only structurally inverted), the optimized perovskite compositions for normal and inverted PSCs differ significantly across the literature, suggesting an underlying design principle for perovskite composition. Here, we unveil the role of cesium cation in enhancing interfacial contact between the perovskite layer and the underlying hole-transporting layer (HTL) in inverted PSCs. Comprehensive in situ and device characterization reveal that cesium incorporation promotes the formation of initial nucleation seeds for heterogeneous nucleation at the perovskite/hydrophobic HTL interface, thereby improving their contact. The resulting compositional heterogeneity explains the focus of recent studies on resolving this issue. This study provides mechanistic insight into designing perovskite compositions to further enhance the performance and longevity of PSCs.

Park, Keonwoo↗
DOE OSTI2018

Global Freshwater Availability Below Normal Conditions and Population Impact Under 1.5 and 2 °C Stabilization Scenarios

Based on the large ensembles of the half a degree additional warming, prognosis, and projected impacts historical, +1.5 and +2 °C experiments, we quantify changes in the magnitude of water availability (i.e., precipitation minus actual evapotranspiration; a function of monthly precipitation flux, latent heat flux, and surface air temperature) below normal conditions (less than median, e.g., 20th percentile water availability). In this study, we found that, relative to the historical experiment, water availability below normal conditions of the +1.5 and +2 °C experiments would decrease in the midlatitudes and the tropics, indicating that hydrological drought is likely to increase in warmer worlds. These cause more (less) people in East Asia, Central Europe, South Asia, and Southeast Asia (West Africa and Alaska/Northwest Canada) to be exposed to water shortage. Lastly, stabilizing warming at 1.5 °C instead of 2 °C would limit population impact in most of the regions, less effective in Alaska/Northwest Canada, Southeast Asia, and Amazon. Globally, this reduced population impact is ~117 million people.

1.5 °C warming↗
DOE OSTI2024

Relating Hydro–Mechanical and Elastodynamic Properties of Dynamically Stressed Tensile–Fractured Rock in Relation to Applied Normal Stress, Fracture Aperture, and Contact Area

We exploit nonlinear elastodynamic properties of fractured rock to probe the micro-scale mechanics of fractures and understand the relation between fluid transport and fracture aperture under dynamic stressing. Experiments were conducted on rough, tensile-fractured Westerly granite subject to triaxial stresses. We measure fracture permeability for steady-state fluid flow with deionized water. Pore pressure oscillations are applied at amplitudes ranging from 0.2 to 1 MPa at 1 Hz frequency. During dynamic stressing we transmit ultrasonic signals through the fracture using an array of piezoelectric transducers (PZTs) to monitor evolution of interface properties. We examine the influence of fracture aperture and contact area by conducting measurements at effective normal stresses of 10–20 MPa. Additionally, the evolution of contact area with stress is characterized using pressure sensitive film. These experiments are conducted separately with the same fracture and map contact area at stresses from 9 to 21 MPa. The measurements are a proxy for “true” contact area for the fracture surface and we relate them to elastic properties using the calculated PZT sensor footprints via numerical modeling of Fresnel zones. We compare the elastodynamic response of the fracture using the stress-induced changes in ultrasonic wave velocities for transmitter-receiver pairs to image spatial variations in contact properties. We show that nonlinear elasticity and permeability enhancement decrease with increasing normal stress. Additionally, post-oscillation wave velocity and permeability exhibit quick recoveries toward pre-oscillation values. Estimates of fracture contact area (global and local) demonstrate that the elastodynamic and permeability responses are dominated by fracture topology.

58 GEOSCIENCES↗
DOE OSTI2024

Emergent normal fluid in the superconducting ground state of overdoped cuprates

The microscopic mechanism for the disappearance of superconductivity in overdoped cuprates is still under heated debate. Here we use scanning tunneling spectroscopy to investigate the evolution of quasiparticle interference phenomenon in Bi 2 Sr 2 CuO 6+δ over a wide range of hole densities. We find that when the system enters the overdoped regime, a peculiar quasiparticle interference wavevector with arc-like pattern starts to emerge even at zero bias, and its intensity grows with increasing doping level. Its energy dispersion is incompatible with the octet model for d-wave superconductivity, but is highly consistent with the scattering interference of gapless normal carriers. The gapless quasiparticles are mainly located near the antinodes and are independent of temperature, consistent with the disorder scattering mechanism. We propose that a branch of normal fluid emerges from the pair-breaking scattering between flat antinodal bands in the quantum ground state, which is the primary cause for the reduction of superfluid density and suppression of superconductivity in overdoped cuprates.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Superconductivity and normal-state transport in compressively strained La 2 PrNi 2 O 7 thin films

