Thermal Response Modeling System for a Mars Sample Return Vehicle

NASA Technical Reports Server (NTRS)

Chen, Y.-K.; Miles, Frank S.; Arnold, Jim (Technical Monitor)

2001-01-01

A multi-dimensional, coupled thermal response modeling system for analysis of hypersonic entry vehicles is presented. The system consists of a high fidelity Navier-Stokes equation solver (GIANTS), a two-dimensional implicit thermal response, pyrolysis and ablation program (TITAN), and a commercial finite-element thermal and mechanical analysis code (MARC). The simulations performed by this integrated system include hypersonic flowfield, fluid and solid interaction, ablation, shape change, pyrolysis gas eneration and flow, and thermal response of heatshield and structure. The thermal response of the heatshield is simulated using TITAN, and that of the underlying structural is simulated using MARC. The ablating heatshield is treated as an outer boundary condition of the structure, and continuity conditions of temperature and heat flux are imposed at the interface between TITAN and MARC. Aerothermal environments with fluid and solid interaction are predicted by coupling TITAN and GIANTS through surface energy balance equations. With this integrated system, the aerothermal environments for an entry vehicle and the thermal response of the entire vehicle can be obtained simultaneously. Representative computations for a flat-faced arc-jet test model and a proposed Mars sample return capsule are presented and discussed.

Thermal Response Modeling System for a Mars Sample Return Vehicle

NASA Technical Reports Server (NTRS)

Chen, Y.-K.; Milos, F. S.

2002-01-01

A multi-dimensional, coupled thermal response modeling system for analysis of hypersonic entry vehicles is presented. The system consists of a high fidelity Navier-Stokes equation solver (GIANTS), a two-dimensional implicit thermal response, pyrolysis and ablation program (TITAN), and a commercial finite element thermal and mechanical analysis code (MARC). The simulations performed by this integrated system include hypersonic flowfield, fluid and solid interaction, ablation, shape change, pyrolysis gas generation and flow, and thermal response of heatshield and structure. The thermal response of the heatshield is simulated using TITAN, and that of the underlying structural is simulated using MARC. The ablating heatshield is treated as an outer boundary condition of the structure, and continuity conditions of temperature and heat flux are imposed at the interface between TITAN and MARC. Aerothermal environments with fluid and solid interaction are predicted by coupling TITAN and GIANTS through surface energy balance equations. With this integrated system, the aerothermal environments for an entry vehicle and the thermal response of the entire vehicle can be obtained simultaneously. Representative computations for a flat-faced arc-jet test model and a proposed Mars sample return capsule are presented and discussed.

A simulation technique for predicting thickness of thermal sprayed coatings

NASA Technical Reports Server (NTRS)

Goedjen, John G.; Miller, Robert A.; Brindley, William J.; Leissler, George W.

1995-01-01

The complexity of many of the components being coated today using the thermal spray process makes the trial and error approach traditionally followed in depositing a uniform coating inadequate, thereby necessitating a more analytical approach to developing robotic trajectories. A two dimensional finite difference simulation model has been developed to predict the thickness of coatings deposited using the thermal spray process. The model couples robotic and component trajectories and thermal spraying parameters to predict coating thickness. Simulations and experimental verification were performed on a rotating disk to evaluate the predictive capabilities of the approach.

Coupled electro-thermal field in a high current electrolysis cell or liquid metal batteries

PubMed Central

Cai, Liwei; Ni, Haiou; Lu, Gui-Min; Yu, Jian-Guo

2018-01-01

Coupled electro-thermal field exists widely in chemical batteries and electrolysis industry. In this study, a three-dimensional numerical model, which is based on the finite-element software ANSYS, has been built to simulate the electro-thermal field in a magnesium electrolysis cell. The adjustment of the relative position of the anode and cathode can change the energy consumption of the magnesium electrolysis process significantly. Besides, the current intensity has a nonlinear effect on heat balance, and the effects of heat transfer coefficients, electrolysis and air temperature on the heat balance have been released to maintain the thermal stability in a magnesium electrolysis cell. The relationship between structure as well as process parameters and electro-thermal field has been obtained and the simulation results can provide experience for the scale-up design in liquid metal batteries. PMID:29515848

An intermediate-scale model for thermal hydrology in low-relief permafrost-affected landscapes

DOE PAGES

Jan, Ahmad; Coon, Ethan T.; Painter, Scott L.; ...

2017-07-10

Integrated surface/subsurface models for simulating the thermal hydrology of permafrost-affected regions in a warming climate have recently become available, but computational demands of those new process-rich simu- lation tools have thus far limited their applications to one-dimensional or small two-dimensional simulations. We present a mixed-dimensional model structure for efficiently simulating surface/subsurface thermal hydrology in low-relief permafrost regions at watershed scales. The approach replaces a full three-dimensional system with a two-dimensional overland thermal hydrology system and a family of one-dimensional vertical columns, where each column represents a fully coupled surface/subsurface thermal hydrology system without lateral flow. The system is then operatormore » split, sequentially updating the overland flow system without sources and the one-dimensional columns without lateral flows. We show that the app- roach is highly scalable, supports subcycling of different processes, and compares well with the corresponding fully three-dimensional representation at significantly less computational cost. Those advances enable recently developed representations of freezing soil physics to be coupled with thermal overland flow and surface energy balance at scales of 100s of meters. Furthermore developed and demonstrated for permafrost thermal hydrology, the mixed-dimensional model structure is applicable to integrated surface/subsurface thermal hydrology in general.« less

Coupled thermal-fluid-mechanics analysis of twin roll casting of A7075 aluminum alloy

NASA Astrophysics Data System (ADS)

Lee, Yun-Soo; Kim, Hyoung-Wook; Cho, Jae-Hyung; Chun, Se-Hwan

2017-09-01

Better understanding of temperature distribution and roll separation force during twin roll casting of aluminum alloys is critical to successfully fabricate good quality of aluminum strips. Therefore, the simulation techniques are widely applied to understand the twin roll casting process in a comprehensive way and to reduce the experimental time and cost of trial and error. However, most of the conventional approaches are considered thermally coupled flow, or thermally coupled mechanical behaviors. In this study, a fully coupled thermal-fluid-mechanical analysis of twin roll casting of A7075 aluminum strips was carried out using the finite element method. Temperature profile, liquid fraction and metal flow of aluminum strips with different thickness were predicted. Roll separation force and roll temperatures were experimentally obtained from a pilot-scale twin roll caster, and those results were compared with model predictions. Coupling the fluid of the liquid melt to the thermal and mechanical modeling reasonably predicted roll temperature distribution and roll separation force during twin roll casting.

Thermal Management Tools for Propulsion System Trade Studies and Analysis

NASA Technical Reports Server (NTRS)

McCarthy, Kevin; Hodge, Ernie

2011-01-01

Energy-related subsystems in modern aircraft are more tightly coupled with less design margin. These subsystems include thermal management subsystems, vehicle electric power generation and distribution, aircraft engines, and flight control. Tighter coupling, lower design margins, and higher system complexity all make preliminary trade studies difficult. A suite of thermal management analysis tools has been developed to facilitate trade studies during preliminary design of air-vehicle propulsion systems. Simulink blocksets (from MathWorks) for developing quasi-steady-state and transient system models of aircraft thermal management systems and related energy systems have been developed. These blocksets extend the Simulink modeling environment in the thermal sciences and aircraft systems disciplines. The blocksets include blocks for modeling aircraft system heat loads, heat exchangers, pumps, reservoirs, fuel tanks, and other components at varying levels of model fidelity. The blocksets have been applied in a first-principles, physics-based modeling and simulation architecture for rapid prototyping of aircraft thermal management and related systems. They have been applied in representative modern aircraft thermal management system studies. The modeling and simulation architecture has also been used to conduct trade studies in a vehicle level model that incorporates coupling effects among the aircraft mission, engine cycle, fuel, and multi-phase heat-transfer materials.

Fully Coupled Aero-Thermochemical-Elastic Simulations of an Eroding Graphite Nozzle

NASA Technical Reports Server (NTRS)

Blades, E. L.; Reveles, N. D.; Nucci, M.; Maclean, M.

2017-01-01

A multiphysics simulation capability has been developed that incorporates mutual interactions between aerodynamics, structural response from aero/thermal loading, ablation/pyrolysis, heating, and surface-to-surface radiation to perform high-fidelity, fully coupled aerothermoelastic ablation simulations, which to date had been unattainable. The multiphysics framework couples CHAR (a 3-D implicit charring ablator solver), Loci/CHEM (a computational fluid dynamics solver for high-speed chemically reacting flows), and Abaqus (a nonlinear structural dynamics solver) to create a fully coupled aerothermoelastic charring ablative solver. The solvers are tightly coupled in a fully integrated fashion to resolve the effects of the ablation pyrolysis and charring process and chemistry products upon the flow field, the changes in surface geometry due to recession upon the flow field, and thermal-structural analysis of the body from the induced aerodynamic heating from the flow field. The multiphysics framework was successfully demonstrated on a solid rocket motor graphite nozzle erosion application. Comparisons were made with available experimental data that measured the throat erosion during the motor firing. The erosion data is well characterized, as the test rig was equipped with a windowed nozzle section for real-time X-ray radiography diagnostics of the instantaneous throat variations for deducing the instantaneous erosion rates. The nozzle initially undergoes a nozzle contraction due to thermal expansion before ablation effects are able to widen the throat. A series of parameters studies were conducted using the coupled simulation capability to determine the sensitivity of the nozzle erosion to different parameters. The parameter studies included the shape of the nozzle throat (flat versus rounded), the material properties, the effect of the choice of turbulence model, and the inclusion or exclusion of the mechanical thermal expansion. Overall, the predicted results match the experiment very well, and the predictions were able to bound the data within acceptable limits.

Coupling of TRAC-PF1/MOD2, Version 5.4.25, with NESTLE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Knepper, P.L.; Hochreiter, L.E.; Ivanov, K.N.

