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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Bulk viscosity from Urca processes: npeμ matter in the neutrino-trapped regime

In this work, we extend our previous study of the bulk viscosity of hot and dense npe matter induced by the Urca process in the neutrino trapped regime to npeμ matter by adding the muonic Urca processes as well as the purely leptonic electroweak processes involving electron-muon transition. Here, the nuclear matter is modeled in a relativistic density functional approach with two different parametrizations which predict neutrino dominated matter (DDME2 model) and anti-neutrino dominated matter (NL3 model) at temperatures for which neutrinos/anti-neutrinos are trapped. In the case of neutrino-dominated matter, the main equilibration mechanism is lepton capture, whereas in the case of antineutrino-dominated matter this is due to neutron decay. We find that the equilibration rates of Urca processes are higher than that of the pure leptonic processes, which implies that the Urca bulk viscosity can be computed with the leptonic reactions assumed to be frozen. We find that the bulk viscosity decreases with temperature as ζ~T –2 at moderate temperatures. At high temperatures this scaling breaks down by sharp drops of the bulk viscosity close to the temperature where the proton fraction is density-independent and the matter becomes scale-invariant. This occurs also when the matter undergoes a transition from the antineutrino-dominated regime to the neutrino-dominated regime where the bulk viscosity attains a local maximum. We also estimate the bulk viscous dissipation timescales and find that these are in the range ≳ 1 s for temperatures above the neutrino trapping temperature. These timescales would be relevant only for long-lived objects formed in binary neutron star mergers and hot proto-neutron stars formed in core-collapse supernovas.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Evolution of surface structure in laser-preheated, perturbed materials

Here, we report an experimental and computational study investigating the effects of laser preheat on the hydrodynamic behavior of a material layer. In particular, we find that perturbation of the surface of the layer results in a complex interaction, in which the bulk of the layer develops density, pressure, and temperature structure and in which the surface experiences instability-like behavior, including mode coupling. A uniform one-temperature preheat model is used to reproduce the experimentally observed behavior, and we find that this model can be used to capture the evolution of the layer, while also providing evidence of complexities in the preheat behavior. Lastly, this result has important consequences for inertially confined fusion plasmas, which can be difficult to diagnose in detail, as well as for laser hydrodynamics experiments, which generally depend on assumptions about initial conditions in order to interpret their results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Correlations between In Situ Conductivity and Uniform-Height Epitaxial Morphology in Pb / Si ( 1 1 1 ) ₋ ( 7 × 7 )

The growth of Pb on Si(111)-7x7 at temperatures from 72 K to 201 K has been investigated using in situ electrical resistivity measurements and Scanning Tunneling Microscopy (STM). For temperatures T>140 K the specific resistivity ρ(θ) vs coverage θ shows an unusual "hump", instead of the expected monotonic decrease with θ. This novel result correlates well with the formation of uniform height 8-layer Pb islands and the superdiffusive motion of the wetting layer, despite the low temperatures. A model of the film resistivity as two resistors in series, the amorphous wetting layer and the crystalline islands, explains quantitatively the resistivity dependence on θ.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Solvation in Space-time: Pretransition Effects in Trajectory Space

We demonstrate pretransition effects in space-time in trajectories of systems in which the dynamics displays a first-order phase transition between distinct dynamical phases. These effects are analogous to those observed for thermodynamic first-order phase transitions, most notably the hydrophobic effect in water. Considering the (infinite temperature) East model as an elementary example, we study the properties of "space-time solvation" by examining trajectories where finite space-time regions are conditioned to be inactive in an otherwise active phase. We find that solvating an inactive region of space-time within an active trajectory shows two regimes in the dynamical equivalent of solvation free energy: An "entropic" small solute regime in which uncorrelated fluctuations are sufficient to evacuate activity from the solute, and an "energetic" large solute regime which involves the formation of a solute-induced inactive domain with an associated active-inactive interface bearing a dynamical interfacial tension. We also show that as a result of this dynamical interfacial tension there is a dynamical analog of the hydrophobic collapse that drives the assembly of large hydrophobes in water. We discuss the general relevance of these results to the properties of dynamical fluctuations in systems with slow collective relaxation such as glass formers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Interfacial thermal transport in spin caloritronic material systems

