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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

The Dependence on Grid Resolution of Numerically Simulated Convective Cloud Systems Using Ice Microphysics

Mesoscale research and forecast models are increasingly being used at horizontal resolutions of 1-8 km to simulate a variety of precipitating systems. When the model is used to simulate convective systems, it is uncertain to what extent the dynamics and microphysics of convective updrafts can be resolved with grids larger than 1 km. In this study, two- and three-dimensional versions of the Goddard Cumulus Ensemble model are used to determine the impact of horizontal grid resolution on the behavior of the simulated storms and on the characteristics of the cloud microphysical fields. It will be shown that as resolution decreases from about 1 km to greater than 3 km, there is a fairly rapid degradation of the storm structure in the form of reduced convective mass fluxes, updraft tilts, and cloud microphysics. A high-resolution simulation of hurricane outer rainbands using the MM5 mesoscale model shows also that there can be a substantial modification of the key microphysical processes that contribute to rainfall as a result of reducing the horizontal resolution.

Braun, Scott A.↗
NASA NTRS2022

Volcanic Stratospheric Injections up to 160 Tg(S) Yield a Eurasian Winter Warming Indistinguishable from Internal Variability

Early observational and modeling work suggested that low-latitude volcanic eruptions, comparable to the one of Pinatubo in 1991 or Krakatau in 1883, cause substantial surface warming over the northern continents at mid-latitudes in winter. The proposed mechanism consists of the formation of an anomalously strong Equator-to-pole temperature gradient in the stratosphere due to the presence of volcanic aerosols in the tropics, which are accompanied by an acceleration of the stratospheric polar vortex, which then shifts the Northern Annular Mode into a positive phase, resulting in warming surface temperatures over Eurasia. However, a large body of research in the past decade has shown that, for eruptions such as Pinatubo or Krakatau, no such warming is seen in simulations with more recent climate models which, in general, have much finer vertical and horizontal resolution than the early ones, and which have separated the forced response from the internal variability by using large ensembles of integrations. Since the proposed physical mechanism is sound, it is then possible that eruptions comparable to those of Pinatubo or Krakatau are simply too weak, but even larger ones might indeed be capable of causing Eurasian surface warming in winter. In this study, we explore this possibility using a state-of-the-art, stratosphere-resolving climate model, forced with prescribed aerosols from the Easy Volcanic Aerosol protocol. We consider eruptions with stratospheric sulfur injections of 5, 10, 20, 40, 80, and 160 Tg(S). With 20-member ensembles, we find that with injections of 20 Tg(S) or more – roughly twice the amplitude of the Pinatubo and Krakatau eruptions – our model simulates a winter surface warming over Eurasia, which is statistically significant with a t test given our 20-member ensembles. However, the forced volcanic signal on Eurasian winter surface temperatures is very small, barely exceeding the 1σ range of internal variability for the 160 Tg(S) injection case, and much smaller for smaller eruptions. Most importantly, the number of eruptions needed to establish statistical significance is considerably larger than the number of eruptions known to have occurred in the past 2000 years.

Volcanic eruptions↗
NASA NTRS1996

Studying Turbulence Using Numerical Simulation Databases: Proceedings of the 1996 Summer Program - Part 6

Topics considered include: New approach to turbulence modeling; Second moment closure analysis of the backstep flow database; Prediction of the backflow and recovery regions in the backward facing step at various Reynolds numbers; Turbulent flame propagation in partially premixed flames; Ensemble averaged dynamic modeling. Also included a study of the turbulence structures of wall-bounded shear flows; Simulation and modeling of the elliptic streamline flow.