1999-09-01

A three-dimensional (3-D) spatial kinetics capability within a thermal-hydraulics system code provides a more correct description of the core physics during reactor transients that involve significant variations in the neutron flux distribution. Coupled codes provide the ability to forecast safety margins in a best-estimate manner. The behavior of a reactor core and the feedback to the plant dynamics can be accurately simulated. For each time step, coupled codes are capable of resolving system interaction effects on neutronics feedback and are capable of describing local neutronics effects caused by the thermal hydraulics and neutronics coupling. With the improvements in computational technology,more » modeling complex reactor behaviors with coupled thermal hydraulics and spatial kinetics is feasible. Previously, reactor analysis codes were limited to either a detailed thermal-hydraulics model with simplified kinetics or multidimensional neutron kinetics with a simplified thermal-hydraulics model. The authors discuss the coupling of the Transient Reactor Analysis Code (TRAC)-PF1/MOD2, Version 5.4.25, with the NESTLE code.« less

The thermal and mechanical deformation study of up-stream pumping mechanical seal

NASA Astrophysics Data System (ADS)

Chen, H. L.; Xu, C.; Zuo, M. Z.; Wu, Q. B.

2015-01-01

Taking the viscosity-temperature relationship of the fluid film into consideration, a 3-D numerical model was established by ANSYS software which can simulate the heat transfer between the upstream pumping mechanical seal stationary and rotational rings and the fluid film between them as well as simulate the thermal deformation, structure deformation and the coupling deformation of them. According to the calculation result, thermal deformation causes the seal face expansion and the maximum thermal deformation appears at the inside of the seal ring. Pressure results in a mechanical deformation, the maximum deformation occurs at the top of the spiral groove and the overall trend is inward the mating face, opposite to the thermal deformation. The coupling deformation indicate that the thermal deformation can be partly counteracted by pressure deformation. Using this model, the relationship between deformation and shaft speed and the sealing liquid pressure was studied. It's found that the shaft speed will both enhance the thermal and structure deformation and the fluid pressure will enhance the structure deformation but has little to do with the thermal deformation. By changing the sealing material, it's found that material with low thermal expansion coefficient and low elastic modulus will suffer less thermal-pressure deformation.

Coupling of the Models of Human Physiology and Thermal Comfort

NASA Astrophysics Data System (ADS)

Pokorny, J.; Jicha, M.

2013-04-01

A coupled model of human physiology and thermal comfort was developed in Dymola/Modelica. A coupling combines a modified Tanabe model of human physiology and thermal comfort model developed by Zhang. The Coupled model allows predicting the thermal sensation and comfort of both local and overall from local boundary conditions representing ambient and personal factors. The aim of this study was to compare prediction of the Coupled model with the Fiala model prediction and experimental data. Validation data were taken from the literature, mainly from the validation manual of software Theseus-FE [1]. In the paper validation of the model for very light physical activities (1 met) indoor environment with temperatures from 12 °C up to 48 °C is presented. The Coupled model predicts mean skin temperature for cold, neutral and warm environment well. However prediction of core temperature in cold environment is inaccurate and very affected by ambient temperature. Evaluation of thermal comfort in warm environment is supplemented by skin wettedness prediction. The Coupled model is designed for non-uniform and transient environmental conditions; it is also suitable simulation of thermal comfort in vehicles cabins. The usage of the model is limited for very light physical activities up to 1.2 met only.

Finite Element Modeling of Non-linear Coupled Interacting Fault System

NASA Astrophysics Data System (ADS)

Xing, H. L.; Zhang, J.; Wyborn, D.

2009-04-01

PANDAS - Parallel Adaptive static/dynamic Nonlinear Deformation Analysis System - a novel supercomputer simulation tool is developed for simulating the highly non-linear coupled geomechanical-fluid flow-thermal systems involving heterogeneously fractured geomaterials. PANDAS includes the following key components: Pandas/Pre, ESyS_Crustal, Pandas/Thermo, Pandas/Fluid and Pandas/Post as detailed in the following: • Pandas/Pre is developed to visualise the microseismicity events recorded during the hydraulic stimulation process to further evaluate the fracture location and evolution and geological setting of a certain reservoir, and then generate the mesh by it and/or other commercial graphics software (such as Patran) for the further finite element analysis of various cases; The Delaunay algorithm is applied as a suitable method for mesh generation using such a point set; • ESyS_Crustal is a finite element code developed for the interacting fault system simulation, which employs the adaptive static/dynamic algorithm to simulate the dynamics and evolution of interacting fault systems and processes that are relevant on short to mediate time scales in which several dynamic phenomena related with stick-slip instability along the faults need to be taken into account, i.e. (a). slow quasi-static stress accumulation, (b) rapid dynamic rupture, (c) wave propagation and (d) corresponding stress redistribution due to the energy release along the multiple fault boundaries; those are needed to better describe ruputure/microseimicity/earthquake related phenomena with applications in earthquake forecasting, hazard quantification, exploration, and environmental problems. It has been verified with various available experimental results[1-3]; • Pandas/Thermo is a finite element method based module for the thermal analysis of the fractured porous media; the temperature distribution is calculated from the heat transfer induced by the thermal boundary conditions without/with the coupled fluid effects and the geomechanical energy conversion for the pure/coupled thermal analysis. • Pandas/Fluid is a finite element method based module for simulating the fluid flow in the fractured porous media; the fluid flow velocity and pressure are calculated from energy equilibrium equations without/together with the coupling effects of the thermal and solid rock deformation for an independent/coupled fluid flow analysis; • Pandas/Post is to visualise the simulation results through the integration of VTK and/or Patran. All the above modules can be used independently/together to simulate individual/coupled phenomena (such as interacting fault system dynamics, heat flow and fluid flow) without/with coupling effects. PANDAS has been applied to the following issues: • visualisation of the microseismic events to monitor and determine where/how the underground rupture proceeds during a hydraulic stimulation, to generate the mesh using the recorded data for determining the domain of the ruptured zone and to evaluate the material parameters (i.e. the permeability) for the further numerical analysis; • interacting fault system simulation to determine the relevant complicated dynamic rupture process. • geomechanical-fluid flow coupling analysis to investigate the interactions between fluid flow and deformation in the fractured porous media under different loading conditions. • thermo-fluid flow coupling analysis of a fractured geothermal reservoir system. PANDAS will be further developed for a multiscale simulation of multiphase dynamic behaviour for a certain fractured geothermal reservoir. More details and additional application examples will be given during the presentation. References [1] Xing, H. L., Makinouchi, A. and Mora, P. (2007). Finite element modeling of interacting fault system, Physics of the Earth and Planetary Interiors, 163, 106-121.doi:10.1016/j.pepi.2007.05.006 [2] Xing, H. L., Mora, P., Makinouchi, A. (2006). An unified friction description and its application to simulation of frictional instability using finite element method. Philosophy Magazine, 86, 3453-3475 [3] Xing, H. L., Mora, P.(2006). Construction of an intraplate fault system model of South Australia, and simulation tool for the iSERVO institute seed project.. Pure and Applied Geophysics. 163, 2297-2316. DOI 10.1007/s00024-006-0127-x

A representative-sandwich model for simultaneously coupled mechanical-electrical-thermal simulation of a lithium-ion cell under quasi-static indentation tests

DOE PAGES

Zhang, Chao; Santhanagopalan, Shriram; Sprague, Michael A.; ...

2015-08-29

The safety behavior of lithium-ion batteries under external mechanical crush is a critical concern, especially during large scale deployment. We previously presented a sequentially coupled mechanical-electrical-thermal modeling approach for studying mechanical abuse induced short circuit. Here in this work, we study different mechanical test conditions and examine the interaction between mechanical failure and electrical-thermal responses, by developing a simultaneous coupled mechanical-electrical-thermal model. The present work utilizes a single representative-sandwich (RS) to model the full pouch cell with explicit representations for each individual component such as the active material, current collector, separator, etc. Anisotropic constitutive material models are presented to describemore » the mechanical properties of active materials and separator. The model predicts accurately the force-strain response and fracture of battery structure, simulates the local failure of separator layer, and captures the onset of short circuit for lithium-ion battery cell under sphere indentation tests with three different diameters. Electrical-thermal responses to the three different indentation tests are elaborated and discussed. Lastly, numerical studies are presented to show the potential impact of test conditions on the electrical-thermal behavior of the cell after the occurrence of short circuit.« less

A representative-sandwich model for simultaneously coupled mechanical-electrical-thermal simulation of a lithium-ion cell under quasi-static indentation tests

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Chao; Santhanagopalan, Shriram; Sprague, Michael A.

The safety behavior of lithium-ion batteries under external mechanical crush is a critical concern, especially during large scale deployment. We previously presented a sequentially coupled mechanical-electrical-thermal modeling approach for studying mechanical abuse induced short circuit. Here in this work, we study different mechanical test conditions and examine the interaction between mechanical failure and electrical-thermal responses, by developing a simultaneous coupled mechanical-electrical-thermal model. The present work utilizes a single representative-sandwich (RS) to model the full pouch cell with explicit representations for each individual component such as the active material, current collector, separator, etc. Anisotropic constitutive material models are presented to describemore » the mechanical properties of active materials and separator. The model predicts accurately the force-strain response and fracture of battery structure, simulates the local failure of separator layer, and captures the onset of short circuit for lithium-ion battery cell under sphere indentation tests with three different diameters. Electrical-thermal responses to the three different indentation tests are elaborated and discussed. Lastly, numerical studies are presented to show the potential impact of test conditions on the electrical-thermal behavior of the cell after the occurrence of short circuit.« less

Thermal-mechanical coupling effect on initial stage oxidation of Si(100) surface

NASA Astrophysics Data System (ADS)

Sun, Yu; Liu, Yilun; Chen, Xuefeng; Zhai, Zhi; Izumi, Satoshi

2018-04-01

The initial stage oxidation of biaxially strained Si(100) at temperatures ranging from 300 K to 1200 K has been investigated by Reactive Force Field Molecular Dynamics simulations. We reported that the oxidation process involving the reaction rate and the amount of absorbed O atoms could be enhanced by the coupling effect of higher temperatures and larger external tension. By fitting the simulation results, the relationship between absorbed oxygen and the coupling of temperature and strain was obtained. In probing the mechanism, we observed that there was a ballistic transport of O atoms, displaying an enhancement of inward penetration by external tension. Since such an inward transport was favored by thermal actuation, more O atoms penetrated into deeper layers when the 9% strained Si oxidized at 1200 K. Moreover, the evolution of stress in the surface region during the oxidation process was discussed, as well as the related oxide structure and the film quality. These present results may provide a way to understand the thermally-mechanically coupled chemical reactions and propose an effective approach to optimize microscale component processing in the electronic field.

