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At least 253 records · Page 14

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DOE OSTI2017

Probing of Zγγ production sensitivity to anomalous quartic gauge couplings at LHC experiments with √ s =13 TeV

Sensitivity to anomalous ZZγγ and Zγγγ couplings in Zγγ production was probed for the ATLAS experiment at Large Hadron Collider. Zγγ process with anomalous couplings simulation in ppcollisions with √ s = 13 TeV was performed using VBFNLO MC generator. The expected limits on the Effective Field Theory parameters f{sub T0}/Λ4, f{sub T5}/Λ4, f{sub T9}/Λ4, f{sub M2}/Λ4, f{sub M3}/Λ4 were extracted for 5 fb{sup −1} integral luminosity using the distribution on the invariant mass of Zγγ from the combination of charged leptonic decay channels of Z boson (Zγγ → μ{sup +}μ{sup −}γγ and Zγγ → e{sup +}e{sup −}γγ).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Functionally Assembled Terrestrial Ecosystem Simulator (FATES) for Hurricane Disturbance and Recovery

Tropical cyclones are an important cause of forest disturbance, and major storms caused severe structural damage and elevated tree mortality in coastal tropical forests. Model capabilities that can be used to understand post-hurricane forest recovery are still limited. We use a vegetation demography model, the Functionally Assembled Terrestrial Ecosystem Simulator, coupled with the Energy Exascale Earth System Model Land Model (ELM-FATES) to study the processes and the key factors regulating post-hurricane forest recovery. We implemented hurricane-induced forest damage, including defoliation, structural biomass reduction, and tree mortality, performed ensemble model simulations, and used random forest feature importance. For the simulation in the Luquillo Experimental Forest, Puerto Rico, we identified factors controlling the post-hurricane forest recovery, and quantified the sensitivity of key model parameters to the post-hurricane forest recovery. The results indicate a tendency for the Bisley forests to shift toward the light demanding plant functional type (PFT) when the pre-hurricane biomass between the light demanding and shade tolerant PFTs is nearly equal and forests experience hurricane disturbance with mortality >60% for both the two PFTs. Under more realistic conditions where the shade tolerant PFT is initially dominant, mortality >80% is required for a shift toward dominance of the light demanding PFT at Bisley. Hurricane mortality and background mortality are the two major factors regulating post-hurricane forest recovery in simulations. This research improves understanding of the ELM-FATES model behavior associated with hurricane disturbance and provides guidance for dynamic vegetation model development in representing hurricane induced forest damage with varied intensities.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Interpretation of proton radiography experiments of hohlraums with three-dimensional simulations [Interpretation of proton radiography experiments of hohlraums with 3D simulations]

Proton radiography experiments of laser-irradiated hohlraums performed at the OMEGA laser facility are analyzed using three-dimensional (3D) hydrodynamic simulations coupled to a proton trajectography package. Experiments with three different laser irradiation patterns were performed, and each produced a distinct proton image. By comparing these results with synthetic proton images obtained by sending protons through plasma profiles in the hohlraum obtained from 3D radiation hydrodynamic simulations, it is found that the simulated images agree favorably with the experimental images when electric fields, due to the electron pressure gradients that arise from 3D structures occurring during plasma expansion, are included. Furthermore, these comparisons provide quantitative estimates of the electric field present inside the hohlraums.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

T2Well-ECO2NV2 v1.0 beta

T2Well-ECO2NV2 combines the T2Well code for simulating coupled well-reservoir fluid and heat flow with the ECO2N Version 2.0 equation of state module for calculating the fluid properties of water-CO2-salt mixtures at high temperatures. The combination of these two capabilities in T2Well-ECO2NV2 creates the capability of simulating injection and withdrawal of fluids in high-Temperature geothermal or geologic carbon sequestration systems. While the previously released T2Well-ECO2N Version 1.0 was useful for geologic carbon sequestration, the new T2Well-ECO2NV2 has capabilities for higher temperature and thereby allows the simulation of CO2-rich geothermal systems.

