Search NASA⌕ Search

SEARCH · Search NASA

Results for “Coupled simulation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Considering coasts: Adapting terrestrial models to characterize coastal wetland ecosystems

The Energy Exascale Earth System Model (E3SM) simulates fully coupled processes and interactions among water, energy, carbon and nutrient cycles. E3SM connects vegetation and soil dynamics through nutrient uptake, plant production, litterfall and decomposition as a function of abiotic parameters (e.g. temperature and moisture). However, E3SM is designed to characterize terrestrial ecosystems and connects land and open ocean systems using a single streamflow transport term, ignoring the complex dynamics of energy, water, carbon, and nutrients in coastal systems. The goals of our project were to: (1) Parameterize a point version of E3SM to capture coastal wetland habitats and (2) Determine marsh community responses to increased temperature and elevated CO 2 . We adapted a version of the E3SM land model, previously configured to represent forested bog hydrology to a coastal ecosystem using datasets from field experiments conducted at the Smithsonian Environmental Research Center's Global Change Research Wetland (GCReW). Tidal forcing in a marsh environment was simulated using a two-column system in which the columns are connected by lateral hydrologic flows. One column simulates interactions between vegetation and soil while a second column simulates variation in water level (both tidal and sea level rise). The updated model captures many aspects of the field experiments, showing that plant community responses to environmental change are non-linear, non-additive and different between plant types. Elevated CO 2 treatments increased C 3 plant biomass more than C 4 (33% vs 17%). Temperature exacerbated CO 2 responses in C 3 plants (0 °C: 26%, 5.1 °C: 56%). We were more successful at characterizing C 3 than C 4 responses and simulating above rather than belowground biomass production. Furthermore, the next steps will include updates to key physiological parameters such as root:shoot carbon allocation and the addition of mechanistic feedbacks between vegetation and biogeochemical processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Coupling of nTRACER to COBRA-TF for full core high-fidelity analysis of VVERs

The evolution of computing clusters allows the use of high-resolution multi-physics solvers for reactor analysis. Despite the continuous expansion of VVER technology, only one other high-fidelity sub-pin multi-physics core solver is currently developed for safety analysis. To that end the Laboratory of Reactor Physics and Thermal-Hydraulics (LRT) of Paul Scherrer Institut is developing such a tool with the coupling of the neutronic code nTRACER and the sub-channel code COBRA-TF. This work follows the initial steps of the coupling and focuses to the extension of the core solver to full core VVER geometries. The X2 VVER-1000 benchmark is modeled with the novel core solver. The results are compared to the ones of a standalone nTRACER calculation where the feedbacks are provided by a simplified 1D thermal-hydraulic solver. Despite relatively good agreement in power distribution, the limitations of the simplified solver become apparent especially when comparing global temperature profiles. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Center for Plasma Edge Simulation (CPES) (Rutgers University Final Report)

The CPES scientific simulations run at scale on leadership class machines, collaborate at runtime and produce and exchange large data sizes, which present multiple I/O and data management challenges. During the CPES project, the Rutgers team worked with the rest of the CPES team to address these challenges at different levels, and specifically (1) at the data transport and communication level through the DART (Decoupled and Asynchronous Remote Data Transfers) framework, and (2) at the data management and services level through the DataSpaces and ActiveSpaces frameworks. These frameworks and their impact are briefly described.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Coupled elasticity, plastic slip, and twinning in single crystal titanium loaded by split-Hopkinson pressure bar

Here coupled elasticity, plastic slip, and twinning in high-purity single crystal titanium loaded by split-Hopkinson pressure bar (SHPB) are investigated, in the framework of large deformation and by utilizing the finite element method (FEM). A thermodynamically consistent system of equations for combined plastic slip and twinning is formulated. Novel kinematics is proposed to develop the driving forces for slip and twinning processes and to consider plastic slip in twins. Dislocation based crystal plasticity is proposed, with an emphasis on the interactions among all slip modes in multi-variant/multiphase heterogeneous materials. A mechanism for dislocation density evolution during twinning is proposed. The impact loading along the [0001] and [1$0\bar{1}$1] directions of single crystal high purity titanium is investigated. The evolution of stress-strain field, dislocation density, and volume fraction for each variant in the sample during the entire loading process are obtained and discussed in detail. Results in simulations show that for the [0001] specimen due to the existence of six symmetry primary twin variants with respect to the loading direction and fifteen different slip systems in each variant, the fields of stress and dislocation density are very homogenous in the sample. The simulation results are compared with experimental data for the [0001] and [1$0\bar{1}$1] specimens. The experimental results are explained and interpreted for both specimens, which include the pole figures, the stress-strain curves, and volume fraction of variants. The simulation results provide an important insight into mechanical responses of high-purity single crystal titanium under high rate loading, and this paper advances the mesoscale modeling and simulations in coupled plastic slip and twinning.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ultra-High Gradient Channeling Acceleration in Nanostructures: Design/Progress of Proof-of-Concept (POC) Experiments