Comparison of ground-coupled solar-heat-pump systems to conventional systems for residential heating, cooling and water heating

NASA Astrophysics Data System (ADS)

Choi, M. K.; Morehouse, J. H.; Hughes, P. J.

1981-07-01

An analysis is performed of ground-coupled stand-alone and series configured solar-assisted liquid-to-air heat pump systems for residences. The year-round thermal performance of these systems for space heating, space cooling, and water heating is determined by simulation and compared against non-ground-coupled solar heat pump systems as well as conventional heating and cooling systems in three geographic locations: Washington, DC; Fort Worth, Texas; and Madison, Wisconsin. The results indicate that without tax credits a combined solar/ground-coupled heat pump system for space heating and cooling is not cost competitive with conventional systems. Its thermal performance is considerably better than non-ground-coupled solar heat pumps in Fort Worth. Though the ground-coupled stand-alone heat pump provides 51 percent of the heating and cooling load with non-purchased energy in Fort Worth, its thermal performance in Washington and Madison is poor.

Continuum-atomistic simulation of picosecond laser heating of copper with electron heat capacity from ab initio calculation

NASA Astrophysics Data System (ADS)

Ji, Pengfei; Zhang, Yuwen

2016-03-01

On the basis of ab initio quantum mechanics (QM) calculation, the obtained electron heat capacity is implemented into energy equation of electron subsystem in two temperature model (TTM). Upon laser irradiation on the copper film, energy transfer from the electron subsystem to the lattice subsystem is modeled by including the electron-phonon coupling factor in molecular dynamics (MD) and TTM coupled simulation. The results show temperature and thermal melting difference between the QM-MD-TTM integrated simulation and pure MD-TTM coupled simulation. The successful construction of the QM-MD-TTM integrated simulation provides a general way that is accessible to other metals in laser heating.

A Coupled Thermal–Hydrological–Mechanical Damage Model and Its Numerical Simulations of Damage Evolution in APSE

PubMed Central

Wei, Chenhui; Zhu, Wancheng; Chen, Shikuo; Ranjith, Pathegama Gamage

2016-01-01

This paper proposes a coupled thermal–hydrological–mechanical damage (THMD) model for the failure process of rock, in which coupling effects such as thermally induced rock deformation, water flow-induced thermal convection, and rock deformation-induced water flow are considered. The damage is considered to be the key factor that controls the THM coupling process and the heterogeneity of rock is characterized by the Weibull distribution. Next, numerical simulations on excavation-induced damage zones in Äspö pillar stability experiments (APSE) are carried out and the impact of in situ stress conditions on damage zone distribution is analysed. Then, further numerical simulations of damage evolution at the heating stage in APSE are carried out. The impacts of in situ stress state, swelling pressure and water pressure on damage evolution at the heating stage are simulated and analysed, respectively. The simulation results indicate that (1) the v-shaped notch at the sidewall of the pillar is predominantly controlled by the in situ stress trends and magnitude; (2) at the heating stage, the existence of confining pressure can suppress the occurrence of damage, including shear damage and tensile damage; and (3) the presence of water flow and water pressure can promote the occurrence of damage, especially shear damage. PMID:28774001

Computation of Coupled Thermal-Fluid Problems in Distributed Memory Environment

NASA Technical Reports Server (NTRS)

Wei, H.; Shang, H. M.; Chen, Y. S.

2001-01-01

The thermal-fluid coupling problems are very important to aerospace and engineering applications. Instead of analyzing heat transfer and fluid flow separately, this study merged two well-accepted engineering solution methods, SINDA for thermal analysis and FDNS for fluid flow simulation, into a unified multi-disciplinary thermal fluid prediction method. A fully conservative patched grid interface algorithm for arbitrary two-dimensional and three-dimensional geometry has been developed. The state-of-the-art parallel computing concept was used to couple SINDA and FDNS for the communication of boundary conditions through PVM (Parallel Virtual Machine) libraries. Therefore, the thermal analysis performed by SINDA and the fluid flow calculated by FDNS are fully coupled to obtain steady state or transient solutions. The natural convection between two thick-walled eccentric tubes was calculated and the predicted results match the experiment data perfectly. A 3-D rocket engine model and a real 3-D SSME geometry were used to test the current model, and the reasonable temperature field was obtained.

Thermal transport across metal silicide-silicon interfaces: First-principles calculations and Green's function transport simulations

NASA Astrophysics Data System (ADS)

Sadasivam, Sridhar; Ye, Ning; Feser, Joseph P.; Charles, James; Miao, Kai; Kubis, Tillmann; Fisher, Timothy S.

2017-02-01

Heat transfer across metal-semiconductor interfaces involves multiple fundamental transport mechanisms such as elastic and inelastic phonon scattering, and electron-phonon coupling within the metal and across the interface. The relative contributions of these different transport mechanisms to the interface conductance remains unclear in the current literature. In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of the different scattering mechanisms to the thermal interface conductance of epitaxial CoSi2-Si interfaces. An important development in the present work is the direct computation of interfacial bonding from density functional perturbation theory (DFPT) and hence the avoidance of commonly used "mixing rules" to obtain the cross-interface force constants from bulk material force constants. Another important algorithmic development is the integration of the recursive Green's function (RGF) method with Büttiker probe scattering that enables computationally efficient simulations of inelastic phonon scattering and its contribution to the thermal interface conductance. First-principles calculations of electron-phonon coupling reveal that cross-interface energy transfer between metal electrons and atomic vibrations in the semiconductor is mediated by delocalized acoustic phonon modes that extend on both sides of the interface, and phonon modes that are localized inside the semiconductor region of the interface exhibit negligible coupling with electrons in the metal. We also provide a direct comparison between simulation predictions and experimental measurements of thermal interface conductance of epitaxial CoSi2-Si interfaces using the time-domain thermoreflectance technique. Importantly, the experimental results, performed across a wide temperature range, only agree well with predictions that include all transport processes: elastic and inelastic phonon scattering, electron-phonon coupling in the metal, and electron-phonon coupling across the interface.

Coupled thermal stresses analysis in the composite elastic-plastic cylinder

NASA Astrophysics Data System (ADS)

Murashkin, E. V.; Dats, E. P.

2018-04-01

The present study is devoted to the set of boundary value problems in the frameworks of coupled thermoelastoplasticity under axial symmetry conditions for a composite circular cylinder. Throughout the paper the conventional Prandtl–Reuss elastic–plastic model generalised on the thermal effects is used. The yield stress is assumed by linear function of the temperature. The plastic potential is chosen in the form of Tresca yield criterion and the associated plastic flow rule is derived. The adding process of a heated cylinder to another is simulated. The coupled thermal stresses are calculated during processes of cooling and material unloading. The elastic-plastic borders positions are calculated and plastic flow domains are localized. Numerical results are graphically analysed.

Relationship between negative differential thermal resistance and asymmetry segment size

NASA Astrophysics Data System (ADS)

Kong, Peng; Hu, Tao; Hu, Ke; Jiang, Zhenhua; Tang, Yi

2018-03-01

Negative differential thermal resistance (NDTR) was investigated in a system consisting of two dissimilar anharmonic lattices exemplified by Frenkel-Kontorova (FK) lattices and Fremi-Pasta-Ulam (FPU) lattices (FK-FPU). The previous theoretical and numerical simulations show the dependence of NDTR are the coupling constant, interface and system size, but we find the segment size also to be an important element. It’s interesting that NDTR region depends on FK segment size rather than FPU segment size in this coupling FK-FPU model. Remarkably, we could observe that NDTR appears in the strong interface coupling strength case which is not NDTR in previous studies. The results are conducive to further developments in designing and fabricating thermal devices.

Discrete Element Model for Simulations of Early-Life Thermal Fracturing Behaviors in Ceramic Nuclear Fuel Pellets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hai Huang; Ben Spencer; Jason Hales

2014-10-01

A discrete element Model (DEM) representation of coupled solid mechanics/fracturing and heat conduction processes has been developed and applied to explicitly simulate the random initiations and subsequent propagations of interacting thermal cracks in a ceramic nuclear fuel pellet during initial rise to power and during power cycles. The DEM model clearly predicts realistic early-life crack patterns including both radial cracks and circumferential cracks. Simulation results clearly demonstrate the formation of radial cracks during the initial power rise, and formation of circumferential cracks as the power is ramped down. In these simulations, additional early-life power cycles do not lead to themore » formation of new thermal cracks. They do, however clearly indicate changes in the apertures of thermal cracks during later power cycles due to thermal expansion and shrinkage. The number of radial cracks increases with increasing power, which is consistent with the experimental observations.« less

Enhanced energy transport owing to nonlinear interface interaction

PubMed Central

Su, Ruixia; Yuan, Zongqiang; Wang, Jun; Zheng, Zhigang

2016-01-01

It is generally expected that the interface coupling leads to the suppression of thermal transport through coupled nanostructures due to the additional interface phonon-phonon scattering. However, recent experiments demonstrated that the interface van der Waals interactions can significantly enhance the thermal transfer of bonding boron nanoribbons compared to a single freestanding nanoribbon. To obtain a more in-depth understanding on the important role of the nonlinear interface coupling in the heat transports, in the present paper, we explore the effect of nonlinearity in the interface interaction on the phonon transport by studying the coupled one-dimensional (1D) Frenkel-Kontorova lattices. It is found that the thermal conductivity increases with increasing interface nonlinear intensity for weak inter-chain nonlinearity. By developing the effective phonon theory of coupled systems, we calculate the dependence of heat conductivity on interfacial nonlinearity in weak inter-chain couplings regime which is qualitatively in good agreement with the result obtained from molecular dynamics simulations. Moreover, we demonstrate that, with increasing interface nonlinear intensity, the system dimensionless nonlinearity strength is reduced, which in turn gives rise to the enhancement of thermal conductivity. Our results pave the way for manipulating the energy transport through coupled nanostructures for future emerging applications. PMID:26787363