Source record↗
NASA NTRS2020

An Examination of the Impact of Grid Spacing on WRF Simulations of Wintertime Precipitation in the Mid-Atlantic United States

A large set of deterministic and ensemble forecasts was produced to identify the optimal spacing for forecasting U.S. East Coast snowstorms. WRF forecasts were produced on cloud-allowing (~1-km grid spacing) and convection-allowing (3–4 km) grids, and compared against forecasts with parameterized convection (>~10 km). Performance diagrams were used to evaluate 19 deterministic forecasts from the winter of 2013–14. Ensemble forecasts of five disruptive snowstorms spanning the years 2015–18 were evaluated using various methods to evaluate probabilistic forecasts. While deterministic forecasts using cloud-allowing grids were not better than convection-allowing forecasts, both had lower bias and higher success ratios than forecasts with parameterized convection. All forecasts were underdispersive. Nevertheless, forecasts on the higher-resolution grids were more reliable than those with parameterized convection. Forecasts on the cloud-allowing grid were best able to discriminate areas that received heavy snow and those that did not, while the forecasts with parameterized convection were least able to do so. It is recommended to use convection-resolving and (if computationally possible) to use cloud-allowing forecast grids when predicting East Coast winter storms.

Snowstorms↗
DOE OSTI2025

Small-scale properties from exascale computations of turbulence on a $\mathbf{32\,768^3}$ periodic cube

To study the physics of small-scale properties of homogeneous isotropic turbulence at increasingly high Reynolds numbers, direct numerical simulation results have been obtained for forced isotropic turbulence at Taylor-scale Reynolds number R λ = 2500 on a 32 768 3 three-dimensional periodic domain using a GPU pseudo-spectral code on a 1.1 exaflop GPU supercomputer (Frontier). These simulations employ the multi-resolution independent simulation (MRIS) technique (Yeung & Ravikumar 2020, Phys. Rev. Fluids, vol. 5, 110517) where ensemble averaging is performed over multiple short segments initiated from velocity fields at modest resolution, and subsequently taken to higher resolution in both space and time. Reynolds numbers are increased by reducing the viscosity with the large-scale forcing parameters unchanged. Although MRIS segments at the highest resolution for each Reynolds number last for only a few Kolmogorov time scales, small-scale physics in the dissipation range is well captured – for instance, in the probability density functions and higher moments of the dissipation rate and enstrophy density, which appear to show monotonic trends persisting well beyond the Reynolds number range in prior works in the literature. Attainment of range of length and time scales consistent with classical scaling also reinforces the potential utility of the present high-resolution data for studies of short-time-scale turbulence physics at high Reynolds numbers where full-length simulations spanning many large-eddy time scales are still not accessible. A single snapshot of the 32 768 3 data is publicly available for further analyses via the Johns Hopkins Turbulence Database.

intermittency↗
DOE OSTI2025

Conformational free energy landscape of a glutamate transporter and microscopic details of its transport mechanism

Removing glutamate from the synaptic cleft is vital for proper function of the brain. Excitatory amino acid transporters mediate this process by uptaking the neurotransmitter from the synaptic cleft back to the cell after its release. The archaeal homolog, Glt Ph , an aspartate transporter fromPyrococcus horikoshii, presents the best structurally characterized model for this family of transporters. In order to transport, Glt Ph undergoes elevator-like conformational changes between inward-facing (IF) and outward-facing (OF) states. Here, we characterize, at an atomic level, the OF⇌IF transition of Glt Ph in differentapo/bound states using a combination of ensemble-based enhanced sampling techniques, employing more than two thousand of coupled simulation replicas of membrane-embedded Glt Ph . The resulting free-energy profiles portray the transition ofapo/bound states as a complex four-stage process, while sodium binding alone locks the structure in one of its states. Along the transition, the transport domain (TD) disengages from the scaffold domain (SD), allowing it to move as a piston sliding vertically with respect to the membrane during the elevator-like motion of TD. Lipid interactions with residues comprising the SD–TD interface directly influence the large-scale conformational changes and, consequently, the energetics of transport. Structural intermediates formed during the transition leak water molecules and may correlate to the uncoupled Cl − ion conductance observed experimentally in both prokaryotic and mammalian glutamate transporters. Mechanistic insights obtained from our study provide a structural framework for better development of therapeutic for neurological disorders.