A short bunch of relativistic particles or a short-pulse laser perturbs the density state of conduction electrons in a solid crystal and excites wakefields along atomic lattices in a crystal. Under a coupling condition the wakes, if excited, can accelerate channeling particles with TeV/m acceleration gradients in principle since the density of charge carriers (conduction electrons) in solids n 0 = ~ 10 20 – 10 23 cm -3 is significantly higher than what can be obtained in gaseous plasma. Nanostructures have some advantages over crystals for channeling applications of high power beams. The dechanneling rate can be reduced and the beam acceptance increased by the large size of the channels. For beam-driven acceleration, a bunch length with a sufficient charge density would need to be in the range of the plasma wavelength to properly excite plasma wakefields, and channeled particle acceleration with the wakefields must occur before the ions in the lattices move beyond the restoring threshold. In the case of the excitation by short laser pulses, the dephasing length is appreciably increased with the larger channel, which enables channeled particles to gain sufficient amounts of energy. This paper describes simulation analyses on beam- and laser (X-ray)-driven accelerations in effective nanotube models obtained from Vsim and EPOCH codes. Experimental setups to detect wakefields are also outlined with accelerator facilities at Fermilab and NIU. In the FAST facility, the electron beamline was successfully commissioned at 50 MeV and it is being upgraded toward higher energies for electron accelerator R&D. The 50 MeV injector beamline of the facility is used for X-ray crystal-channeling radiation with a diamond target. It has been proposed to utilize the same diamond crystal for a channeling acceleration POC test. Another POC experiment is also designed for the NIU accelerator lab with time-resolved electron diffraction. Recently, a stable generation of single-cycle laser pulses with tens of Petawatt power based on thin film compression (TFC) technique has been investigated for target normal sheath acceleration (TNSA) and radiation pressure acceleration (RPA). The experimental plan with a nanometer foil is discussed with an available test facility such as Extreme Light Infrastructure – Nuclear Physics (ELI-NP).

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Control systems for a dynamic multi-physics model of a Nuclear Hybrid Energy System - 198

A Nuclear Hybrid Energy System (NHES) uses a nuclear reactor as the basic power generation unit, and the power generated is used by multiple customers as combinations of thermal power or electrical power. The definition and architecture of a particular NHES can be adapted based on the needs and opportunities of different localities and markets. For example, locations in need of potable water may be best served by coupling a desalination plant to the NHES. Similarly, a location near oil refineries may have a need for emission-free hydrogen production. Using the flexible, multi-domain capabilities of Modelica, Argonne National Laboratory, Idaho National Laboratory, and Oak Ridge National Laboratory are investigating the dynamics (e.g., thermal hydraulics and electrical generation/consumption) and cost of a hybrid system. This paper examines the NHES work underway, emphasizing the control system developed for individual subsystems and the overall supervisory control system. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Vlasov-Fokker-Planck modeling of magnetized plasma

Understanding the magnetic fields that can develop in high-power-laser interactions with solid-density plasma is important because such fields significantly modify both the magnitude and direction of electron heat fluxes. The dynamics of such fields evidently have consequences for inertial fusion energy applications, as the coupling of the laser beams with the walls or pellet and the development of temperature inhomogeneities are critical to the uniformity of the implosion and potentially the success of, for example, the National Ignition Facility. To study these effects, we used the code Impacta, a two-dimensional, fully implicit, Vlasov-Fokker-Planck code with self-consistent magnetic fields and a hydrodynamic ion model, designed for nanosecond time-scale laser-plasma interactions. Heat-flux effects in Ohm’s law under non-local conditions was investigated; physics that is not well captured by standard numerical models but is nevertheless important in fusion-related scenarios. Under such conditions there are numerous interesting physical effects, such as collisional magnetic instabilities, amplification of magnetic fields, re-emergence of non-locality through magnetic convection, and reconnection of magnetic field lines and redistribution of thermal energy. In this project highlights included the first full-scale kinetic simulations of a magnetized hohlraum and the discovery of a new magnetic reconnection mechanism, as well as a completed PhD thesis and the production of a new code for Inertial Fusion research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Magnetic and Elastic Vibrations in Manganese–Zinc Spinel Crystals as the Functions of Anisotropy Constant