Effective Thermal Property Estimation of Unitary Pebble Beds Based on a CFD-DEM Coupled Method for a Fusion Blanket

NASA Astrophysics Data System (ADS)

Chen, Lei; Chen, Youhua; Huang, Kai; Liu, Songlin

2015-12-01

Lithium ceramic pebble beds have been considered in the solid blanket design for fusion reactors. To characterize the fusion solid blanket thermal performance, studies of the effective thermal properties, i.e. the effective thermal conductivity and heat transfer coefficient, of the pebble beds are necessary. In this paper, a 3D computational fluid dynamics discrete element method (CFD-DEM) coupled numerical model was proposed to simulate heat transfer and thereby estimate the effective thermal properties. The DEM was applied to produce a geometric topology of a prototypical blanket pebble bed by directly simulating the contact state of each individual particle using basic interaction laws. Based on this geometric topology, a CFD model was built to analyze the temperature distribution and obtain the effective thermal properties. The current numerical model was shown to be in good agreement with the existing experimental data for effective thermal conductivity available in the literature. supported by National Special Project for Magnetic Confined Nuclear Fusion Energy of China (Nos. 2013GB108004, 2015GB108002, 2014GB122000 and 2014GB119000), and National Natural Science Foundation of China (No. 11175207)

Coupled optical and thermal detailed simulations for the accurate evaluation and performance improvement of molten salts solar towers

NASA Astrophysics Data System (ADS)

García-Barberena, Javier; Mutuberria, Amaia; Palacin, Luis G.; Sanz, Javier L.; Pereira, Daniel; Bernardos, Ana; Sanchez, Marcelino; Rocha, Alberto R.

2017-06-01

The National Renewable Energy Centre of Spain, CENER, and the Technology & Innovation area of ACS Cobra, as a result of their long term expertise in the CSP field, have developed a high-quality and high level of detail optical and thermal simulation software for the accurate evaluation of Molten Salts Solar Towers. The main purpose of this software is to make a step forward in the state-of-the-art of the Solar Towers simulation programs. Generally, these programs deal with the most critical systems of such plants, i.e. the solar field and the receiver, on an independent basis. Therefore, these programs typically neglect relevant aspects in the operation of the plant as heliostat aiming strategies, solar flux shapes onto the receiver, material physical and operational limitations, transient processes as preheating and secure cloud passing operating modes, and more. The modelling approach implemented in the developed program consists on effectively coupling detailed optical simulations of the heliostat field with also detailed and full-transient thermal simulations of the molten salts tube-based external receiver. The optical model is based on an accurate Monte Carlo ray-tracing method which solves the complete solar field by simulating each of the heliostats at once according to their specific layout in the field. In the thermal side, the tube-based cylindrical external receiver of a Molten Salts Solar Tower is modelled assuming one representative tube per panel, and implementing the specific connection layout of the panels as well as the internal receiver pipes. Each tube is longitudinally discretized and the transient energy and mass balances in the temperature dependent molten salts and steel tube models are solved. For this, a one dimensional radial heat transfer model based is used. The thermal model is completed with a detailed control and operation strategy module, able to represent the appropriate operation of the plant. An integration framework has been developed, helping ACS Cobra to adequately handle the optical and thermal coupled simulations. According to current results it can be concluded that the developed model has resulted in a powerful tool to improve the design and operation of future ACS Cobra's Molten Salts Solar Towers, since historical data based on its projects have been used for validation of the final tool.

Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr4S8

NASA Astrophysics Data System (ADS)

Pokharel, G.; May, A. F.; Parker, D. S.; Calder, S.; Ehlers, G.; Huq, A.; Kimber, S. A. J.; Arachchige, H. Suriya; Poudel, L.; McGuire, M. A.; Mandrus, D.; Christianson, A. D.

2018-04-01

The physical properties of the spinel LiGaCr4S8 have been studied with neutron diffraction, x-ray diffraction, magnetic susceptibility, and heat capacity measurements. The neutron diffraction and synchrotron x-ray diffraction data reveal negative thermal expansion (NTE) below 111(4) K. The magnetic susceptibility deviates from Curie-Weiss behavior with the onset of NTE. At low temperature a broad peak in the magnetic susceptibility at 10.3(3) K is accompanied by the return of normal thermal expansion. First-principles calculations find a strong coupling between the lattice and the simulated magnetic ground state. These results indicate strong magnetoelastic coupling in LiGaCr4S8 .

Coupled Electro-Thermal Simulations of Single Event Burnout in Power Diodes

NASA Astrophysics Data System (ADS)

Albadri, A. M.; Schrimpf, R. D.; Walker, D. G.; Mahajan, S. V.

2005-12-01

Power diodes may undergo destructive failures when they are struck by high-energy particles during the off state (high reverse-bias voltage). This paper describes the failure mechanism using a coupled electro-thermal model. The specific case of a 3500-V diode is considered and it is shown that the temperatures reached when high voltages are applied are sufficient to cause damage to the constituent materials of the diode. The voltages at which failure occurs (e.g., 2700 V for a 17-MeV carbon ion) are consistent with previously reported data. The simulation results indicate that the catastrophic failures result from local heating caused by avalanche multiplication of ion-generated carriers.

Interacting vegetative and thermal contributions to water movement in desert soil

USGS Publications Warehouse

Garcia, C.A.; Andraski, Brian J.; Stonestrom, David A.; Cooper, C.A.; Šimůnek, J.; Wheatcraft, S.W.

2011-01-01

Thermally driven water-vapor flow can be an important component of total water movement in bare soil and in deep unsaturated zones, but this process is often neglected when considering the effects of soil–plant–atmosphere interactions on shallow water movement. The objectives of this study were to evaluate the coupled and separate effects of vegetative and thermal-gradient contributions to soil water movement in desert environments. The evaluation was done by comparing a series of simulations with and without vegetation and thermal forcing during a 4.7-yr period (May 2001–December 2005). For vegetated soil, evapotranspiration alone reduced root-zone (upper 1 m) moisture to a minimum value (25 mm) each year under both isothermal and nonisothermal conditions. Variations in the leaf area index altered the minimum storage values by up to 10 mm. For unvegetated isothermal and nonisothermal simulations, root-zone water storage nearly doubled during the simulation period and created a persistent driving force for downward liquid fluxes below the root zone (total net flux ~1 mm). Total soil water movement during the study period was dominated by thermally driven vapor fluxes. Thermally driven vapor flow and condensation supplemented moisture supplies to plant roots during the driest times of each year. The results show how nonisothermal flow is coupled with plant water uptake, potentially influencing ecohydrologic relations in desert environments.

Pressurized thermal shock: TEMPEST computer code simulation of thermal mixing in the cold leg and downcomer of a pressurized water reactor. [Creare 61 and 64

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eyler, L.L.; Trent, D.S.

The TEMPEST computer program was used to simulate fluid and thermal mixing in the cold leg and downcomer of a pressurized water reactor under emergency core cooling high-pressure injection (HPI), which is of concern to the pressurized thermal shock (PTS) problem. Application of the code was made in performing an analysis simulation of a full-scale Westinghouse three-loop plant design cold leg and downcomer. Verification/assessment of the code was performed and analysis procedures developed using data from Creare 1/5-scale experimental tests. Results of three simulations are presented. The first is a no-loop-flow case with high-velocity, low-negative-buoyancy HPI in a 1/5-scale modelmore » of a cold leg and downcomer. The second is a no-loop-flow case with low-velocity, high-negative density (modeled with salt water) injection in a 1/5-scale model. Comparison of TEMPEST code predictions with experimental data for these two cases show good agreement. The third simulation is a three-dimensional model of one loop of a full size Westinghouse three-loop plant design. Included in this latter simulation are loop components extending from the steam generator to the reactor vessel and a one-third sector of the vessel downcomer and lower plenum. No data were available for this case. For the Westinghouse plant simulation, thermally coupled conduction heat transfer in structural materials is included. The cold leg pipe and fluid mixing volumes of the primary pump, the stillwell, and the riser to the steam generator are included in the model. In the reactor vessel, the thermal shield, pressure vessel cladding, and pressure vessel wall are thermally coupled to the fluid and thermal mixing in the downcomer. The inlet plenum mixing volume is included in the model. A 10-min (real time) transient beginning at the initiation of HPI is computed to determine temperatures at the beltline of the pressure vessel wall.« less

Multi-sector thermo-physiological head simulator for headgear research

NASA Astrophysics Data System (ADS)

Martinez, Natividad; Psikuta, Agnes; Corberán, José Miguel; Rossi, René M.; Annaheim, Simon

2017-02-01

A novel thermo-physiological human head simulator for headgear testing was developed by coupling a thermal head manikin with a thermo-physiological model. As the heat flux at head-site is directly measured by the head manikin, this method provides a realistic quantification of the heat transfer phenomena occurring in the headgear, such as moisture absorption-desorption cycles, condensation, or moisture migration across clothing layers. Before coupling, the opportunities of the head manikin for representing the human physiology were evaluated separately. The evaluation revealed reduced precision in forehead and face temperature predictions under extreme heterogeneous temperature distributions and no initial limitation for simulating temperature changes observed in the human physiology. The thermo-physiological model predicted higher sweat rates when applied for coupled than for pure virtual simulations. After coupling, the thermo-physiological human head simulator was validated using eight human experiments. It precisely predicted core, mean skin, and forehead temperatures with average rmsd values within the average experimental standard deviation (rmsd of 0.20 ± 0.15, 0.83 ± 0.34, and 1.04 ± 0.54 °C, respectively). However, in case of forehead, precision was lower for the exposures including activity than for the sedentary exposures. The representation of the human sweat evaporation could be affected by a reduced evaporation efficiency and the manikin sweat dynamics. The industry will benefit from this thermo-physiological human head simulator leading to the development of helmet designs with enhanced thermal comfort and, therefore, with higher acceptance by users.

