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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Increasing large wildfires over the western United States linked to diminishing sea ice in the Arctic

Abstract The compound nature of large wildfires in combination with complex physical and biophysical processes affecting variations in hydroclimate and fuel conditions makes it difficult to directly connect wildfire changes over fire-prone regions like the western United States (U.S.) with anthropogenic climate change. Here we show that increasing large wildfires during autumn over the western U.S. are fueled by more fire-favorable weather associated with declines in Arctic sea ice during preceding months on both interannual and interdecadal time scales. Our analysis (based on observations, climate model sensitivity experiments, and a multi-model ensemble of climate simulations) demonstrates and explains the Arctic-driven teleconnection through regional circulation changes with the poleward-shifted polar jet stream and enhanced fire-favorable surface weather conditions. The fire weather changes driven by declining Arctic sea ice during the past four decades are of similar magnitude to other leading modes of climate variability such as the El Niño-Southern Oscillation that also influence fire weather in the western U.S.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Increased Asian aerosols drive a slowdown of Atlantic Meridional Overturning Circulation

Observational evidence and climate model experiments suggest a slowdown of the Atlantic Meridional Overturning Circulation (AMOC) since the mid-1990s. Increased greenhouse gases and the declined anthropogenic aerosols (AAs) over North America and Europe are believed to contribute to the AMOC slowdown. Asian AAs continue to increase but the associated impact has been unclear. Using ensembles of climate simulations, here we show that the radiative cooling resulting from increased Asian AAs drives an AMOC reduction. The increased AAs over Asia generate circumglobal stationary Rossby waves in the northern midlatitudes, which shift the westerly jet stream southward and weaken the subpolar North Atlantic westerlies. Consequently, reduced transport of cold air from North America hinders water mass transformation in the Labrador Sea and thus contributes to the AMOC slowdown. The link between increased Asian AAs and an AMOC slowdown is supported by different models with different configurations. Thus, reducing emissions of Asian AAs will not only lower local air pollution, but also help stabilize the AMOC.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Higher CO 2 concentrations increase extreme event risk in a 1.5 °C world

The Paris Agreement aims to ‘pursue efforts to limit the temperature increase to 1.5 °C above pre-industrial levels.’ However, it has been suggested that temperature targets alone are insufficient to limit the risks associated with anthropogenic emissions. Here, using an ensemble of model simulations, we show that atmospheric CO 2 increase—an even more predictable consequence of emissions than global temperature increase—has a significant direct impact on Northern Hemisphere summer temperature, heat stress, and tropical precipitation extremes. Hence in an iterative climate mitigation regime aiming solely for a specific temperature goal, an unexpectedly low climate response may have corresponding ‘dangerous’ changes in extreme events. The direct impact of higher CO 2 concentrations on climate extremes therefore substantially reduces the upper bound of the carbon budget, and highlights the need to explicitly limit atmospheric CO2 concentration when formulating allowable emissions. Thus, complementing global mean temperature goals with explicit limits on atmospheric CO 2 concentrations in future climate policy would limit the adverse effects of high-impact weather extremes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Confinement Effects on Carbon Dioxide Methanation: A Novel Mechanism for Abiotic Methane Formation

An important scientific debate focuses on the possibility of abiotic synthesis of hydrocarbons during oceanic crust-seawater interactions. While on-site measurements near hydrothermal vents support this possibility, laboratory studies have provided data that are in some cases contradictory. At conditions relevant for sub-surface environments it has been shown that classic thermodynamics favour the production of CO 2 from CH 4 , while abiotic methane synthesis would require the opposite. However, confinement effects are known to alter reaction equilibria. This report shows that indeed thermodynamic equilibrium can be shifted towards methane production, suggesting that thermal hydrocarbon synthesis near hydrothermal vents and deeper in the magma-hydrothermal system is possible. We report reactive ensemble Monte Carlo simulations for the CO 2 methanation reaction. We compare the predicted equilibrium composition in the bulk gaseous phase to that expected in the presence of confinement. In the bulk phase we obtain excellent agreement with classic thermodynamic expectations. When the reactants can exchange between bulk and a confined phase our results show strong dependency of the reaction equilibrium conversions, X CO 2 , on nanopore size, nanopore chemistry, and nanopore morphology. Some physical conditions that could shift significantly the equilibrium composition of the reactive system with respect to bulk observations are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Negative Differential Conductance & Hot-Carrier Avalanching in Monolayer WS2 FETs