Science & Technology - Other Topics↗
DOE OSTI2025

Quarterly Soil Core and Root Analyses from the Missouri Ozarks AmeriFlux (MOFLUX) Site, Ashland, Missouri, 2017-2023

This dataset contains quarterly soil core measurements from the Missouri Ozarks AmeriFlux (MOFLUX) site located at the University of Missouri’s Thomas H. Baskett Wildlife Research and Education Area near Ashland, Missouri. These data will be used to parameterize an ensemble of MOFLUX-optimized soil carbon-nitrogen models, used to simulate carbon (C) and nitrogen (N) cycling responses to future hydroclimatic scenarios and the trajectory of soil C stocks with concomitant forest decline. Beginning in 2017, eight soil cores were collected approximately quarterly near plot 1 of the southeast transect, near the automated soil respiration flux chambers, from 0–15 cm depth. Data are currently available through 2023 (2017-06-14 to 2023-11-13); additional observations will be appended to this dataset as they become available. Cores were analyzed for gravimetric moisture content, pH, total carbon and nitrogen, texture, microbial biomass carbon and nitrogen, and extractable dissolved organic carbon and nitrogen. This dataset contains one data file in comma separate (*.csv) format. Additional metadata are provided: one data dictionary and a file-level metadata file in comma separate (*.csv) format and a user guide in PDF (*.pdf) format.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2010

21st Century Trends in Antarctic Temperature and Polar Stratospheric Cloud (PSC) Area in the GEOS Chemistry-Climate Model

This study examines trends in Antarctic temperature and APSC, a temperature proxy for the area of polar stratospheric clouds, in an ensemble of Goddard Earth Observing System (GEOS) chemistry-climate model (CCM) simulations of the 21st century. A selection of greenhouse gas, ozone-depleting substance, and sea surface temperature scenarios is used to test the trend sensitivity to these parameters. One scenario is used to compare temperature trends in two versions of the GEOS CCM. An extended austral winter season is examined in detail. In May, June, and July, the expected future increase in CO2-related radiative cooling drives temperature trends in the Antarctic lower stratosphere. At 50 hPa, a 1.3 K cooling is expected between 2000 and 2100. Ozone levels increase, despite this robust cooling signal and the consequent increase in APSC, suggesting the enhancement of stratospheric transport in future. In the lower stratosphere, the choice of climate change scenarios does not affect the magnitude of the early winter cooling. Midwinter temperature trends are generally small. In October, APSC trends have the same sign as the prescribed halogen trends. That is, there are negative APSC trends in "grealistic future" simulations, where halogen loading decreases in accordance with the Montreal Protocol and CO2 continues to increase. In these simulations, the speed of ozone recovery is not influenced by either the choice of sea surface temperature and greenhouse gas scenarios or by the model version.

Hurwitz, M. M.↗
NASA NTRS2017

Towards a New Food System Assessment: AgMIP Coordinated Global and Regional Assessments of Climate Change

Agricultural stakeholders need more credible information on which to base adaptation and mitigation policy decisions. In order to provide this, we must improve the rigor of agricultural modelling. Ensemble approaches can be used to address scale issues and integrated teams can overcome disciplinary silos. The AgMIP Coordinated Global and Regional Assessments of Climate Change and Food Security (CGRA) has the goal to link agricultural systems models using common protocols and scenarios to significantly improve understanding of climate effects on crops, livestock and livelihoods across multiple scales. The AgMIP CGRA assessment brings together experts in climate, crop, livestock, economics, and food security to develop Protocols to guide the process throughout the assessment. Scenarios are designed to consistently combine elements of intertwined storylines of future society including, socioeconomic development, greenhouse gas concentrations, and specific pathways of agricultural sector development. Through these approaches, AgMIP partners around the world are providing an evidence base for their stakeholders as they make decisions and investments.

Ensembles↗
NASA NTRS2019

The Subseasonal Experiment (SubX): A Multi-Model Subseasonal Prediction Experiment

SubX is a multi-model subseasonal prediction experiment designed around operational requirements with the goal of improving subseasonal forecasts. Seven global models have produced seventeen years of retrospective (re-) forecasts and more than a year of weekly real-time forecasts. The re-forecasts and forecasts are archived at the Data Library of the International Research Institute for Climate and Society, Columbia University, providing a comprehensive database for research on subseasonal to seasonal predictability and predictions. The SubX models show skill for temperature and precipitation three weeks ahead of time in specific regions. The SubX multi-model ensemble mean is more skillful than any individual model overall. Skill in simulating the Madden-Julian Oscillation (MJO) and the North Atlantic Oscillation (NAO), two sources of subseasonal predictability, is also evaluated with skillful predictions of the MJO four weeks in advance and of the NAO 2 weeks in advance. SubX is also able to make useful contributions to operational forecast guidance at the Climate Prediction Center. Additionally, SubX provides information on the potential for extreme precipitation associated with tropical cyclones which can help emergency management and aid organizations to plan for disasters. (Capsule Summary) A research to operations project in service of developing better operational subseasonal forecasts.