Global Effects of SuperParameterization on Hydro-Thermal Land-Atmosphere Coupling on Multiple Timescales and an Amplification of the Bowen Ratio

NASA Astrophysics Data System (ADS)

Qin, H.; Pritchard, M. S.; Kooperman, G. J.; Parishani, H.

2017-12-01

Conventional General Circulation Models (GCMs) in the Global Land-Atmosphere Coupling Experiment (GLACE) tend to produce overly strong Land-Atmosphere coupling (L-A coupling) strength. We investigate the effects of cloud SuperParameterization (SP) on L-A coupling on timescales longer than the diurnal where it has been previously shown to have a strong effect. Using the Community Atmosphere Model v3.5 (CAM3.5) and its SuperParameterized counterpart SPCAM3.5, we conducted experiments following the GLACE and Atmospheric Model Intercomparison Project (AMIP) protocols. On synoptic-to-subseasonal timescales, SP significantly mutes hydrologic L-A coupling on a global scale, through the atmospheric segment. But on longer seasonal timescales, SP does not exhibit detectable effects on hydrologic L-A coupling. Two regional effects of SP on thermal L-A coupling are also discovered and explored. Over the Arabian Peninsula, SP strikingly reduces thermal L-A coupling due to a control by mean regional rainfall reduction. Over the Southwestern US and Northern Mexico, however, SP remarkably enhances the thermal L-A coupling independent of rainfall or soil moisture. We argue that the cause may be a previously unrecognized effect of SP to amplify the simulated Bowen ratio. Not only does this help reconcile a puzzling local enhancement of thermal L-A coupling over the Southwestern US, but it is also demonstrated to be a robust, global effect of SP over land that is independent of model version and experiment design, and that has important consequences for climate change prediction.

Kinetic Monte Carlo simulations of thermally activated magnetization reversal in dual-layer Exchange Coupled Composite recording media

NASA Astrophysics Data System (ADS)

Plumer, M. L.; Almudallal, A. M.; Mercer, J. I.; Whitehead, J. P.; Fal, T. J.

The kinetic Monte Carlo (KMC) method developed for thermally activated magnetic reversal processes in single-layer recording media has been extended to study dual-layer Exchange Coupled Composition (ECC) media used in current and next generations of disc drives. The attempt frequency is derived from the Langer formalism with the saddle point determined using a variant of Bellman Ford algorithm. Complication (such as stagnation) arising from coupled grains having metastable states are addressed. MH-hysteresis loops are calculated over a wide range of anisotropy ratios, sweep rates and inter-layer coupling parameter. Results are compared with standard micromagnetics at fast sweep rates and experimental results at slow sweep rates.

Nonlinear Reduced-Order Simulation Using Stress-Free and Pre-Stressed Modal Bases

NASA Technical Reports Server (NTRS)

Przekop, Adam; Stover, Michael A.; Rizzi, Stephen A.

2009-01-01

A study is undertaken to determine the advantages and disadvantages associated with application of stress-free and pre-stressed modal bases in a reduced-order finite-element-based nonlinear simulation. A planar beam is chosen as an application example and its response due to combined thermal and random pressure loadings is examined. Combinations of two random pressure levels and two thermal conditions are investigated. The latter consists of an ambient temperature condition and an elevated temperature condition in the post-buckled regime. It is found that stress-free normal modes establish a broadly applicable modal basis yielding accurate results for all the loading regimes considered. In contrast, the range of applicability for a thermally pre-stressed modal basis is found to be limited. The behavior is explained by scrutinizing the coupling found in the linear stiffness and the effect this coupling has on the structural response characteristics under the range of loading conditions considered.

Theoretical analysis of microring resonator-based biosensor with high resolution and free of temperature influence

NASA Astrophysics Data System (ADS)

Jian, Aoqun; Zou, Lu; Tang, Haiquan; Duan, Qianqian; Ji, Jianlong; Zhang, Qianwu; Zhang, Xuming; Sang, Shengbo

2017-06-01

The issue of thermal effects is inevitable for the ultrahigh refractive index (RI) measurement. A biosensor with parallel-coupled dual-microring resonator configuration is proposed to achieve high resolution and free thermal effects measurement. Based on the coupled-resonator-induced transparency effect, the design and principle of the biosensor are introduced in detail, and the performance of the sensor is deduced by simulations. Compared to the biosensor based on a single-ring configuration, the designed biosensor has a 10-fold increased Q value according to the simulation results, thus the sensor is expected to achieve a particularly high resolution. In addition, the output signal of the mathematical model of the proposed sensor can eliminate the thermal influence by adopting an algorithm. This work is expected to have great application potentials in the areas of high-resolution RI measurement, such as biomedical discoveries, virus screening, and drinking water safety.

Computational homogenisation for thermoviscoplasticity: application to thermally sprayed coatings

NASA Astrophysics Data System (ADS)

Berthelsen, Rolf; Denzer, Ralf; Oppermann, Philip; Menzel, Andreas

2017-11-01

Metal forming processes require wear-resistant tool surfaces in order to ensure a long life cycle of the expensive tools together with a constant high quality of the produced components. Thermal spraying is a relatively widely applied coating technique for the deposit of wear protection coatings. During these coating processes, heterogeneous coatings are deployed at high temperatures followed by quenching where residual stresses occur which strongly influence the performance of the coated tools. The objective of this article is to discuss and apply a thermo-mechanically coupled simulation framework which captures the heterogeneity of the deposited coating material. Therefore, a two-scale finite element framework for the solution of nonlinear thermo-mechanically coupled problems is elaborated and applied to the simulation of thermoviscoplastic material behaviour including nonlinear thermal softening in a geometrically linearised setting. The finite element framework and material model is demonstrated by means of numerical examples.

Development of capability for microtopography-resolving simulations of hydrologic processes in permafrost affected regions

NASA Astrophysics Data System (ADS)

Painter, S.; Moulton, J. D.; Berndt, M.; Coon, E.; Garimella, R.; Lewis, K. C.; Manzini, G.; Mishra, P.; Travis, B. J.; Wilson, C. J.

2012-12-01

The frozen soils of the Arctic and subarctic regions contain vast amounts of stored organic carbon. This carbon is vulnerable to release to the atmosphere as temperatures warm and permafrost degrades. Understanding the response of the subsurface and surface hydrologic system to degrading permafrost is key to understanding the rate, timing, and chemical form of potential carbon releases to the atmosphere. Simulating the hydrologic system in degrading permafrost regions is challenging because of the potential for topographic evolution and associated drainage network reorganization as permafrost thaws and massive ground ice melts. The critical process models required for simulating hydrology include subsurface thermal hydrology of freezing/thawing soils, thermal processes within ice wedges, mechanical deformation processes, overland flow, and surface energy balances including snow dynamics. A new simulation tool, the Arctic Terrestrial Simulator (ATS), is being developed to simulate these coupled processes. The computational infrastructure must accommodate fully unstructured grids that track evolving topography, allow accurate solutions on distorted grids, provide robust and efficient solutions on highly parallel computer architectures, and enable flexibility in the strategies for coupling among the various processes. The ATS is based on Amanzi (Moulton et al. 2012), an object-oriented multi-process simulator written in C++ that provides much of the necessary computational infrastructure. Status and plans for the ATS including major hydrologic process models and validation strategies will be presented. Highly parallel simulations of overland flow using high-resolution digital elevation maps of polygonal patterned ground landscapes demonstrate the feasibility of the approach. Simulations coupling three-phase subsurface thermal hydrology with a simple thaw-induced subsidence model illustrate the strong feedbacks among the processes. D. Moulton, M. Berndt, M. Day, J. Meza, et al., High-Level Design of Amanzi, the Multi-Process High Performance Computing Simulator, Technical Report ASCEM-HPC-2011-03-1, DOE Environmental Management, 2012.

Comparison of fabric skins for the simulation of sweating on thermal manikins

NASA Astrophysics Data System (ADS)

Koelblen, Barbara; Psikuta, Agnes; Bogdan, Anna; Annaheim, Simon; Rossi, René M.

2017-09-01

Sweating is an important thermoregulatory process helping to dissipate heat and, thus, to prevent overheating of the human body. Simulations of human thermo-physiological responses in hot conditions or during exercising are helpful for assessing heat stress; however, realistic sweating simulation and evaporative cooling is needed. To this end, thermal manikins dressed with a tight fabric skin can be used, and the properties of this skin should help human-like sweat evaporation simulation. Four fabrics, i.e., cotton with elastane, polyester, polyamide with elastane, and a skin provided by a manikin manufacturer (Thermetrics) were compared in this study. The moisture management properties of the fabrics have been investigated in basic tests with regard to all phases of sweating relevant for simulating human thermo-physiological responses, namely, onset of sweating, fully developed sweating, and drying. The suitability of the fabrics for standard tests, such as clothing evaporative resistance measurements, was evaluated based on tests corresponding to the middle phase of sweating. Simulations with a head manikin coupled to a thermo-physiological model were performed to evaluate the overall performance of the skins. The results of the study showed that three out of four evaluated fabrics have adequate moisture management properties with regard to the simulation of sweating, which was confirmed in the coupled simulation with the head manikin. The presented tests are helpful for comparing the efficiency of different fabrics to simulate sweat-induced evaporative cooling on thermal manikins.