The high field phenomena of inter-valley transfer and avalanching breakdown have long been exploited in devices based on conventional semiconductors. In this Article, we demonstrate the manifestation of these effects in atomically-thin WS 2 field-effect transistors. The negative differential conductance exhibits all of the features familiar from discussions of this phenomenon in bulk semiconductors, including hysteresis in the transistor characteristics and increased noise that is indicative of travelling high-field domains. It is also found to be sensitive to thermal annealing, a result that we attribute to the influence of strain on the energy separation of the different valleys involved in hot-electron transfer. This idea is supported by the results of ensemble Monte Carlo simulations, which highlight the sensitivity of the negative differential conductance to the equilibrium populations of the different valleys. At high drain currents (>10 μA/μm) avalanching breakdown is also observed, and is attributed to trap-assisted inverse Auger scattering. This mechanism is not normally relevant in conventional semiconductors, but is possible in WS 2 due to the narrow width of its energy bands. The various results presented here suggest that WS 2 exhibits strong potential for use in hot-electron devices, including compact high-frequency sources and photonic detectors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The role of nonequilibrium LO phonons, Pauli exclusion, and intervalley pathways on the relaxation of hot carriers in InGaAs/InGaAsP multi-quantum-wells

Under continuous-wave laser excitation in a lattice-matched In 0.53 Ga 0.47 As/In 0.8 Ga 0.2 As 0.44 P 0.56 multi-quantum-well (MQW) structure, the carrier temperature extracted from photoluminescence rises faster for 405 nm compared with 980 nm excitation, as the injected carrier density increases. Ensemble Monte Carlo simulation of the carrier dynamics in the MQW system shows that this carrier temperature rise is dominated by nonequilibrium LO phonon effects, with the Pauli exclusion having a significant effect at high carrier densities. Further, we find a significant fraction of carriers reside in the satellite L-valleys for 405 nm excitation due to strong intervalley transfer, leading to a cooler steady-state electron temperature in the central valley compared with the case when intervalley transfer is excluded from the model. Good agreement between experiment and simulation has been shown, and detailed analysis has been presented. This study expands our knowledge of the dynamics of the hot carrier population in semiconductors, which can be applied to further limit energy loss in solar cells.

42 ENGINEERING↗
DOE OSTI2014

Experimental investigation of terahertz quantum cascade laser with variable barrier heights

We report an experimental study of terahertz quantum cascade lasers with variable barrier heights based on the Al{sub x}Ga{sub 1–x}As/GaAs material system. Two new designs are developed based on semiclassical ensemble Monte Carlo simulations using state-of-the-art Al{sub 0.15}Ga{sub 0.85}As/GaAs three-quantum-well resonant phonon depopulation active region design as a reference. The new designs achieved maximum lasing temperatures of 188 K and 172 K, as compared to the maximum lasing temperature of 191 K for the reference structure. These results demonstrate that terahertz quantum cascade laser designs with variable barrier heights provide a viable alternative to the traditional active region designs with fixed barrier composition. Additional design space offered by using variable barriers may lead to future improvements in the terahertz quantum cascade laser performance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Nonequilibrium phonon effects in midinfrared quantum cascade lasers

We investigate the effects of nonequilibrium phonon dynamics on the operation of a GaAs-based midinfrared quantum cascade laser over a range of temperatures (77–300 K) via a coupled ensemble Monte Carlo simulation of electron and optical-phonon systems. Nonequilibrium phonon effects are shown to be important below 200 K. At low temperatures, nonequilibrium phonons enhance injection selectivity and efficiency by drastically increasing the rate of interstage electron scattering from the lowest injector state to the next-stage upper lasing level via optical-phonon absorption. As a result, the current density and modal gain at a given field are higher and the threshold current density lower and considerably closer to experiment than results obtained with thermal phonons. By amplifying phonon absorption, nonequilibrium phonons also hinder electron energy relaxation and lead to elevated electronic temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Entropic penalties in circular DNA assembly