Precipitation↗
NASA NTRSDate not supplied

Uncertainty Estimation for SMAP Level-1 Brightness Temperature Assimilation at Different Timescales

In this study, we assimilate Soil Moisture Active Passive (SMAP) mission brightness temperature (Tb) observations into NASA’s Catchment Land Surface Model using an Ensemble Kalman filter to update surface and root-zone soil moisture simulations. Different time series components of the Tb observations are assimilated including anomalies, inter-annual variations, and high-frequency variations. To optimize the weights that the data assimilation (DA) puts on the observations, the ratio between the un-certainties of modeled and observed Tb is approximated using modeled and observed soil moisture uncertainties estimated using triple collocation analysis. Results are compared to a benchmark experiment that mimics the operational SMAP Level-4 algorithm, which assimilates Tb observations using a spatially-constant 4 Kelvin (K) observation uncertainty. All DA experiments exhibit notable skill improvements in most regions. Improvements are greatest for the inter-annual variations in the simulations of both surface and root-zone soil moisture (mean improvements in terms of Pearson correlation (-) are 0.08 and 0.06, respectively). Anomaly simulations improve similarly (0.07), and improvements in the high-frequency variations are only observed for sur-face soil moisture simulations (0.06). Strikingly, however, no notable difference in skill—neither improvement nor deterioration—is observed between the experiments that use optimized observation uncertainty parameters and the 4 K benchmark experiment. We show, analytically, that this may be explained by the presence of large observation operator errors, which have the potential to render post-update uncertainty insensitive to inaccuracies in the Kalman gain.

Alexander Gruber↗
DOE OSTI2025

Sensitivity of an integrated experiment to uncertainty in the high explosive equations of state

Traditionally, hydrodynamics simulations are performed with a single equation-of-state (EOS) to describe each material. These EOSs typically have a physics-informed functional form with adjustable parameters that are calibrated in order to replicate small-scale data. However, because the calibration data have uncertainty and there are typically inherent degeneracies in fitting the EOS, there are actually multiple EOSs that might be consistent with calibration data. In this work, we perform uncertainty quantification (UQ) for the reactant and product equations of state for the high explosive PBX 9501 to yield an ensemble of EOSs that match the uncertain small-scale calibration data. We then simulate an experiment of an explosively formed penetrator repeatedly with different EOSs to both validate the UQ analysis and determine the effects of EOS uncertainty on the prediction of quantities of interest in the experiment. In general, we find good agreement between the simulation predictions and the experimental measurements, and we identify an EOS variable that contributes most directly to the spread in the predictions as the EOSs are varied.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Mechanisms of Diurnal Precipitation over the United States Great Plains: A Cloud-Resolving Model Simulation

The mechanisms of summertime diurnal precipitation in the US Great Plains were examined with the two-dimensional (2D) Goddard Cumulus Ensemble (GCE) cloud-resolving model (CRM). The model was constrained by the observed large-scale background state and surface flux derived from the Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Program s Intensive Observing Period (IOP) data at the Southern Great Plains (SGP). The model, when continuously-forced by realistic surface flux and large-scale advection, simulates reasonably well the temporal evolution of the observed rainfall episodes, particularly for the strongly forced precipitation events. However, the model exhibits a deficiency for the weakly forced events driven by diurnal convection. Additional tests were run with the GCE model in order to discriminate between the mechanisms that determine daytime and nighttime convection. In these tests, the model was constrained with the same repeating diurnal variation in the large-scale advection and/or surface flux. The results indicate that it is primarily the surface heat and moisture flux that is responsible for the development of deep convection in the afternoon, whereas the large-scale upward motion and associated moisture advection play an important role in preconditioning nocturnal convection. In the nighttime, high clouds are continuously built up through their interaction and feedback with long-wave radiation, eventually initiating deep convection from the boundary layer. Without these upper-level destabilization processes, the model tends to produce only daytime convection in response to boundary layer heating. This study suggests that the correct simulation of the diurnal variation in precipitation requires that the free-atmospheric destabilization mechanisms resolved in the CRM simulation must be adequately parameterized in current general circulation models (GCMs) many of which are overly sensitive to the parameterized boundary layer heating.