Spatial layout optimization design of multi-type LEDs lighting source based on photoelectrothermal coupling theory

NASA Astrophysics Data System (ADS)

Xue, Lingyun; Li, Guang; Chen, Qingguang; Rao, Huanle; Xu, Ping

2018-03-01

Multiple LED-based spectral synthesis technology has been widely used in the fields of solar simulator, color mixing, and artificial lighting of plant factory and so on. Generally, amounts of LEDs are spatially arranged with compact layout to obtain the high power density output. Mutual thermal spreading among LEDs will produce the coupled thermal effect which will additionally increase the junction temperature of LED. Affected by the Photoelectric thermal coupling effect of LED, the spectrum of LED will shift and luminous efficiency will decrease. Correspondingly, the spectral synthesis result will mismatch. Therefore, thermal management of LED spatial layout plays an important role for multi-LEDs light source system. In the paper, the thermal dissipation network topology model considering the mutual thermal spreading effect among the LEDs is proposed for multi-LEDs system with various types of power. The junction temperature increment cased by the thermal coupling has the great relation with the spatial arrangement. To minimize the thermal coupling effect, an optimized method of LED spatial layout for the specific light source structure is presented and analyzed. The results showed that layout of LED with high-power are arranged in the corner and low-power in the center. Finally, according to this method, it is convenient to determine the spatial layout of LEDs in a system having any kind of light source structure, and has the advantages of being universally applicable to facilitate adjustment.

Use of advanced modeling techniques to optimize thermal packaging designs.

PubMed

Formato, Richard M; Potami, Raffaele; Ahmed, Iftekhar

2010-01-01

Through a detailed case study the authors demonstrate, for the first time, the capability of using advanced modeling techniques to correctly simulate the transient temperature response of a convective flow-based thermal shipper design. The objective of this case study was to demonstrate that simulation could be utilized to design a 2-inch-wall polyurethane (PUR) shipper to hold its product box temperature between 2 and 8 °C over the prescribed 96-h summer profile (product box is the portion of the shipper that is occupied by the payload). Results obtained from numerical simulation are in excellent agreement with empirical chamber data (within ±1 °C at all times), and geometrical locations of simulation maximum and minimum temperature match well with the corresponding chamber temperature measurements. Furthermore, a control simulation test case was run (results taken from identical product box locations) to compare the coupled conduction-convection model with a conduction-only model, which to date has been the state-of-the-art method. For the conduction-only simulation, all fluid elements were replaced with "solid" elements of identical size and assigned thermal properties of air. While results from the coupled thermal/fluid model closely correlated with the empirical data (±1 °C), the conduction-only model was unable to correctly capture the payload temperature trends, showing a sizeable error compared to empirical values (ΔT > 6 °C). A modeling technique capable of correctly capturing the thermal behavior of passively refrigerated shippers can be used to quickly evaluate and optimize new packaging designs. Such a capability provides a means to reduce the cost and required design time of shippers while simultaneously improving their performance. Another advantage comes from using thermal modeling (assuming a validated model is available) to predict the temperature distribution in a shipper that is exposed to ambient temperatures which were not bracketed during its validation. Thermal packaging is routinely used by the pharmaceutical industry to provide passive and active temperature control of their thermally sensitive products from manufacture through end use (termed the cold chain). In this study, the authors focus on passive temperature control (passive control does not require any external energy source and is entirely based on specific and/or latent heat of shipper components). As temperature-sensitive pharmaceuticals are being transported over longer distances, cold chain reliability is essential. To achieve reliability, a significant amount of time and resources must be invested in design, test, and production of optimized temperature-controlled packaging solutions. To shorten the cumbersome trial and error approach (design/test/design/test …), computer simulation (virtual prototyping and testing of thermal shippers) is a promising method. Although several companies have attempted to develop such a tool, there has been limited success to date. Through a detailed case study the authors demonstrate, for the first time, the capability of using advanced modeling techniques to correctly simulate the transient temperature response of a coupled conductive/convective-based thermal shipper. A modeling technique capable of correctly capturing shipper thermal behavior can be used to develop packaging designs more quickly, reducing up-front costs while also improving shipper performance.

Modeling of the T S D E Heater Test to Investigate Crushed Salt Reconsolidation and Rock Salt Creep for the Underground Disposal of High-Level Nuclear Waste

NASA Astrophysics Data System (ADS)

Blanco Martin, L.; Rutqvist, J.; Birkholzer, J. T.; Wolters, R.; Lux, K. H.

2014-12-01

Rock salt is a potential medium for the underground disposal of nuclear waste because it has several assets, in particular its water and gas tightness in the undisturbed state, its ability to heal induced fractures and its high thermal conductivity as compared to other shallow-crustal rocks. In addition, the run-of-mine, granular salt, may be used to backfill the mined open spaces. We present simulation results associated with coupled thermal, hydraulic and mechanical processes in the TSDE (Thermal Simulation for Drift Emplacement) experiment, conducted in the Asse salt mine in Germany [1]. During this unique test, conceived to simulate reference repository conditions for spent nuclear fuel, a significant amount of data (temperature, stress changes and displacements, among others) was measured at 20 cross-sections, distributed in two drifts in which a total of six electrical heaters were emplaced. The drifts were subsequently backfilled with crushed salt. This test has been modeled in three-dimensions, using two sequential simulators for flow (mass and heat) and geomechanics, TOUGH-FLAC and FLAC-TOUGH [2]. These simulators have recently been updated to accommodate large strains and time-dependent rheology. The numerical predictions obtained by the two simulators are compared within the framework of an international benchmark exercise, and also with experimental data. Subsequently, a re-calibration of some parameters has been performed. Modeling coupled processes in saliniferous media for nuclear waste disposal is a novel approach, and in this study it has led to the determination of some creep parameters that are very difficult to assess at the laboratory-scale because they require extremely low strain rates. Moreover, the results from the benchmark are very satisfactory and validate the capabilities of the two simulators used to study coupled thermal, mechanical and hydraulic (multi-component, multi-phase) processes relative to the underground disposal of high-level nuclear waste in rock salt. References: [1] Bechthold et al., 1999. BAMBUS-I Project. Euratom, Report EUR19124-EN. [2] Blanco Martín et al., 2014. Comparison of two sequential simulators to investigate thermal-hydraulic-mechanical processes related to nuclear waste isolation in saliniferous formations. In preparation.

Simulation and experimental comparison of the thermo-mechanical history and 3D microstructure evolution of 304L stainless steel tubes manufactured using LENS

NASA Astrophysics Data System (ADS)

Johnson, Kyle L.; Rodgers, Theron M.; Underwood, Olivia D.; Madison, Jonathan D.; Ford, Kurtis R.; Whetten, Shaun R.; Dagel, Daryl J.; Bishop, Joseph E.

2018-05-01

Additive manufacturing enables the production of previously unachievable designs in conjunction with time and cost savings. However, spatially and temporally fluctuating thermal histories can lead to residual stress states and microstructural variations that challenge conventional assumptions used to predict part performance. Numerical simulations offer a viable way to explore the root causes of these characteristics, and can provide insight into methods of controlling them. Here, the thermal history of a 304L stainless steel cylinder produced using the Laser Engineered Net Shape process is simulated using finite element analysis (FEA). The resultant thermal history is coupled to both a solid mechanics FEA simulation to predict residual stress and a kinetic Monte Carlo model to predict the three-dimensional grain structure evolution. Experimental EBSD measurements of grain structure and in-process infrared thermal data are compared to the predictions.

Simulation and experimental comparison of the thermo-mechanical history and 3D microstructure evolution of 304L stainless steel tubes manufactured using LENS

NASA Astrophysics Data System (ADS)

Johnson, Kyle L.; Rodgers, Theron M.; Underwood, Olivia D.; Madison, Jonathan D.; Ford, Kurtis R.; Whetten, Shaun R.; Dagel, Daryl J.; Bishop, Joseph E.

2017-12-01

Additive manufacturing enables the production of previously unachievable designs in conjunction with time and cost savings. However, spatially and temporally fluctuating thermal histories can lead to residual stress states and microstructural variations that challenge conventional assumptions used to predict part performance. Numerical simulations offer a viable way to explore the root causes of these characteristics, and can provide insight into methods of controlling them. Here, the thermal history of a 304L stainless steel cylinder produced using the Laser Engineered Net Shape process is simulated using finite element analysis (FEA). The resultant thermal history is coupled to both a solid mechanics FEA simulation to predict residual stress and a kinetic Monte Carlo model to predict the three-dimensional grain structure evolution. Experimental EBSD measurements of grain structure and in-process infrared thermal data are compared to the predictions.

Shear Heating-Induced Thermal Pressurization During the Nucleation of Earthquakes

NASA Astrophysics Data System (ADS)

Schmitt, S. V.; Segall, P.

2008-12-01

Shear heating-induced thermal pressurization has long been posited as a weakening mechanism during earthquakes. It is often assumed that thermal pressurization does not become important until earthquakes become moderate to large in magnitude. Schmitt et al. [AGU, 2007] confirmed the estimate of Segall and Rice [JGR, 2006] that thermal pressurization becomes dominant during the quasi-static nucleation phase by conducting 2D numerical simulations that account for full thermomechanical coupling, with rate and state dependent friction. In that work, thermal pressurization becomes the dominant weakening mechanism at slip rates of 10-5 to 10-3 m/s, depending on the fault zone hydraulic diffusivity. Interestingly, the thermal pressurization process leads to a contraction of the nucleation zone, rather than the growing crack (aging law) or unidirectional slip pulse (slip law) associated with drained rate- and state-dependent frictional nucleation. The results of Schmitt et al. [AGU, 2007] had a shortcoming in that the principal slip surface was treated as a zero-width feature, while in reality it should be a finite-width shear zone. We address that shortcoming with a new set of numerical simulations. We assume a finite-width fault governed by rate and state friction with the radiation damping approximation to simulate inertial effects. Both thermal and hydraulic diffusion are computed via finite differences on separate, coupled grids that adaptively remesh to minimize computational expense while maintaining accuracy. New results suggest that the thermal pressurization effect is modestly reduced by including the finite thickness of the shear zone. Despite the reduction in the effect, the new results still indicate that (1) thermal pressurization is important before seismic slip and (2) thermal pressurization restricts growth of the nucleation zone.

Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr 4 S 8

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pokharel, G.; May, A. F.; Parker, D. S.

In this paper, the physical properties of the spinel LiGaCr 4S 8 have been studied with neutron diffraction, x-ray diffraction, magnetic susceptibility, and heat capacity measurements. The neutron diffraction and synchrotron x-ray diffraction data reveal negative thermal expansion (NTE) below 111(4) K. The magnetic susceptibility deviates from Curie-Weiss behavior with the onset of NTE. At low temperature a broad peak in the magnetic susceptibility at 10.3(3) K is accompanied by the return of normal thermal expansion. First-principles calculations find a strong coupling between the lattice and the simulated magnetic ground state. Finally, these results indicate strong magnetoelastic coupling in LiGaCrmore » 4S 8.« less

Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr 4 S 8

DOE PAGES

Pokharel, G.; May, A. F.; Parker, D. S.; ...

2018-04-30

In this paper, the physical properties of the spinel LiGaCr 4S 8 have been studied with neutron diffraction, x-ray diffraction, magnetic susceptibility, and heat capacity measurements. The neutron diffraction and synchrotron x-ray diffraction data reveal negative thermal expansion (NTE) below 111(4) K. The magnetic susceptibility deviates from Curie-Weiss behavior with the onset of NTE. At low temperature a broad peak in the magnetic susceptibility at 10.3(3) K is accompanied by the return of normal thermal expansion. First-principles calculations find a strong coupling between the lattice and the simulated magnetic ground state. Finally, these results indicate strong magnetoelastic coupling in LiGaCrmore » 4S 8.« less

Using a conformal water bolus to adjust heating patterns of microwave waveguide applicators

NASA Astrophysics Data System (ADS)

Stauffer, Paul R.; Rodrigues, Dario B.; Sinahon, Randolf; Sbarro, Lyndsey; Beckhoff, Valeria; Hurwitz, Mark D.

2017-02-01

Background: Hyperthermia, i.e., raising tissue temperature to 40-45°C for 60 min, has been demonstrated to increase the effectiveness of radiation and chemotherapy for cancer. Although multi-element conformal heat applicators are under development to provide more adjustable heating of contoured anatomy, to date the most often used applicator to heat superficial disease is the simple microwave waveguide. With only a single power input, the operator must be resourceful to adjust heat treatment to accommodate variable size and shape tumors spreading across contoured anatomy. Methods: We used multiphysics simulation software that couples electromagnetic, thermal and fluid dynamics physics to simulate heating patterns in superficial tumors from commercially available microwave waveguide applicators. Temperature distributions were calculated inside homogenous muscle and layered skin-fat-muscle-tumor-bone tissue loads for a typical range of applicator coupling configurations and size of waterbolus. Variable thickness waterbolus was simulated as necessary to accommodate contoured anatomy. Physical models of several treatment configurations were constructed for comparison of simulation results with experimental specific absorption rate (SAR) measurements in homogenous muscle phantom. Results: Accuracy of the simulation model was confirmed with experimental SAR measurements of three unique applicator setups. Simulations demonstrated the ability to generate a wide range of power deposition patterns with commercially available waveguide antennas by controllably varying size and thickness of the waterbolus layer. Conclusion: Heating characteristics of 915 MHz waveguide antennas can be varied over a wide range by controlled adjustment of microwave power, coupling configuration, and waterbolus lateral size and thickness. The uniformity of thermal dose delivered to superficial tumors can be improved by cyclic switching of waterbolus thickness during treatment to proactively shift heat peaks and nulls around under the aperture, thereby reducing patient pain while increasing minimum thermal dose by end of treatment.

Three-Dimensional Coupled Dynamics of The Two-Fluid Model in Superfluid 4He: Deformed Velocity Profile of Normal Fluid in Thermal Counterflow

NASA Astrophysics Data System (ADS)

Yui, Satoshi; Tsubota, Makoto; Kobayashi, Hiromichi

2018-04-01

The coupled dynamics of the two-fluid model of superfluid 4He is numerically studied for quantum turbulence of the thermal counterflow in a square channel. We combine the vortex filament model of the superfluid and the Navier-Stokes equations of normal fluid. Simulations of the coupled dynamics show that the velocity profile of the normal fluid is deformed significantly by superfluid turbulence as the vortices become dense. This result is consistent with recently performed visualization experiments. We introduce a dimensionless parameter that characterizes the deformation of the velocity profile.

Three-dimensional fully-coupled electrical and thermal transport model of dynamic switching in oxide memristors

DOE PAGES

Gao, Xujiao; Mamaluy, Denis; Mickel, Patrick R.; ...

2015-09-08

In this paper, we present a fully-coupled electrical and thermal transport model for oxide memristors that solves simultaneously the time-dependent continuity equations for all relevant carriers, together with the time-dependent heat equation including Joule heating sources. The model captures all the important processes that drive memristive switching and is applicable to simulate switching behavior in a wide range of oxide memristors. The model is applied to simulate the ON switching in a 3D filamentary TaOx memristor. Simulation results show that, for uniform vacancy density in the OFF state, vacancies fill in the conduction filament till saturation, and then fill outmore » a gap formed in the Ta electrode during ON switching; furthermore, ON-switching time strongly depends on applied voltage and the ON-to-OFF current ratio is sensitive to the filament vacancy density in the OFF state.« less

Rayleigh-Benard turbulence modified by two-way coupled particles

NASA Astrophysics Data System (ADS)

Park, Hyungwon; O'Keefe, Kevin; Richter, David

2017-11-01

Direct numerical simulation (DNS) with Lagrangian point particles is used to study Rayleigh-Bénard convection to understand modifications due to the interaction of inertial particle, gauged by the turbulent kinetic energy (TKE) and Nusselt number (Nu). The initially dispersed particles experience gravitational settling, and become introduced at the lower wall such that turbulence must overcome the settling velocity for the particles to vertically distribute throughout the domain. The particle properties of interest are inertia, as characterized by the Stokes number, and settling velocity. Furthermore, individual contributions by the momentum-coupling and thermal-coupling are studied to see which most significantly changes Nu and TKE. Our results show that particles with Stokes number of order unity maximize Nu, corresponding to a peak of clustering and attenuation of TKE. It is also shown that particles two-way coupled only through momentum attenuate Nu and weaken TKE, while thermal-only coupling also weakens TKE but enhances Nu. When both couplings are present, however, thermal coupling overwhelms the attenuation caused by momentum coupling and the net result is an enhancement of Nu. NSF - Grant No. AGS-1429921, ONR - Grant No. N00014-16-1-2472, and Notre Dame Center for Research Computing.

Magnon and phonon dispersion, lifetime, and thermal conductivity of iron from spin-lattice dynamics simulations

NASA Astrophysics Data System (ADS)

Wu, Xufei; Liu, Zeyu; Luo, Tengfei

2018-02-01

In recent years, the fundamental physics of spin-lattice (e.g., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics, spin-caloritronics, and spintronics. Modelling studies of the transport of magnons and phonons in magnetic crystals are very rare. In this paper, we use spin-lattice dynamics (SLD) simulations to model ferromagnetic crystalline iron, where the spin and lattice systems are coupled through the atomic position-dependent exchange function, and thus the interaction between magnons and phonons is naturally considered. We then present a method combining SLD simulations with spectral energy analysis to calculate the magnon and phonon harmonic (e.g., dispersion, specific heat, and group velocity) and anharmonic (e.g., scattering rate) properties, based on which their thermal conductivity values are calculated. This work represents an example of using SLD simulations to understand the transport properties involving coupled magnon and phonon dynamics.

Coupled multi-disciplinary simulation of composite engine structures in propulsion environment

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Singhal, Surendra N.

1992-01-01

A computational simulation procedure is described for the coupled response of multi-layered multi-material composite engine structural components which are subjected to simultaneous multi-disciplinary thermal, structural, vibration, and acoustic loadings including the effect of hostile environments. The simulation is based on a three dimensional finite element analysis technique in conjunction with structural mechanics codes and with acoustic analysis methods. The composite material behavior is assessed at the various composite scales, i.e., the laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization model. Sample cases exhibiting nonlinear geometrical, material, loading, and environmental behavior of aircraft engine fan blades, are presented. Results for deformed shape, vibration frequency, mode shapes, and acoustic noise emitted from the fan blade, are discussed for their coupled effect in hot and humid environments. Results such as acoustic noise for coupled composite-mechanics/heat transfer/structural/vibration/acoustic analyses demonstrate the effectiveness of coupled multi-disciplinary computational simulation and the various advantages of composite materials compared to metals.

Multi-sector thermo-physiological head simulator for headgear research.

PubMed

Martinez, Natividad; Psikuta, Agnes; Corberán, José Miguel; Rossi, René M; Annaheim, Simon

2017-02-01

A novel thermo-physiological human head simulator for headgear testing was developed by coupling a thermal head manikin with a thermo-physiological model. As the heat flux at head-site is directly measured by the head manikin, this method provides a realistic quantification of the heat transfer phenomena occurring in the headgear, such as moisture absorption-desorption cycles, condensation, or moisture migration across clothing layers. Before coupling, the opportunities of the head manikin for representing the human physiology were evaluated separately. The evaluation revealed reduced precision in forehead and face temperature predictions under extreme heterogeneous temperature distributions and no initial limitation for simulating temperature changes observed in the human physiology. The thermo-physiological model predicted higher sweat rates when applied for coupled than for pure virtual simulations. After coupling, the thermo-physiological human head simulator was validated using eight human experiments. It precisely predicted core, mean skin, and forehead temperatures with average rmsd values within the average experimental standard deviation (rmsd of 0.20 ± 0.15, 0.83 ± 0.34, and 1.04 ± 0.54 °C, respectively). However, in case of forehead, precision was lower for the exposures including activity than for the sedentary exposures. The representation of the human sweat evaporation could be affected by a reduced evaporation efficiency and the manikin sweat dynamics. The industry will benefit from this thermo-physiological human head simulator leading to the development of helmet designs with enhanced thermal comfort and, therefore, with higher acceptance by users.