The amplitudes of magnetic and elastic vibrations for Mn{sub 0.61}Zn{sub 0.35}Fe{sub 2.04}O{sub 4} spinel crystalline slab are calculated by solving the equations describing the magnetic and elastic dynamics. The anisotropy constants, magnetization, second-order elastic constants and magnetoelastic coupling constants for a studied crystal are expressed as the functions of temperature. The magnetization vector and elastic shear components are found as the functions of the first magnetic anisotropy constant at different values of an external constant magnetic field greater than a saturation field. The procession patterns for normally and tangentially magnetized slabs are displayed for two values of the first anisotropy constant. High absolute values of the first anisotropy constant are shown to refer to reorientation of the magnetization vector.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2014

Northern Winter Climate Change: Assessment of Uncertainty in CMIP5 Projections Related to Stratosphere-Troposphere Coupling

Future changes in the stratospheric circulation could have an important impact on northern winter tropospheric climate change, given that sea level pressure (SLP) responds not only to tropospheric circulation variations but also to vertically coherent variations in troposphere-stratosphere circulation. Here we assess northern winter stratospheric change and its potential to influence surface climate change in the Coupled Model Intercomparison Project-Phase 5 (CMIP5) multimodel ensemble. In the stratosphere at high latitudes, an easterly change in zonally averaged zonal wind is found for the majority of the CMIP5 models, under the Representative Concentration Pathway 8.5 scenario. Comparable results are also found in the 1% CO2 increase per year projections, indicating that the stratospheric easterly change is common feature in future climate projections. This stratospheric wind change, however, shows a significant spread among the models. By using linear regression, we quantify the impact of tropical upper troposphere warming, polar amplification, and the stratospheric wind change on SLP. We find that the intermodel spread in stratospheric wind change contributes substantially to the intermodel spread in Arctic SLP change. The role of the stratosphere in determining part of the spread in SLP change is supported by the fact that the SLP change lags the stratospheric zonally averaged wind change. Taken together, these findings provide further support for the importance of simulating the coupling between the stratosphere and the troposphere, to narrow the uncertainty in the future projection of tropospheric circulation changes.

climate change↗
DOE OSTI2015

Quantum mechanical calculation of the collision-induced absorption spectra of N{sub 2}–N{sub 2} with anisotropic interactions

We present quantum mechanical calculations of the collision-induced absorption spectra of nitrogen molecules, using ab initio dipole moment and potential energy surfaces. Collision-induced spectra are first calculated using the isotropic interaction approximation. Then, we improve upon these results by considering the full anisotropic interaction potential. We also develop the computationally less expensive coupled-states approximation for calculating collision-induced spectra and validate this approximation by comparing the results to numerically exact close-coupling calculations for low energies. Angular localization of the scattering wave functions due to anisotropic interactions affects the line strength at low energies by two orders of magnitude. The effect of anisotropy decreases at higher energy, which validates the isotropic interaction approximation as a high-temperature approximation for calculating collision-induced spectra. Agreement with experimental data is reasonable in the isotropic interaction approximation, and improves when the full anisotropic potential is considered. Calculated absorption coefficients are tabulated for application in atmospheric modeling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Ultrasonic power transfer from a spherical acoustic wave source to a free-free piezoelectric receiver: Modeling and experiment