Lee, M.-I.↗
DOE OSTI2024

Adjusting the Energy Profile for CH–O Interactions Leads to Improved Stability of RNA Stem-Loop Structures in MD Simulations

The role of ribonucleic acid (RNA) in biology continues to grow, but insight into important aspects of RNA behavior is lacking, such as dynamic structural ensembles in different environments, how flexibility is coupled to function, and how function might be modulated by small molecule binding. In the case of proteins, much progress in these areas has been made by complementing experiments with atomistic simulations, but RNA simulation methods and force fields are less mature. It remains challenging to generate stable RNA simulations, even for small systems where well-defined, thermostable structures have been established by experiments. Further many different aspects of RNA energetics have been adjusted in force fields, seeking improvements that are transferable across a variety of RNA structural motifs. In this work, the role of weak CH···O interactions is explored, which are ubiquitous in RNA structure but have received less attention in RNA force field development. By comparing data extracted from high-resolution RNA crystal structures to energy profiles from quantum mechanics and force field calculations, it is shown that CH···O interactions are overly repulsive in the widely used Amber RNA force fields. A simple, targeted adjustment of CH···O repulsion that leaves the remainder of the force field unchanged was developed. Then, the standard and modified force fields were tested using molecular dynamics (MD) simulations with explicit water and salt, amassing over 300 μs of data for multiple RNA systems containing important features such as the presence of loops, base stacking interactions as well as canonical and noncanonical base pairing. In this work and others, standard force fields lead to reproducible unfolding of the NMR-based structures. Including a targeted CH···O adjustment in an otherwise identical protocol dramatically improves the outcome, leading to stable simulations for all RNA systems tested.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Heterogeneous energetic material damage simulator (HEDS): A deep learning approach to simulate damage–sensitivity linkages

Damage in the microstructures of energetic materials (EMs), such as propellants and plastic bonded explosives (PBXs), can significantly alter their response to external loads. Both sensitization and desensitization can occur, causing concerns with safety and performance in the field; predictive models that connect damage and the sensitivity of EMs can enable design and provide confidence in their robustness and reliability. However, modeling of damage evolution is challenging for real microstructures of EMs; samples of damaged EMs are difficult to obtain, thereby hindering experiments and direct numerical simulations to determine the sensitivity of EMs at various stages of damage. Here, we develop an approach to generate synthetic, i.e., in silico produced, damaged microstructures for use in simulations to connect damage levels to sensitivity. The development of the present workflow to generate and impose varying levels of damage in microstructures, known as HEDS (Heterogeneous Energetic Material Damage Simulator), begins with a small set of images of damaged PBXs and combines a collection of deep neural network techniques to generate microstructures with varying levels of damage. By making the synthetic microstructures conform closely to those observed in available real, imaged microstructures, we develop an ensemble of damaged microstructures that can be used for in silico shock experiments. HEDS develops these microstructure ensembles as level set fields, which are directly employed in a sharp interface Eulerian hydrocode where shock simulations are performed to quantify the energy release rate from hotspot fields generated in the microstructure. These capabilities can be useful for the analysis and assessment of changes in the sensitivity of EMs and to design formulations that are less susceptible to damage-induced changes in sensitivity and performance.

Fang, Irene (ORCID:0009000844557122)↗
NASA NTRS1998

Boreal Winter Predictions with the GEOS-2 GCM: The Role of Boundary Forcing and Initial Conditions