Interfaces often govern the thermal performance of nanoscale devices and nanostructured materials. As a result, accurate knowledge of thermal interface conductance is necessary to model the temperature response of nanoscale devices or nanostructured materials to heating. Here, we report the thermal boundary conductance between metals and insulators that are commonly used in spin-caloritronic experiments. We use time-domain thermoreflectance to measure the interface conductance between metals such as Au, Pt, Ta, Cu, and Al with garnet and oxide substrates, e.g., NiO, yttrium iron garnet (YIG), thulium iron garnet (TmIG), Cr 2 O 3 , and sapphire. We find that, at room temperature, the interface conductance in these types of material systems range from 50 to 300 MW m –2 K –1 . Furthermore, we also measure the interface conductance between Pt and YIG at temperatures between 80 and 350 K. At room temperature, the interface conductance of Pt/YIG is 170 MW m –2 K –1 and the Kapitza length is ~40 nm. A Kapitza length of 40 nm means that, in the presence of a steady-state heat current, the temperature drop at the Pt/YIG interface is equal to the temperature drop across a 40-nm-thick layer of YIG. At 80 K, the interface conductance of Pt/YIG is 60 MW m –2 K –1 , corresponding to a Kapitza length of ~300 nm.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electron-Phonon Renormalization in the Proton-Conducting Electrolyte Ba Zr O 3 and Its Implications for High-Temperature Electrolysis

Electrical leakage is an inherent problem in solid-oxide fuel and electrolyzer cells, limiting their energy-conversion efficiency. High concentrations of electrons or holes can exacerbate this issue. However, it is largely unclear how the typical high operating temperatures of the systems influence their charge-carrier concentrations. In this work, we use first-principles calculations to examine how lattice vibrations impact electrical conductivity in conventional electrolytes, using Ba Zr O 3 as a representative material. Our analysis shows that phonon-induced shifts in the band gap and band edges lead to a dramatic increase in p -type carrier concentrations at temperatures above 600 K, compared to models that neglect temperature effects. Additionally, we reveal the importance of oxygen-ion motion on band-edge positions, which makes valence-band-edge shift dominate the band-gap change. Our study provides a protocol for calculating phonon-induced changes in similar oxides, paving the way for interrogating electrical leakage in electrolytes for high-temperature operation. Published by the American Physical Society 2025

25 ENERGY STORAGE↗
DOE OSTI2015

On the Reliability of Photovoltaic Short-Circuit Current Temperature Coefficient Measurements

The changes in short-circuit current of photovoltaic (PV) cells and modules with temperature are routinely modeled through a single parameter, the temperature coefficient (TC). This parameter is vital for the translation equations used in system sizing, yet in practice is very difficult to measure. In this paper, we discuss these inherent problems and demonstrate how they can introduce unacceptably large errors in PV ratings. A method for quantifying the spectral dependence of TCs is derived, and then used to demonstrate that databases of module parameters commonly contain values that are physically unreasonable. Possible ways to reduce measurement errors are also discussed.

14 SOLAR ENERGY↗
DOE OSTI2016

Spectrum-per-Pixel Cathodoluminescence Imaging of CdTe Thin-Film Bevels

We conduct T=6 K cathodoluminescence (CL) spectrum imaging with a nano-scale electron beam on beveled surfaces of CdTe thin-films at different critical stages of standard CdTe device fabrication. The through-thickness total CL intensity profiles are consistent with a reduction in grain boundary recombination due to the CdCl2 treatment. Color-coded maps of the low-temperature luminescence transition energies reveal that CdTe thin films have remarkably non-uniform opto-electronic properties, which depend strongly on sample processing history. The grain-to-grain S content in the interdiffused CdTe/CdS region is estimated from a sample size of thirty-five grains, and the S content in adjacent grains varies significantly in CdCl2-treated samples. A low-temperature luminescence model is developed to interpret spectral behavior at grain boundaries and grain interiors.