Contactless powering of small electronic components has lately received growing attention for wireless applications in which battery replacement or tethered charging is undesired or simply impossible, and ambient energy harvesting is not a viable solution. As an alternative to well-studied methods of contactless energy transfer, such as the inductive coupling method, the use of ultrasonic waves transmitted and received by piezoelectric devices enables larger power transmission distances, which is critical especially for deep-implanted electronic devices. Moreover, energy transfer by means of acoustic waves is well suited in situations where no electromagnetic fields are allowed. The limited literature of ultrasonic acoustic energy transfer is mainly centered on proof-of-concept experiments demonstrating the feasibility of this method, lacking experimentally validated modeling efforts for the resulting multiphysics problem that couples the source and receiver dynamics with domain acoustics. In this work, we present fully coupled analytical, numerical, and experimental multiphysics investigations for ultrasonic acoustic energy transfer from a spherical wave source to a piezoelectric receiver bar that operates in the 33-mode of piezoelectricity. The fluid-loaded piezoelectric receiver under free-free mechanical boundary conditions is shunted to an electrical load for quantifying the electrical power output for a given acoustic source strength of the transmitter. The analytical acoustic-piezoelectric structure interaction modeling framework is validated experimentally, and the effects of system parameters are reported along with optimal electrical loading and frequency conditions of the receiver.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Ab initio study of electronic and magnetic properties in Ni-doped WS{sub 2} monolayer

The magnetic properties of Ni-doped WS{sub 2} monolayer are investigated using first-principles method. The results indicate that both one-Ni-doped and the nearest two-Ni-doped systems are magnetic. The p-d hybridization between the Ni atom and its neighboring S atoms results in the ferromagnetic interaction of the Ni-doped WS{sub 2} monolayer. The antiferromagnetic coupling is observed with increasing Ni-Ni distance which can be explained by two-impurity Haldane-Anderson model using quantum Monte Carlo method. Our studies show that the nearest two Ni-doped WS{sub 2} monolayers to be candidates for two-dimensional transition-metal nanosheets. Moreover, we discussed the differences in the formation energy between W-rich and S-rich conditions. Our results also predict that it would be easier to incorporate Ni atoms into a S-rich WS{sub 2} monolayer in the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Helium production prediction in HTR fuel using Monte Carlo MCB system - 18713

The integrated burnup calculation code MCB deals with the complexity of burnup process, which occurs in HTR and requires application of an integrated calculation system with consideration of spatial effects of full heterogeneous reactor model with continuous energy representation of cross section and the thermo-hydraulic coupling. MCB automatically calculates helium production in all possible reaction or decay channels. The methodology of He calculation in HTR using MCB is described. It includes transmutation trajectories analysis in few batch reloading scenarios, which allows us for integrated analysis of helium production sources. The result of performed analysis is presented showing the sources of strong contribution to the helium production rate. Statistical fluctuation effects on Monte Carlo modeling of nuclear reactors as well as the uncertainty assessment are carried out, which includes the error propagation in the depletion calculations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Modelling gamma-ray photon emission and pair production in high-intensity laser–matter interactions

In high-intensity (>10{sup 21} Wcm{sup −2}) laser–matter interactions gamma-ray photon emission by the electrons can strongly affect the electron's dynamics and copious numbers of electron–positron pairs can be produced by the emitted photons. We show how these processes can be included in simulations by coupling a Monte Carlo algorithm describing the emission to a particle-in-cell code. The Monte Carlo algorithm includes quantum corrections to the photon emission, which we show must be included if the pair production rate is to be correctly determined. The accuracy, convergence and energy conservation properties of the Monte Carlo algorithm are analysed in simple test problems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Mechanism of multi-defect induced ferromagnetism in undoped rutile TiO{sub 2}

Based on first-principles calculations, the coexistence of Ti vacancies (V{sub Ti}) and O vacancies (V{sub O}) is first considered to study the origin of the ferromagnetic ordering in undoped rutile TiO{sub 2}. The calculations show that V{sub O} can induce local magnetic moments in TiO{sub 2}, however, the ferromagnetic (FM) exchange interaction of two V{sub O} is not strong enough to induce room-temperature (RT) ferromagnetism on their own in undoped TiO{sub 2}. The FM coupling between two V{sub Ti} is about four times stronger than that between two V{sub O}. More importantly, the FM coupling between two V{sub Ti} is further enhanced after V{sub O} is introduced. Our results indicate that the electrons induced by V{sub O} mediate the long-range FM exchange interaction between two distant V{sub Ti}. This maybe the ferromagnetism mechanism in undoped TiO{sub 2}: V{sub Ti} produce local moments while the electrons induced by V{sub O} mediated the long-range FM exchange interaction. The results are in excellent agreement with the experimental evidences that V{sub O} alone cannot induce RT ferromagnetism while V{sub O} can promote the ferromagnetic ordering in undoped TiO{sub 2}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Influences of lidar scanning parameters on wind turbine wake retrievals in complex terrain