Ensembles of atmospheric General Circulation Model (GCM) seasonal forecasts and long-term simulations (1980-94) are analyzed to assess the controlling influences of boundary forcing and memory of the initial conditions. Both the forecasts and simulations are carried out with version 2 of the Goddard Earth Observing System (GEOS-2) GCM forced with observed sea surface temperatures (SSTs). While much of the focus is on the seasonal time scale (January- March) and the Pacific North American (PNA) region, we also present results for other regions, shorter time scales, and other known modes of variability in the northern hemisphere extratropics. Forecasts of indices of some of the key large-scale modes of variability show that there is considerable variability in skill between different regions of the Northern Hemisphere. The eastern North Atlantic region has the poorest long lead forecast skill showing no skill beyond about 10 days. Skillful seasonal forecasts are primarily confined to the wave-like ENSO response emanating from the tropical Pacific. In the Northern Hemisphere, this is associated with the well-known Pacific/North American (PNA) pattern. Memory of the initial conditions is the major factor leading to skillful extratropical forecasts of lead time less than one month, while SST forcing is the only factor at the seasonal time scale. SST forcing contributes to skillful forecasts at sub- seasonal time scales only over the PNA region. The GEOS-2 GCM produces average (1980-94) signal to noise ratios which are less than one everywhere in the extratropics, except for the subtropical Pacific where they approach 1.5. When confined to the ENSO years, the maximum signal to noise ratios occur in the PNA region where they exceed three. An assessment of the sampling distribution of the forecasts suggests the model's ENSO response is very likely too weak. These results show some sensitivity to the uncertainties in the estimates of the SST forcing fields. In the North Pacific region, the sensitivity to SST forcing manifests itself primarily as changes in the variability of the PNA response, underscoring the need for an ensemble approach to the seasonal prediction problem.

Chang, Yehui↗
NASA NTRS2020

Modelling climate change impacts on maize yields under low nitrogen input conditions in sub‐Saharan Africa

Smallholder farmers in sub‐Saharan Africa (SSA) currently grow rainfed maize with limited inputs including fertilizer. Climate change may exacerbate current production constraints. Crop models can help quantify the potential impact of climate change on maize yields, but a comprehensive multimodel assessment of simulation accuracy and uncertainty in these low‐input systems is currently lacking. We evaluated the impact of varying [CO2], temperature and rainfall conditions on maize yield, for different nitrogen (N) inputs (0, 80, 160 kg N/ha) for five environments in SSA, including cool subhumid Ethiopia, cool semi‐arid Rwanda, hot subhumid Ghana and hot semi‐arid Mali and Benin using an ensemble of 25 maize models. Models were calibrated with measured grain yield, plant biomass, plant N, leaf area index, harvest index and in‐season soil water content from 2‐year experiments in each country to assess their ability to simulate observed yield. Simulated responses to climate change factors were explored and compared between models. Calibrated models reproduced measured grain yield variations well with average relative root mean square error of 26%, although uncertainty in model prediction was substantial (CV = 28%). Model ensembles gave greater accuracy than any model taken at random. Nitrogen fertilization controlled the response to variations in [CO2], temperature and rainfall. Without N fertilizer input, maize (i) benefited less from an increase in atmospheric [CO2], (ii) was less affected by higher temperature or decreasing rainfall and (iii) was more affected by increased rainfall because N leaching was more critical. The model inter-comparison revealed that simulation of daily soil N supply and N leaching plays a crucial role in simulating climate change impacts for low-input systems. Climate change and N input interactions have strong implications for the design of robust adaptation practices across SSA, because the impact of climate change will be modified if farmers intensify maize production with more mineral fertilizer.

Crop simulation model↗
NASA NTRS1976

MHD solution of interplanetary disturbances generated by simulated velocity perturbations

An MHD time-dependent numerical simulation, restricted to the solar equatorial plane, is used to demonstrate the interplanetary disturbances caused by several simplified coronal holes. Each 'hole' is assumed to have a configuration such that the higher solar wind velocity produced within their longitudinal extent is Gaussian over a 7-day period at the inner boundary (0.3 AU) of the numerical simulation. A second, twin coronal hole is assumed to rotate on the solar disk behind its predecessor. It is shown that the first coronal hole-produced interplanetary shock ensemble is overtaken by the second ensemble because of the higher velocity, lower density environment into which the latter propagates. A number of features predicted by MHD similarity theory are confirmed by the numerical simulation. These features include (1) strong azimuthal magnetic and plasma density compression, accompanied with average temperature depression, at the contact surface between forward and reverse shock ensembles, and (2) increasing spatial separation distance between forward and reverse shocks.

Dryer, M.↗