14 SOLAR ENERGY↗
DOE OSTI2017

Challenging terrestrial biosphere models with data from the long-term multifactor Prairie Heating and CO 2 enrichment experiment

Multi-factor experiments are often advocated as important for advancing terrestrial biosphere models (TBMs), yet to date such models have only been tested against single-factor experiments. We applied 10 TBMs to the multi-factor Prairie Heating and CO 2 Enrichment (PHACE) experiment in Wyoming, USA. Our goals were to investigate how multi-factor experiments can be used to constrain models, and to identify a road map for model improvement. We found models performed poorly in ambient conditions; there was a wide spread in simulated above-ground net primary productivity (range: 31-390 g C m -2 yr -1 ). Comparison with data highlighted model failures particularly in respect to carbon allocation, phenology, and the impact of water stress on phenology. Performance against single-factors was also relatively poor. In addition, similar responses were predicted for different reasons across models: there were large differences among models in sensitivity to water stress and, among the nitrogen cycle models, nitrogen availability during the experiment. Models were also unable to capture observed treatment effects on phenology: they over-estimated the effect of warming on leaf onset and did not allow CO 2 -induced water savings to extend growing season length. Observed interactive (CO 2 x warming) treatment effects were subtle and contingent on water stress, phenology and species composition. Since the models did not correctly represent these processes under ambient and single-factor conditions, little extra information was gained by comparing model predictions against interactive responses. Finally, we outline a series of key areas in which this and future experiments could be used to improve model predictions of grassland responses to global change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Numerical Simulation and Optimization of the Thermodynamic Process of the Molten Salt Furnace

In this paper, a numerical model of the molten salt furnace process was developed, by using computational fluid dynamics (CFD) technique and considering the gas flow, the combustion and the radiation heat transfer. The results demonstrate that the performances of the salt furnace could be improved by optimization using the numerical model. The temperatures along the circumference of the furnace coil and outside shell are quite even, and the deviant combustion phenomenon is not observed. A back-flow formed in the upper part of the furnace chamber enhances the circulation and the mixing of the gas and effectively stabilizes the combustion in the furnace. The behaviors of CO, CO 2 , NO x , and H 2 O are presented in terms of the gas flow, temperature distribution and volumetric concentration distribution. It is concluded that the furnace with the constant air flow rate of 15,500 Nm 3 /h and the guiding vane angle at 48–50 deg is optimized for the combustion effectiveness.

42 ENGINEERING↗
DOE OSTI2012

Optimization of the magnetocaloric effect in Ni-Mn-In alloys: A theoretical study

Based on ab initio and Monte Carlo simulations, we study the influence of the strength of the magnetic exchange parameters on the inverse and conventional magnetocaloric effect in the Ni{sub 50}Mn{sub 34}In{sub 16} Heusler alloy using the mixed Potts and Blume-Emery-Griffiths model Hamiltonian. Within the proposed model, the temperature dependences of the magnetization, tetragonal deformation, and adiabatic temperature changes for magnetic field variation are obtained. It is first shown that a decrease in the magnetic exchange interactions leads to increased values of the magnetocaloric effect. We suppose that a reduction of the exchange interactions in the Ni-Mn-In alloy can be realized by the doping with nonmagnetic atoms such as B, Si, Zn, Cu, etc.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Collision of plane thermonuclear detonation waves in a preliminarily compressed DT mixture