Oldenburg, CurtisM↗

DOE OSTI2021

Multiphysics coupling in the Exascale computing project

Multiphysics coupling presents a significant challenge in terms of both computational accuracy and performance. Achieving high performance on coupled simulations can be particularly challenging in a high-performance computing context. The US Department of Energy Exascale Computing Project has the mission to prepare mission-relevant applications for the delivery of the exascale computers starting in 2023. Many of these applications require multiphysics coupling, and the implementations must be performant on exascale hardware. In this special issue we feature six articles performing advanced multiphysics coupling that span the computational science domains in the Exascale Computing Project.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Interpretation of proton radiography experiments of hohlraums with three-dimensional simulations

Proton radiography experiments of laser-irradiated hohlraums performed at the OMEGA laser facility are analyzed using three-dimensional (3D) hydrodynamic simulations coupled to a proton trajectography package. Experiments with three different laser irradiation patterns were performed, and each produced a distinct proton image. By comparing these results with synthetic proton images obtained by sending protons through plasma profiles in the hohlraum obtained from 3D radiation hydrodynamic simulations, it is found that the simulated images agree favorably with the experimental images when electric fields, due to the electron pressure gradients that arise from 3D structures occurring during plasma expansion, are included. These comparisons provide quantitative estimates of the electric field present inside the hohlraums

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Are turbulence effects on droplet collision–coalescence a key to understanding observed rain formation in clouds?

Rain formation is a critical factor governing the lifecycle and radiative forcing of clouds and therefore it is a key element of weather and climate. Cloud microphysics–turbulence interactions occur across a wide range of scales and are challenging to represent in atmospheric models with limited resolution. Based on past experiments and idealized numerical simulations, it has been postulated that cloud turbulence accelerates rain formation by enhancing drop collision–coalescence. We provide substantial evidence for significant impacts of turbulence on the evolution of cloud droplet size distributions and rain formation by comparing high-resolution observations of cumulus congestus clouds with state-of-the-art large-eddy simulations coupled with a Lagrangian particle-based microphysics scheme. Turbulent coalescence must be included in the model to accurately represent the observed drop size distributions, especially for drizzle drop sizes at lower heights in the cloud. Turbulence causes earlier rain formation and greater rain accumulation compared to simulations with gravitational coalescence only. The observed rain size distribution tail just above cloud base follows a power law scaling that deviates from theoretical scalings considering either a purely gravitation collision kernel or a turbulent kernel neglecting droplet inertial effects, providing additional evidence for turbulent coalescence in clouds. In contrast, large aerosols acting as cloud condensation nuclei (“giant CCN”) do not significantly impact rain formation owing to their long timescale to reach equilibrium wet size relative to the lifetime of rising cumulus thermals. Overall, turbulent drop coalescence exerts a dominant influence on rain initiation in warm cumulus clouds, with limited impacts of giant CCN.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1991

An efficient solution technique for shockwave-boundary layer interactions with flow separation and slot suction effects

An efficient method for computing two-dimensional compressible Navier-Stokes flow fields is presented. The solution algorithm is a fully-implicit approximate factorization technique based on an unsymmetric line Gauss-Seidel splitting of the equation system Jacobian matrix. Convergence characteristics are improved by the addition of acceleration techniques based on Shamanskii's method for nonlinear equations and Broyden's quasi-Newton update. Characteristic-based differencing of the equations is provided by means of Van Leer's flux vector splitting. In this investigation, emphasis is placed on the fast and accurate computation of shock-wave-boundary layer interactions with and without slot suction effects. In the latter context, a set of numerical boundary conditions for simulating the transpiration flow in an open slot is devised. Both laminar and turbulent cases are considered, with turbulent closure provided by a modified Cebeci-Smith algebraic model. Comparisons with computational and experimental data sets are presented for a variety of interactions, and a fully-coupled simulation of a plenum chamber/inlet flowfield with shock interaction and suction is also shown and discussed.