The discovery of superconductivity under high pressure in Ruddlesden-Popper phases of bulk nickelates has sparked great interest in stabilizing ambient pressure superconductivity in thin-film form using epitaxial strain. Recently, signs of superconductivity have been observed in compressively strained bilayer nickelate thin films with an onset temperature exceeding 40 K, albeit with broad and two-step-like transitions. Here, in this study, we report intrinsic superconductivity and normal-state transport properties in compressively strained La 2 PrNi 2 O 7 thin films, achieved through a combination of isovalent Pr substitution, growth optimization, and precision ozone annealing. The superconducting onset occurs above 48 K, with zero resistance reached above 30 K, and the critical current density at 1.4 K is 100-fold larger than previous reports. The normal-state resistivity exhibits quadratic temperature dependence indicative of Fermi liquid behaviour, and other phenomenological similarities to transport in overdoped cuprates suggest parallels in their emergent properties.

Liu, Yidi [SLAC National Accelerator Laboratory (S↗
DOE OSTI2018

Superconducting and normal-state anisotropy of the doped topological insulator Sr 0.1 Bi 2 Se 3

Sr x Bi 2 Se 3 and the related compounds Cu x Bi 2 Se 3 and Nb x Bi 2 Se 3 have attracted considerable interest, as these materials may be realizations of unconventional topological superconductors. Superconductivity with T c ~3 K in Sr x Bi 2 Se 3 arises upon intercalation of Sr into the layered topological insulator Bi 2 Se 3 . Here we elucidate the anisotropy of the normal and superconducting state of Sr 0.1 Bi 2 Se 3 with angular dependent magnetotransport and thermodynamic measurements. High resolution x-ray diffraction studies underline the high crystalline quality of the samples. We demonstrate that the normal state electronic and magnetic properties of Sr 0.1 Bi 2 Se 3 are isotropic in the basal plane while we observe a large two-fold in-plane anisotropy of the upper critical field in the superconducting state. In conclusion, our results support the recently proposed odd-parity nematic state characterized by a nodal gap of Eu symmetry in Sr x Bi 2 Se 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Machine learning approaches to predict gestational age in normal and complicated pregnancies via urinary metabolomics analysis

The elucidation of dynamic metabolomic changes during gestation is particularly important for the development of methods to evaluate pregnancy status or achieve earlier detection of pregnancy-related complications. Some studies have constructed models to evaluate pregnancy status and predict gestational age using omics data from blood biospecimens; however, less invasive methods are desired. Here we propose a model to predict gestational age, using urinary metabolite information. In our prospective cohort study, we collected 2741 urine samples from 187 healthy pregnant women, 23 patients with hypertensive disorders of pregnancy, and 14 patients with spontaneous preterm birth. Using gas chromatography-tandem mass spectrometry, we identified 184 urinary metabolites that showed dynamic systematic changes in healthy pregnant women according to gestational age. A model to predict gestational age during normal pregnancy progression was constructed; the correlation coefficient between actual and predicted weeks of gestation was 0.86. The predicted gestational ages of cases with hypertensive disorders of pregnancy exhibited significant progression, compared with actual gestational ages. This is the first study to predict gestational age in normal and complicated pregnancies by using urinary metabolite information. Minimally invasive urinary metabolomics might facilitate changes in the prediction of gestational age in various clinical settings.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Topologically associating domain boundaries are required for normal genome function

Topologically associating domain (TAD) boundaries partition the genome into distinct regulatory territories. Anecdotal evidence suggests that their disruption may interfere with normal gene expression and cause disease phenotypes1,2,3, but the overall extent to which this occurs remains unknown. Here we demonstrate that targeted deletions of TAD boundaries cause a range of disruptions to normal in vivo genome function and organismal development. We used CRISPR genome editing in mice to individually delete eight TAD boundaries (11–80 kb in size) from the genome. All deletions examined resulted in detectable molecular or organismal phenotypes, which included altered chromatin interactions or gene expression, reduced viability, and anatomical phenotypes. We observed changes in local 3D chromatin architecture in 7 of 8 (88%) cases, including the merging of TADs and altered contact frequencies within TADs adjacent to the deleted boundary. For 5 of 8 (63%) loci examined, boundary deletions were associated with increased embryonic lethality or other developmental phenotypes. For example, a TAD boundary deletion near Smad3/Smad6 caused complete embryonic lethality, while a deletion near Tbx5/Lhx5 resulted in a severe lung malformation. Our findings demonstrate the importance of TAD boundary sequences for in vivo genome function and reinforce the critical need to carefully consider the potential pathogenicity of noncoding deletions affecting TAD boundaries in clinical genetics screening.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Artificial inflation of apparent photocatalytic activity induced by catalyst-mass-normalization and a method to fairly compare heterojunction systems