The paper deals with a one-dimensional problem on symmetric irradiation of a plane DT fuel layer with a thickness 2H and density ρ{sub 0} ⩽ 100ρ{sub s} (where ρ{sub s} is the density of the DT fuel in the solid state at atmospheric pressure and a temperature of 4 K) by two identical monoenergetic proton beams with a kinetic energy of 1 MeV, an intensity of 10{sup 19} W/cm{sup 2}, and a duration of 50 ps. The problem is solved in the framework of one-fluid two-temperature hydrodynamic model that takes into account the equation of state for hydrogen, electron and ion heat conductivities, kinetics of the DT reaction, plasma self-radiation, and plasma heating by α-particles. The irradiation of the fuel results in the appearance of two counterpropagating detonation waves to the fronts of which rarefaction waves are adjacent. The efficiency of the DT reaction after the collision (reflection from the plane of symmetry) of the detonation waves depends on the spatial homogeneity of thermodynamic functions between the fronts of the reflected detonation waves. At Hρ{sub 0} ≈ 1 g/cm{sup 2}, the gain factor is G ≈ 200, whereas at Hρ{sub 0} ≈ 5 g/cm{sup 2}, it is G > 2000. As applied to a cylindrical target that is ignited from ends and in which the cylinder with the fuel is surrounded by a heavy magnetized shell, the obtained values of the burn-up and gain factors are maximum possible. To estimate the ignition energy E{sub ig} of a cylindrical target by using solutions to the one-dimensional problem, a quasi-one-dimensional model is developed. The model assumes that the main mechanism of target ignition is fuel heating by α-particles. The trajectories of α-particles are limited by a cylindrical surface with a given radius, which is a parameter of the model and is identified with the fuel radius in the target and the radii of the irradiating proton beams. This model reproduces the well-known theoretical dependence E{sub ig} ∼ ρ{sub 0}{sup −2} and yields E{sub ig} = 160 kJ as a lower estimate of the ignition energy for ρ{sub 0} = 100ρ{sub s} ≈ 22 g/cm{sup 3}.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

On interpretation of fluctuations of conserved charges at high T

Abstract Fluctuations of conserved charges calculated on the lattice which can be measured experimentally, are well reproduced by a hadron resonanse gas model at temperatures below$$T_{ch} \sim 155$$ T ch ∼ 155 MeV and radically deviate from the hadron resonance gas predictions above the chiral restoration crossover. This behaviour is typically interpreted as an indication of deconfinement in the quark-gluon plasma regime. We present an argument that this interpretation may be too simple. The argument is based on the scaling of quantities with the number of colors: demonstration of deconfinement and QGP requires observable that is sensitive to$$\sim N_c^2$$ ∼ N c 2 gluons while the conserved charges are sensitive only to quarks and above$$T_{ch}$$ T ch scale as$$N_c^1$$ N c 1 . The latter scaling is consistent with the existence of an intermediate regime characterized by restored chiral symmetry and by approximate chiral spin symmetry which is a symmetry of confining interaction. In this regime the energy density, pressure and entropy density scale as$$N_c^1$$ N c 1 . In the large$$N_c$$ N c limit this regime might become a distinct phase separated from the hadron gas and from QGP by phase transitions. A natural observable that associates with deconfinement and is directly sensitive to deconfined$$N_c^2-1$$ N c 2 - 1 gluons is the Polyakov loop; in the$$N_c=3$$ N c = 3 world it remains very close to 0 at temperatures well above chiral crossover, reaches the value$$\sim 0.5$$ ∼ 0.5 around$$\sim 3T_{ch}$$ ∼ 3 T ch and the value close to 1 at temperatures$$\sim 1$$ ∼ 1 GeV.

Physics↗
DOE OSTI2017

Influence of Hydrogen Bonding on the Kinetic Stability of Vapor Deposited Glasses of Triazine Derivatives