The thermodynamic properties of DNA circular molecules are investigated by a new path integral computational method which treats in the real space the fundamental forces stabilizing the molecule. The base pair and stacking contributions to the classical action are evaluated separately by simulating a broad ensemble of twisted conformations. We obtain, for two short sequences, a free energy landscape with multiple wells corresponding to the most convenient values of helical repeat. Our results point to a intrinsic flexibility of the circular structures in which the base pair fluctuations move the system from one well to the next thus causing the local unwinding of the helix. The latter is more pronounced in the shorter sequence whose cyclization causes a higher bending stress. The entropic reductions associated to the formation of the ordered helicoidal structure are estimated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Excellence of numerical differentiation method in calculating the coefficients of high temperature series expansion of the free energy and convergence problem of the expansion

In this paper, it is shown that the numerical differentiation method in performing the coupling parameter series expansion [S. Zhou, J. Chem. Phys. 125, 144518 (2006); AIP Adv. 1, 040703 (2011)] excels at calculating the coefficients a{sub i} of hard sphere high temperature series expansion (HS-HTSE) of the free energy. Both canonical ensemble and isothermal-isobaric ensemble Monte Carlo simulations for fluid interacting through a hard sphere attractive Yukawa (HSAY) potential with extremely short ranges and at very low temperatures are performed, and the resulting two sets of data of thermodynamic properties are in excellent agreement with each other, and well qualified to be used for assessing convergence of the HS-HTSE for the HSAY fluid. Results of valuation are that (i) by referring to the results of a hard sphere square well fluid [S. Zhou, J. Chem. Phys. 139, 124111 (2013)], it is found that existence of partial sum limit of the high temperature series expansion series and consistency between the limit value and the true solution depend on both the potential shapes and temperatures considered. (ii) For the extremely short range HSAY potential, the HS-HTSE coefficients a{sub i} falls rapidly with the order i, and the HS-HTSE converges from fourth order; however, it does not converge exactly to the true solution at reduced temperatures lower than 0.5, wherein difference between the partial sum limit of the HS-HTSE series and the simulation result tends to become more evident. Something worth mentioning is that before the convergence order is reached, the preceding truncation is always improved by the succeeding one, and the fourth- and higher-order truncations give the most dependable and qualitatively always correct thermodynamic results for the HSAY fluid even at low reduced temperatures to 0.25.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Influence of screening on longitudinal-optical phonon scattering in quantum cascade lasers

We theoretically investigate the influence of screening on electron-longitudinal optical phonon scattering in quantum cascade lasers. By employing ensemble Monte Carlo simulations, an advanced screening model based on the random-phase approximation is compared to the more elementary Thomas-Fermi and Debye models. For mid-infrared structures, and to a lesser extent also for terahertz designs, the inclusion of screening is shown to affect the simulated current and optical output power. Furthermore, it is demonstrated that by using the electron temperature rather than the lattice temperature, the Debye model can be significantly improved.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Extensions of a classical mechanics “piston-model” for understanding the impact of asymmetry on ICF implosions: The cases of mode 2, mode 2/1 coupling, time-dependent asymmetry, and the relationship to coast-time

As long suspected, low mode asymmetry in inertially confined fusion (ICF) implosions has been implicated as a performance limiting factor [Casey et al., “Evidence of three-dimensional asymmetries seeded by high-density carbon-ablator nonuniformity in experiments at the national ignition facility,” Phys. Rev. Lett. 126, 025002 (2021)]. Recently a non-linear, but solvable, theory [Hurricane et al., “An analytic asymmetric-piston model for the impact of mode-1 shell asymmetry on ICF implosions,” Phys. Plasmas 27, 062704 (2020)] based upon the simple picture of a pair of asymmetric pistons has generated new insights and provided some practical formulas for estimating the degradation of an implosion due to mode-1 asymmetry and demonstrated a previously unrecognized connection between measured hot-spot drift velocity, nuclear down-scatter ratio asymmetry, and the concept of residual kinetic energy (RKE). Asymmetry of the implosion “shell,” as opposed to asymmetry of the hot-spot, was key to the classical mechanics model because the majority of the kinetic energy in an implosion is carried by the shell. Herein, the two-piston model is extended to a six-piston model in order to capture mode-2 asymmetry and coupling between mode-1 and mode-2. A key result of this new six-piston model is that the weighted harmonic mean of shell areal density is the fundamental quantity that determines the RKE and performance degradations for a three-dimensional implosion. Agreement is found between the scalings coming from the theory and ICF implosion data from the National Ignition Facility and to large ensembles of detailed simulations. The connection between the piston model's dependence upon the radius of peak velocity and coast-time is also highlighted in this paper. Finally, by extending the two-piston model to include time-dependent “swing,” it is shown in the Appendix that the shell asymmetry at the time of stagnation dominates the solution for RKE.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Enhanced analysis of experimental x-ray spectra through deep learning