Edwards, Jack R.↗

DOE OSTI2022

Relative Controls of Vapor Pressure Deficit and Soil Water Stress on Canopy Conductance in Global Simulations by an Earth System Model

Climate change impacts drought and vapor pressure deficit (VPD) that critically influence land-atmosphere water vapor and CO 2 exchange. There is a lack of model-based global evaluation of the relative roles of the two types of water stresses in limiting canopy conductance (G c ). Using the Energy Exascale Earth System Model (E3SM), we conducted four land-atmosphere coupled simulations for the historical period with and without a plant hydraulics scheme (PHS) and under present-day and quadrupling of CO 2 concentrations. By fitting an empirical model of G c to the E3SM simulations, we evaluated the sensitivity of G c to water stresses caused by VPD and soil water (SW) in the growing season. The empirical model is based on a multiplicative algorithm that adjusts G c according to VPD, soil water saturation, and their interaction. Our results show positive trends of VPD over land during the historical period, with large differences between simulations with and without PHS. Despite the differences, a majority of land pixels that experience both SW and VPD stresses are in semi-arid and tropical savanna ecosystems. G c is more sensitive to VPD than SW in less than 20% of land pixels where the empirical model provides a good fit for the simulated G c . Ignoring SW and VPD interaction may underestimate the relative role of VPD on G c by as much as 28%. Including PHS accentuates SW stress limitation on G c by simulating wetter soil and higher ET that lower VPD. Elevated CO 2 reduces G c by increasing water use efficiency and ameliorates SW stress on G c .

54 ENVIRONMENTAL SCIENCES↗

NASA NTRSDate not supplied

High-Fidelity Simulations of HyMETS Arc-Jet Flows for PICA-N Modeling

Arc-jet testing is a fundamental tool in the screening of thermal protection systems under atmospheric entry conditions. In this work, high-fidelity computational fluid dynamics simulations coupled with machine learning methods for the Hypersonic Materials Environmental Test System arc-jet facility have been carried out. This effort improves the MEDLI-2 data reconstruction fidelity by understanding the impact of the NuSil coating over the PICA thermocouple plugs. Thermochemical non-equilibrium models are employed to simulate the flows inside the arc-jet nozzle and chamber and machine learning techniques are used to calibrate the arc-jet inflow conditions. The material response is simulated with the recession and in-depth numerical results compared to experimental measurements.

STMD↗

DOE OSTI2025

Solvation directed morphological control in metal oxide nanostructures

The development of structural hierarchy on various length scales during the crystallization process is ubiquitous in biological systems and minerals and is common in synthetic nanomaterials. The driving forces for the formation of complex architectures range from local interfacial interactions, that modify interfacial speciation, local supersaturation, and nucleation barriers, to macroscopic interparticle forces. Although it is enticing to interpret the formation of hierarchical architectures as the assembly of independently nucleated building blocks, crystallization pathways often follow monomer-by-monomer addition with structural complexity arising from interfacial chemical coupling and strongly correlated fluctuation dynamics in the electric double layers. Here, we show that the development of structural hierarchy through heterogeneous nucleation is driven by dipolar and solvation forces. Specifically, coupled simulations and experimental studies revealed that dipole build-up along the slow growth direction can trigger twinning and the development of branched architectures. Enthalpic solvation interactions were shown to either enhance or reduce the dipole moment of the nanoparticles and, thereby, control crystal morphology and architecture. The systematic studies of chemical coupling between different solvents and undercoordinated surface atoms of the growing nanocrystals revealed the mechanism of dimensionality control and the development of structural hierarchy without ligands or structure-directing agents.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2021

Winter precipitation changes in California under global warming: Contributions of CO2, uniform SST warming, and SST change patterns

Climate models project a wetting winter over California, distinct from the drying in all other Mediterranean climate regions under warming. Dynamic effect via an eastward extension of the westerly jet stream over the North Pacific is the root cause for the wetting California. Utilizing four sets of prescribed-SST (sea surface temperature) simulations, the relative effects of direct CO2 radiative forcing, uniform SST warming, and SST change pattern are investigated. The wetting winter is dominated by uniform SST warming mainly through its effect on the jet extension. As a fundamental response to the enhanced upper-tropospheric warming in the tropics, the jet extension in coupled simulations is well reproduced under uniform SST warming and robust among models. An El Niño-like SST warming pattern has a secondary contribution to the jet extension via atmospheric teleconnection, but with large inter-model spread. Relative to the SST forcing, the direct CO2 radiative effect is negligible.