Despite the possibility of using photocatalysts to sustainably produce fuels and chemicals, overall reaction rates remain prohibitively low, largely limited by recombination of photogenerated electrons and holes. Past research on suppressing this recombination by the addition of co-catalysts or by the formation of heterojunctions has led to claims that rates show enhancement compared to the single-component, junction-free counterparts. Yet, comparing these systems is rendered difficult by the common practice of reporting rates on a catalyst mass basis. Using a model system of TiO 2 and g-C 3 N 4 with Pt, here we show that normalizing photocatalytic rates by mass fails to provide mechanistic insight and can also artificially inflate the apparent performance of heterojunction systems—in our case, overestimating the enhancement by 24 ± 7%. This effect is caused by the nonlinearity of light absorption with respect to the concentration of each light-absorbing component, according to Beer's law. This factor needs to be taken into account to verify if improvements in absolute activity correspond to intrinsic activity. To this end, an approach is introduced for approximating a system quantum yield from measured reaction rates under simulated solar or otherwise polychromatic light. A sensitivity analysis provides guidelines for reducing the artificial enhancement introduced by mass-normalization for any heterojunction system.

14 SOLAR ENERGY↗
DOE OSTI2019

Interoperability study of fast wireless charging and normal wireless charging of electric vehicles with a shared receiver

Fast charging of electric vehicles (EVs) has been the trend recently. For conductive charging, normal charging can be realised by an on‐board charger, while fast charging can be realised by a DC charger which is usually off‐board the vehicle. However, for wireless charging, there is a need of a transmitter on the ground and a receiver on the EV side. Therefore, there will be a high‐power receiver and a low‐power receiver in one EV to achieve dual charging capabilities. To reduce the EV‐side cost, weight, and volume, this paper proposes a wireless charging system with a shared receiver compatible of fast wireless charging (FWC) at a small air gap and normal wireless charging (NWC) at a large air gap. The relationship between the coil size and the power level is investigated and a suitable receiver coil size is selected for FWC. The LCC‐LCC topology is selected due to its characteristic of output power proportional to the coupling coefficient. Design procedures of the receiver and transmitters are investigated. The simulations and the experimental results obtained from the downscaled prototype verified the effectiveness of the compatibility design.

Zhang, Yiming↗
DOE OSTI2014

Spin transport in normal metal/insulator/topological insulator coupled to ferromagnetic insulator structures

In this study, we investigate the spin transport in normal metal (NM)/insulator (I)/topological insulator (TI) coupled to ferromagnetic insulator (FI) structures. In particular, we focus on the barrier thickness dependence of the spin transport inside the bulk gap of the TI with FI. The TI with FI is described by two-dimensional (2D) Dirac Hamiltonian. The energy profile of the insulator is assumed to be a square with barrier height V and thickness d along the transport-direction. This structure behaves as a tunnel device for 2D Dirac electrons. The calculation is performed for the spin conductance with changing the barrier thickness and the components of magnetization of FI layer. It is found that the spin conductance decreases with increasing the barrier thickness. Also, the spin conductance is strongly dependent on the polar angle θ, which is defined as the angle between the axis normal to the FI and the magnetization of FI layer. These results indicate that the structures are promising candidates for novel tunneling magnetoresistance devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Indirect methods of determination of the asymptotic normalization coefficients and their application for nuclear astrophysics

The basic methods of the determination of asymptotic normalization coefficient for A+a→B of astrophysical interest are briefly presented. The results of the application of the specific asymptotic normalization coefficients derived within these methods for the extrapolation of the astrophysical S factors to experimentally inaccessible energy regions (E ≤ 25 keV) for the some specific radiative capture A(a,γ)B reactions of the pp-chain and the CNO cycle are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Note: A novel normalization scheme for laser-based plasma x-ray sources

A kHz repetition rate laser pump-X-ray probe system for ultrafast X-ray diffraction is set up based on a laser-driven plasma X-ray source. A simple and reliable normalization approach has been developed to minimize the impact of large X-ray pulse intensity fluctuation on data quality. It utilizes one single X-ray area detector to record both sample and reference signals simultaneously. Performance of this novel normalization method is demonstrated in reflectivity oscillation measurement of a superlattice sample at sub-ps resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Target normal sheath acceleration of foil ions by laser-trapped hot electrons from a long subcritical-density preplasma

In a long subcritical density plasma, an ultrashort ultraintense laser pulse can self-organize into a fast but sub-relativistic propagating structure consisting of the modulated laser light and a large number of trapped electrons from the plasma. Upon impact of the structure with a solid foil target placed in the latter, the remaining laser light is reflected, but the dense and hot trapped electrons pass through the foil, together with the impact-generated target-frontsurface electrons to form a dense hot electron cloud at the back of the target suitable for enhancing target normal sheath acceleration of the target-backsurface ions. The accelerated ions are well collimated and of high charge and energy densities, with peak energies a full order of magnitude higher than that from target normal sheath acceleration without the subcritical density plasma. In the latter case, the space-charge field accelerating the ions is limited since they are formed only by the target-frontsurface electrons during the very short instant of laser reflection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