X-ray spectroscopic data from high-energy-density laser-produced plasmas has long required thorough, time-consuming analysis to extract meaningful source conditions. There are often confounding factors due to rapidly evolving states and finite spatial gradients (e.g., the existence of multi-temperature, multi-density, multi-ionization states, etc.) that make spectral measurements and analysis difficult. Here, in this paper, we demonstrate how deep learning can be applied to enhance x-ray spectral data analysis in both speed and intricacy. Neural networks (NNs) are trained on ensemble atomic physics simulations so that they can subsequently construct a model capable of extracting plasma parameters directly from experimental spectra. Through deep learning, the models can extract temperature distributions as opposed to single or dual temperature/density fits from standard trial-and-error atomic modeling at a significantly reduced computational cost compared to traditional trial-and-error methods. These NNs are envisioned to be deployed with high repetition rate x-ray spectrometers in order to provide detailed real-time analysis of experimental spectra.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Nonlinear Thomson scattering of a tightly focused relativistically intense laser pulse by an ensemble of particles

We report a study of the process of nonlinear Thomson scattering (NTS) of a tightly focused relativistically intense laser pulse by an ensemble of electrons simulating the result of ionisation of an ultrathin nanofoil. The description of all six components of a laser pulse is based on the Stratton – Chu integrals describing radiation focused by an off-axis parabolic mirror into a spot down to the diffraction limit, which is of practical interest for modern experiments with extreme-intensity lasers, including diagnostics of their parameters. The interaction of a laser pulse with electrons is simulated by the test-particle method, and the resulting trajectories are used to calculate the characteristics of secondary electromagnetic radiation. The effect of the laser-pulse focal spot diameter in the range λ – 6λ on the angular distributions of the radiated energy and NTS spectra, as well as of a laser-beam peak intensity of 10{sup 21} – 10{sup 22} W cm{sup −2} on the spectral width of the secondary radiation is studied in relation to the experimentally implemented focusing scheme using the example of a laser pulse with an initial homogeneous spatial distribution and a duration of ∼25 fs. (interaction of laser radiation with matter. laser plasma)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Learning to predict the cosmological structure formation

Matter evolved under the influence of gravity from minuscule density fluctuations. Nonperturbative structure formed hierarchically over all scales and developed non-Gaussian features in the Universe, known as the cosmic web. To fully understand the structure formation of the Universe is one of the holy grails of modern astrophysics. Astrophysicists survey large volumes of the Universe and use a large ensemble of computer simulations to compare with the observed data to extract the full information of our own Universe. However, to evolve billions of particles over billions of years, even with the simplest physics, is a daunting task. We build a deep neural network, the Deep Density Displacement Model ( D 3 M ), which learns from a set of prerun numerical simulations, to predict the nonlinear large-scale structure of the Universe with the Zel’dovich Approximation (ZA), an analytical approximation based on perturbation theory, as the input. Our extensive analysis demonstrates that D 3 M outperforms the second-order perturbation theory (2LPT), the commonly used fast-approximate simulation method, in predicting cosmic structure in the nonlinear regime. We also show that D 3 M is able to accurately extrapolate far beyond its training data and predict structure formation for significantly different cosmological parameters. Our study proves that deep learning is a practical and accurate alternative to approximate 3D simulations of the gravitational structure formation of the Universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Measuring the reduced shear