Dong, Lu↗

NASA NTRS2013

Orion MPCV Touchdown Detection Threshold Development and Testing

A robust method of detecting Orion Multi-Purpose Crew Vehicle (MPCV) splashdown is necessary to ensure crew and hardware safety during descent and after touchdown. The proposed method uses a triple redundant system to inhibit Reaction Control System (RCS) thruster firings, detach parachute risers from the vehicle, and transition to the post-landing segment of the Flight Software (FSW). An in-depth trade study was completed to determine optimal characteristics of the touchdown detection method resulting in an algorithm monitoring filtered, lever-arm corrected, 200 Hz Inertial Measurement Unit (IMU) vehicle acceleration magnitude data against a tunable threshold using persistence counter logic. Following the design of the algorithm, high fidelity environment and vehicle simulations, coupled with the actual vehicle FSW, were used to tune the acceleration threshold and persistence counter value to result in adequate performance in detecting touchdown and sufficient safety margin against early detection while descending under parachutes. An analytical approach including Kriging and adaptive sampling allowed for a sufficient number of finite element analysis (FEA) impact simulations to be completed using minimal computation time. The combination of a persistence counter of 10 and an acceleration threshold of approximately 57.3 ft/s2 resulted in an impact performance factor of safety (FOS) of 1.0 and a safety FOS of approximately 2.6 for touchdown declaration. An RCS termination acceleration threshold of approximately 53.1 ft/s(exp)2 with a persistence counter of 10 resulted in an increased impact performance FOS of 1.2 at the expense of a lowered under-parachutes safety factor of 2.2. The resulting tuned algorithm was then tested on data from eight Capsule Parachute Assembly System (CPAS) flight tests, showing an experimental minimum safety FOS of 6.1. The formulated touchdown detection algorithm will be flown on the Orion MPCV FSW during the Exploration Flight Test 1 (EFT-1) mission in the second half of 2014.

Daum, Jared↗

DOE OSTI2025

Kinetics and Thermodynamics of Sr Permeation in CeO 2 -Based Barrier Layers for Solid-Oxide Electrolyzer Cells

Solid-oxide electrolyzer cells (SOECs) convert steam to hydrogen efficiently at high temperatures. However, during operation, the diffusion of cations or impurities through the cells due to electrode degradation can cause unwanted secondary phases to form, which may degrade device performance. Here, in this study, we use atomistic and mesoscale simulations coupled with experimental analysis to study the diffusion of Sr through the Gd-doped CeO 2 (GDC) barrier layer used to protect the yttria-stabilized zirconia (YSZ) electrolyte in SOECs. From our atomistic calculations, we find Sr diffusion to be negligibly slow in bulk GDC; however, surface diffusion is much more favorable. Subsequent mesoscale simulations show that Sr diffusion is activated when the porosity of GDC exceeds ∼10% and significantly exceeds diffusion in bulk and grain boundary regions. We also find that SrO-based species can accumulate at GDC surfaces; however, SrO aggregation and coarsening will be limited by the large lattice mismatch between GDC and SrO. Energy-dispersive X-ray spectroscopy (EDS) and electron diffraction confirm that Sr can accumulate within GDC pores and form disperse Sr-containing secondary phases. Altogether, Sr diffusion in dense GDC is unlikely to give rise to thick SrO layers, which would severely limit device performance. The formation of Sr-containing secondary phases can largely be avoided by restricting the porosity of the GDC layer as much as possible.

36 MATERIALS SCIENCE↗

DOE OSTI2018

DECOVALEX-2015: an international collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems

Here, an important part of the performance and safety assessment of disposal systems for radioactive waste and spent nuclear fuel in deep geological formations is to evaluate the impact of the coupled effects of mechanical deformation, fluid and gas flow through the repository, and thermal loading from the decaying waste. It was recognized early on in safety and performance assessments conducted for geologic disposal sites that to be able to conduct such an evaluation, there was a need to rigorously enhance the theoretical background and to develop models capable of simulating coupled thermo-hydro-mechanical (THM) processes. More recently, chemical processes have also been added to enable the study of fully coupled THMC processes in geosystems.