Abstract. Scanning lidars enable the collection of spatially distributed measurements of turbine wakes and the estimation of wake properties such as magnitude, extent, and trajectory. Lidar-based characterizations, however, may be subject to distortions due to the observational system. Distortions can arise from the resolution of the measurement points across the wake, the projection of the winds onto the beam, averaging along the beam probe volume, and intervening evolution of the flow over the scan duration. Using a large-eddy simulation and simulated measurements with a virtual lidar model, we assess how scanning lidar systems may influence the properties of the retrieved wake using a case study from the Perdigão campaign. We consider three lidars performing range-height indicator sweeps in complex terrain, based on the deployments of lidars from the Danish Technical University (DTU) and German Aerospace Center (DLR) at the Perdigão site. The unwaked flow, measured by the DTU lidar, is well-captured by the lidar, even without combining data into a multi-lidar retrieval. The two DLR lidars measure a waked transect from different downwind vantage points. In the region of the wake, the observation system reacts to the smaller spatial and temporal variations of the winds, allowing more significant observation distortions to arise. While the measurements largely capture the wake structure and trajectory over its 4–5 D extent, limited spatial resolution of measurement points and volume averaging lead to a quicker loss of the two lobes in the near wake, smearing of the vertical bounds of the wake (< 30 m), wake center displacements up to 10 m, and dampening of the maximum velocity deficit by up to a third. The virtual lidar tool, coupled with simulations, provides a means for assessing measurement capabilities in advance of measurement campaigns.

17 WIND ENERGY↗
DOE OSTI2020

Ultrasonic waves from radial mode excitation of a piezoelectric disc on the surface of an elastic solid

In this work, we discuss the ultrasonic wave propagation characteristics in an isotropic elastic solid due to the radial mode excitation of a piezoelectric disc actuator bonded to its surface. Finite element simulations using coupled electromechanical modeling is employed to investigate the wave propagation behavior. We find that the radial mode vibrations on the surface of the elastic solid generates all the three types of ultrasonic waves: longitudinal, shear, and surface waves. The waves in the solid are comprised of a central lobe and multiple side lobes based on the frequency of the radial mode excitation. The central lobe is predominantly composed of longitudinal waves and the side lobes are composed of shear waves. While the longitudinal waves have a strong central lobe and weak side lobes that are not fully developed, shear waves consists of fully developed side lobes. In addition, we observe that the longitudinal waves have fewer side lobes inside the solid compared to the shear waves. A semi-analytical approach is presented to explain the above observations. The interface traction boundary condition between the piezoelectric disc and the elastic solid is approximated as a truncated 'Bessel' excitation over the area of the piezoelectric disc in contact with the solid. A Fourier–Bessel series expansion technique is used to investigate the wave propagation behavior from the above traction boundary condition. The results obtained explain the observations from the finite element simulations with regard to the number and distribution of side lobes pertaining to the longitudinal and shear waves generated from the radial modes of the piezoelectric disc. The proposed semi-analytical approach is general and can be applied to any arbitrary axisymmetric excitations on the surface of an elastic solid.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Electron impact rotationally elastic total cross section for formamide

This paper reports computational results of the total cross sections for electron impact on formamide (HCONH₂) over a wide range of energies from 0.01 eV to 5 keV. Total cross sections over such a wide range are reported for the first time as the earlier reported data is up to maximum of 12 eV. Below ionization threshold of the target, we performed ab initio calculations using UK molecular R-Matrix code within static, exchange plus polarization (SEP), and close coupling approximations. Twenty eight target states are included in close coupling formalism. Total 350 channels and 2410 configuration state functions are included in the calculations. We observe a π* shape resonance at 3.41 eV and a σ* resonance at 15.3 eV as against similar resonances reported at 3.77 eV and 14.9 eV, respectively, by Goumans et al. [J. Chem. Theory Comput. 5, 217 (2009)] using SEP model. The cross sections at higher energies are evaluated using the spherical complex optical potential formalism. The two methods are found to be consistent with a smooth cross over at 18 eV. The vertical excitation energies, electronic excitation cross sections, differential cross sections, momentum transfer, and total cross sections are computed. In absence of experimental data, we compared our computed total cross sections with available other theoretical results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