Neglecting the second order corrections in weak lensing measurements can lead to a few percent uncertainties on cosmic shears, and becomes more important for cluster lensing mass reconstructions. Existing methods which claim to measure the reduced shears are not necessarily accurate to the second order when a point spread function (PSF) is present. We show that the method of Zhang (2008) exactly measures the reduced shears at the second order level in the presence of PSF. A simple theorem is provided for further confirming our calculation, and for judging the accuracy of any shear measurement method at the second order based on its properties at the first order. The method of Zhang (2008) is well defined mathematically. It does not require assumptions on the morphologies of galaxies and the PSF. To reach a sub-percent level accuracy, the CCD pixel size is required to be not larger than 1/3 of the Full Width at Half Maximum (FWHM) of the PSF, regardless of whether the PSF has a power-law or exponential profile at large distances. Using a large ensemble (∼>10{sup 7}) of mock galaxies of unrestricted morphologies, we study the shear recovery accuracy under different noise conditions. We find that contaminations to the shear signals from the noise of background photons can be removed in a well defined way because they are not correlated with the source shapes. The residual shear measurement errors due to background noise are consistent with zero at the sub-percent level even when the amplitude of such noise reaches about 1/10 of the source flux within the half-light radius of the source. This limit can in principle be extended further with a larger galaxy ensemble in our simulations. On the other hand, the source Poisson noise remains to be a cause of systematic errors. For a sub-percent level accuracy, our method requires the amplitude of the source Poisson noise to be less than 1/80 ∼ 1/100 of the source flux within the half-light radius of the source, corresponding to collecting roughly 10{sup 4} source photons.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Planets in other universes: habitability constraints on density fluctuations and galactic structure

Motivated by the possibility that different versions of the laws of physics could be realized within other universes, this paper delineates the galactic structure parameters that allow for habitable planets and revisits constraints on the amplitude Q of the primordial density fluctuations. Previous work indicates that large values of Q lead to galaxies so dense that planetary orbits cannot survive long enough for life to develop. Small values of Q lead to delayed star formation, loosely bound galaxies, and compromised heavy element retention. This work generalizes previous treatments in the following directions: [A] We consider models for the internal structure of the galaxies, including a range of stellar densities, and find the fraction of the resulting galactic real estate that allows for stable, long-lived planetary orbits. [B] For high velocity encounters, we perform a large ensemble of numerical simulations to estimate cross sections for the disruption of planetary orbits due to interactions with passing stars. [C] We consider the background radiation fields produced by the galaxies: if a galaxy is too compact, the night sky seen from a potentially habitable planet can provide more power than the host star. [D] One consequence of intense galactic background radiation fields is that some portion of the galaxy, denoted as the Galactic Habitable Zone, will provide the right flux levels to support habitable planets for essentially any planetary orbit including freely floating bodies (but excluding close-in planets). As the value of Q increases, the fraction of stars in a galaxy that allow for (traditional) habitable planets decreases due to both orbital disruption and the intense background radiation. However, the outer parts of the galaxy always allow for habitable planets, so that the value of Q does not have a well-defined upper limit (due to scattering or radiation constraints). Moreover, some Galactic Habitable Zones are large enough to support more potentially habitable planets than the galaxies found in our universe. These results suggest that the possibilities for habitability in other universes are somewhat more favorable and far more diverse than previously imagined.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Shift in seasonal climate patterns likely to impact residential energy consumption in the United States

Abstract We develop a highly-resolved ensemble of climate simulations and empirical relationships between weather and household energy consumption to provide one of the most detailed estimates to date for potential climate-driven changes in the United States residential energy demand under the highest greenhouse gas emissions pathway. Our results indicate that more intense and prolonged warm conditions will drive an increase in electricity demand while a shorter and milder cold season will reduce natural gas demand by the mid 21st century. The environmental conditions that favor more cooling degree days in summer and reduced heating degree days in winter are driven by changes in daily maximum temperatures and daily minimum temperatures in the respective seasons. Our results also indicate that climate-driven change can potentially reverse impacts of a projected decrease in rural population on residential energy demand. These projected changes in climate-driven energy demand have implications for future energy planning and management.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