58 GEOSCIENCES↗

DOE OSTI2021

Incorporating point defect generation due to jog formation into the vector density-based continuum dislocation dynamics approach

During plastic deformation of crystalline materials, point defects such as vacancies and interstitials are generated by jogs on moving dislocations. A detailed model for jog formation and transport during plastic deformation was developed within the vector density-based continuum dislocation dynamics framework. Here as a part of this model, point defect generation associated with jog transport was formulated in terms of the volume change due to the non-conservative motion of jogs. Balance equations for the vacancies and interstitials including their rate of generation due to jog transport were also formulated. A two-way coupling between point defects and dislocation dynamics was then completed by including the stress contributed by the eigen-strain of point defects. A jog drag stress was further introduced into the mobility law of dislocations to account for the energy dissipation during point defects generation. A number of test problems and a fully coupled simulation of dislocation dynamics and point defects generation and diffusion were performed. The results show that there is an asymmetry of vacancy and interstitial generation due to the different formation energies of the two types of defects. The results also show that a higher hardening rate and a higher dislocation density are obtained when the point defect generation mechanism is coupled to dislocation dynamics.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Assessing the Impact of a Novel TBC Material on Heat Transfer in a Spark Ignition Engine through 3D CFD-FEA Co-Simulation Routine

Thermal barrier coatings (TBCs) have been of interest since the 1970s for application in internal combustion (IC) engines. Thin TBCs exhibit a temperature swing phenomenon wherein wall temperatures dynamically respond to the transient working-gas temperature throughout the engine cycle, thus reducing the temperature difference driving the heat transfer. Determining these varying wall temperatures is necessary to evaluate and study the effect of coatings on wall heat transfer. This study focuses on developing a 3D computational fluid dynamics (CFD)-finite element analysis (FEA) coupled simulation, or co-simulation, routine to determine the wall temperatures of a piston coated with a thin TBC layer subject to spark ignition combustion heat flux. A CONVERGE 3D-CFD model was used to simulate the combustion process in a single-cylinder, light-duty experimental spark ignition (SI) engine. Transient piston heat transfer analysis was conducted using ABAQUS, a FEA package, under the simulated combustion heat flux load. The effect of the temperature swing phenomenon due to this TBC layer was observed in a CFD simulation by implementing the FEA results as the piston thermal boundary conditions. The boundary conditions were passed between the CFD and FEA tools until a quasi-steady state solution was achieved. Furthermore, a reduction in wall heat transfer was observed due to a reduced temperature difference between the wall and the working gas.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2019

Effect of interface recombination on the efficiency of intracavity double diode structures

In the past ten years, there has been significant progress in solid-state optical refrigeration, causing a renewed interest in the possibility of electroluminescent cooling (ELC) in light emitting diodes (LEDs). More recently, our work on III-As based intracavity double diode structures (DDSs) indicates that the threshold for ELC can be reached, in practice, at high powers and 300 K if certain non-radiative recombination mechanisms and photodetector (PD) losses are minimized. The studied DDSs consist of a LED, incorporating a high-quality GaAs active layer, optically coupled to a GaAs p–n homojunction PD. Both the LED and PD are integrated in a single device, offering a unique environment for studying ELC. In this paper, we provide a brief overview of the DDS characteristics and investigate the impact of non-radiative interface recombination on the LED, showing how the choice of the barrier layer materials can suppress this effect. We use experimental characterization techniques to calibrate numerical simulations, coupling the drift-diffusion model for charge transport to a photon transport model. To explore the interface effects, we compare DDSs with either GaInP/GaAs or AlGaAs/GaAs double heterojunctions. The results suggest that GaInP barriers allow interface recombination suppression that is sufficient to reach internal cooling in the LED.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