It has recently been established that physical vapor deposition (PVD) can produce organic glasses with enhanced kinetic stability, high density, and anisotropic packing, with the substrate temperature during deposition (Tsubstrate) as the key control parameter. The influence of hydrogen bonding on the formation of PVD glasses has not been fully explored. Herein, we use a high-throughput preparation method to vapor-deposit three triazine derivatives over a wide range of Tsubstrate, from 0.69 to 1.08Tg, where Tg is the glass transition temperature. These model systems are structural analogues containing a functional group with different H-bonding capability at the 2-position of a triazine ring: (1) 2-methylamino-4,6-bis(3,5-dimethyl-phenylamino)-1,3,5-triazine (NHMe) (H-bond donor), (2) 2-methoxy-4,6-bis(3,5-dimethyl-phenylamino)-1,3,5-triazine (OMe) (H-bond acceptor), and (3) 2-ethyl-4,6-bis(3,5-dimethyl-phenylamino)-1,3,5-triazine (Et) (none). Using spectroscopic ellipsometry, we find that the Et and OMe compounds form PVD glasses with relatively high kinetic stability, with the transformation time (scaled by the α-relaxation time) on the order of 103, comparable to other highly stable glasses formed by PVD. In contrast, PVD glasses of NHMe are only slightly more stable than the corresponding liquid-cooled glass. Using IR spectroscopy, we find that both the supercooled liquid and the PVD glasses of the NHMe derivative show a higher average number of bonded NH per molecule than that in the other two compounds. These results suggest that H-bonds hinder the formation of stable glasses, perhaps by limiting the surface mobility. Interestingly, despite this difference in kinetic stability, all three compounds show properties typically observed in highly stable glasses prepared by PVD, including a higher density and anisotropic molecular packing (as characterized by IR and wide-angle X-ray scattering).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Data and scripts associated with a manuscript on residence time distribution simulation in two 10-kilometer long river sections

This data package is associated with the publication “On the Transferability of Residence Time Distributions in Two 10-km Long River Sections with Similar Hydromorphic Units” submitted to the Journal of Hydrology (Bao et al. 2024).Quantifying hydrologic exchange fluxes (HEFs) at the stream-groundwater interface, along with their residence time distributions (RTDs) in the subsurface, is crucial for managing water quality and ecosystem health in dynamic river corridors. However, directly simulating high-spatial resolution HEFs and RTDs can be a time-consuming process, particularly for watershed-scale modeling. Efficient surrogate models that link RTDs to hydromorphic units (HUs) may serve as alternatives for simulating RTDs in large-scale models. One common concern with these surrogate models, however, is the transferability of the relationship between the RTDs and HUs from one river corridor to another. To address this, we evaluated the HEFs and the resulting RTD-HU relationships for two 10-kilometer-long river corridors along the Columbia River, using a one-way coupled three-dimensional transient surface-subsurface water transport modeling framework that we previously developed. Applying this framework to the two river corridors with similar HUs allows for quantitative comparisons of HEFs and RTDs using both statistical tests and machine learning classification models. This data package includes the model inputs files and the simulation results data. This data package contains 10 folders. The modeling simulation results data are in the folders 100H_pt_data and 300area_pt_data, for the study domain Hanford 100H and 300 area respectively. The remaining eight folders contain the scripts and data to generate the manuscript figures. The file-level metadata file (Bao_2024_Residence_Time_Distribution _flmd.csv) includes a list of all files contained in this data package and descriptions for each. The data dictionary file (Bao_2024_Residence_Time_Distribution _dd.csv) includes column header definitions and units of all tabular files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Joule heating in bad and slow metals

Heat supplied to a metal is absorbed by the electrons and then transferred to the lattice. In conventional metals energy is released to the lattice by phonons emitted from the Lindhard continuum. However in a 'bad' metal, with short mean free path, the low energy Lindhard continuum is destroyed. To describe energy transfer to the lattice in these cases we obtain a general Kubo formula for the energy relaxation rate in terms of the electronic density spectral weight \text{lm} \, G^R_{nn}(\omega_{k},k) lm G n n R ( ω k , k ) evaluated on the phonon dispersion \omega_k ω k . We apply our Kubo formula to the high temperature Hubbard model, using recent data from quantum Monte Carlo and experiments in ultracold atoms to characterize \text{lm} \, G^R_{nn}(\omega_{k},k) lm G n n R ( ω k , k ) . We furthermore use recent data from electron energy-loss spectroscopy to estimate the energy relaxation rate of the cuprate strange metal to a high energy optical phonon. As a second, distinct, application of our formalism we consider 'slow' metals. These are defined to have Fermi velocity less than the sound velocity, so that particle-hole pairs are kinematically unable to emit phonons. We obtain an expression for the energy relaxation rate of a slow metal in terms of the optical conductivity.

36 MATERIALS SCIENCE↗