Thermal Ablation Modeling for Silicate Materials

NASA Technical Reports Server (NTRS)

Chen, Yih-Kanq

2016-01-01

A general thermal ablation model for silicates is proposed. The model includes the mass losses through the balance between evaporation and condensation, and through the moving molten layer driven by surface shear force and pressure gradient. This model can be applied in the ablation simulation of the meteoroid and the glassy ablator for spacecraft Thermal Protection Systems. Time-dependent axisymmetric computations are performed by coupling the fluid dynamics code, Data-Parallel Line Relaxation program, with the material response code, Two-dimensional Implicit Thermal Ablation simulation program, to predict the mass lost rates and shape change. The predicted mass loss rates will be compared with available data for model validation, and parametric studies will also be performed for meteoroid earth entry conditions.

Coupled electromagnetic-thermodynamic simulations of microwave heating problems using the FDTD algorithm.

PubMed

Kopyt, Paweł; Celuch, Małgorzata

2007-01-01

A practical implementation of a hybrid simulation system capable of modeling coupled electromagnetic-thermodynamic problems typical in microwave heating is described. The paper presents two approaches to modeling such problems. Both are based on an FDTD-based commercial electromagnetic solver coupled to an external thermodynamic analysis tool required for calculations of heat diffusion. The first approach utilizes a simple FDTD-based thermal solver while in the second it is replaced by a universal commercial CFD solver. The accuracy of the two modeling systems is verified against the original experimental data as well as the measurement results available in literature.

Coupled Structural, Thermal, Phase-Change and Electromagnetic Analysis for Superconductors. Volume 1

NASA Technical Reports Server (NTRS)

Felippa, C. A.; Farhat, C.; Park, K. C.; Militello, C.; Schuler, J. J.

1996-01-01

Described are the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromagnetic subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase-change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements, (2) finite element modeling of the electromagnetic problem, (3) coupling of thermal and mechanical effects, and (4) computer implementation and solution of the superconductivity transition problem. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles, (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements, and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects, and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The theoretical development is described in two volumes. This volume, Volume 1, describes mostly formulations for specific problems. Volume 2 describes generalization of those formulations.

Heat transport and coupling modes in Rayleigh-Bénard convection occurring between two layers with largely different viscosities

NASA Astrophysics Data System (ADS)

Yoshida, Masaki; Iwamori, Hikaru; Hamano, Yozo; Suetsugu, Daisuke

2017-09-01

A high-resolution numerical simulation model in two-dimensional cylindrical geometry was used to discuss the heat transport and coupling modes in two-layer Rayleigh-Bénard convection with a high Rayleigh number (up to the order of 109), an infinite Prandtl number, and large viscosity contrasts (up to 10-3) between an outer, highly viscous layer (HVL) and an inner, low-viscosity layer (LVL). In addition to mechanical and thermal interaction across the HVL-LVL interface, which has been investigated by Yoshida and Hamano ["Numerical studies on the dynamics of two-layer Rayleigh-Bénard convection with an infinite Prandtl number and large viscosity contrasts," Phys. Fluids 28(11), 116601 (2016)], the spatiotemporal analysis in this study provides new insights into (1) heat transport over the entire system between the bottom of the LVL and the top of the HVL, in particular that associated with thermal plumes, and (2) the convection regime and coupling mode of the two layers, including the transition mechanism between the mechanical coupling mode at relatively low viscosity contrasts and the thermal coupling mode at higher viscosity contrasts. Although flow in the LVL is highly time-dependent, it shares the spatially opposite/same flow pattern synchronized to the nearly stationary upwelling and downwelling plumes in the HVL, corresponding to the mechanical/thermal coupling mode. In the transitional regime between the mechanical and thermal coupling modes, the LVL exhibits periodical switching between the two phases (i.e., the mechanical and thermal coupling phases) with a stagnant period. A detailed inspection revealed that the switching was initiated by the instability in the uppermost boundary layer of the LVL. These results suggest that convection in the highly viscous mantle of the Earth controls that of the extremely low-viscosity outer core in a top-down manner under the thermal coupling mode, which may support a scenario of top-down hemispherical dynamics proposed by the recent geochemical study.

Numerical simulation of gas-phonon coupling in thermal transpiration flows.

PubMed

Guo, Xiaohui; Singh, Dhruv; Murthy, Jayathi; Alexeenko, Alina A

2009-10-01

Thermal transpiration is a rarefied gas flow driven by a wall temperature gradient and is a promising mechanism for gas pumping without moving parts, known as the Knudsen pump. Obtaining temperature measurements along capillary walls in a Knudsen pump is difficult due to extremely small length scales. Meanwhile, simplified analytical models are not applicable under the practical operating conditions of a thermal transpiration device, where the gas flow is in the transitional rarefied regime. Here, we present a coupled gas-phonon heat transfer and flow model to study a closed thermal transpiration system. Discretized Boltzmann equations are solved for molecular transport in the gas phase and phonon transport in the solid. The wall temperature distribution is the direct result of the interfacial coupling based on mass conservation and energy balance at gas-solid interfaces and is not specified a priori unlike in the previous modeling efforts. Capillary length scales of the order of phonon mean free path result in a smaller temperature gradient along the transpiration channel as compared to that predicted by the continuum solid-phase heat transfer. The effects of governing parameters such as thermal gradients, capillary geometry, gas and phonon Knudsen numbers and, gas-surface interaction parameters on the efficiency of thermal transpiration are investigated in light of the coupled model.

Coupled Structural, Thermal, Phase-change and Electromagnetic Analysis for Superconductors, Volume 2

NASA Technical Reports Server (NTRS)

Felippa, C. A.; Farhat, C.; Park, K. C.; Militello, C.; Schuler, J. J.

1996-01-01

Described are the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromag subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements, (2) finite element modeling of the electromagnetic problem, (3) coupling of thermel and mechanical effects, and (4) computer implementation and solution of the superconductivity transition problem. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles, (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements, and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects, and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The theoretical development is described in two volumes. Volume 1 describes mostly formulation specific problems. Volume 2 describes generalization of those formulations.

Development of Multi-physics (Multiphase CFD + MCNP) simulation for generic solution vessel power calculation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Seung Jun; Buechler, Cynthia Eileen

The current study aims to predict the steady state power of a generic solution vessel and to develop a corresponding heat transfer coefficient correlation for a Moly99 production facility by conducting a fully coupled multi-physics simulation. A prediction of steady state power for the current application is inherently interconnected between thermal hydraulic characteristics (i.e. Multiphase computational fluid dynamics solved by ANSYS-Fluent 17.2) and the corresponding neutronic behavior (i.e. particle transport solved by MCNP6.2) in the solution vessel. Thus, the development of a coupling methodology is vital to understand the system behavior at a variety of system design and postulated operatingmore » scenarios. In this study, we report on the k-effective (keff) calculation for the baseline solution vessel configuration with a selected solution concentration using MCNP K-code modeling. The associated correlation of thermal properties (e.g. density, viscosity, thermal conductivity, specific heat) at the selected solution concentration are developed based on existing experimental measurements in the open literature. The numerical coupling methodology between multiphase CFD and MCNP is successfully demonstrated, and the detailed coupling procedure is documented. In addition, improved coupling methods capturing realistic physics in the solution vessel thermal-neutronic dynamics are proposed and tested further (i.e. dynamic height adjustment, mull-cell approach). As a key outcome of the current study, a multi-physics coupling methodology between MCFD and MCNP is demonstrated and tested for four different operating conditions. Those different operating conditions are determined based on the neutron source strength at a fixed geometry condition. The steady state powers for the generic solution vessel at various operating conditions are reported, and a generalized correlation of the heat transfer coefficient for the current application is discussed. The assessment of multi-physics methodology and preliminary results from various coupled calculations (power prediction and heat transfer coefficient) can be further utilized for the system code validation and generic solution vessel design improvement.« less

Coupled field effects in BWR stability simulations using SIMULATE-3K

DOE Office of Scientific and Technical Information (OSTI.GOV)

Borkowski, J.; Smith, K.; Hagrman, D.

1996-12-31

The SIMULATE-3K code is the transient analysis version of the Studsvik advanced nodal reactor analysis code, SIMULATE-3. Recent developments have focused on further broadening the range of transient applications by refinement of core thermal-hydraulic models and on comparison with boiling water reactor (BWR) stability measurements performed at Ringhals unit 1, during the startups of cycles 14 through 17.

Modeling thermal dynamics of active layer soils and near-surface permafrost using a fully coupled water and heat transport model

USGS Publications Warehouse

Jiang, Yueyang; Zhuang, Qianlai; O'Donnell, Jonathan A.

2012-01-01

Thawing and freezing processes are key components in permafrost dynamics, and these processes play an important role in regulating the hydrological and carbon cycles in the northern high latitudes. In the present study, we apply a well-developed soil thermal model that fully couples heat and water transport, to simulate the thawing and freezing processes at daily time steps across multiple sites that vary with vegetation cover, disturbance history, and climate. The model performance was evaluated by comparing modeled and measured soil temperatures at different depths. We use the model to explore the influence of climate, fire disturbance, and topography (north- and south-facing slopes) on soil thermal dynamics. Modeled soil temperatures agree well with measured values for both boreal forest and tundra ecosystems at the site level. Combustion of organic-soil horizons during wildfire alters the surface energy balance and increases the downward heat flux through the soil profile, resulting in the warming and thawing of near-surface permafrost. A projection of 21st century permafrost dynamics indicates that as the climate warms, active layer thickness will likely increase to more than 3 meters in the boreal forest site and deeper than one meter in the tundra site. Results from this coupled heat-water modeling approach represent faster thaw rates than previously simulated in other studies. We conclude that the discussed soil thermal model is able to well simulate the permafrost dynamics and could be used as a tool to analyze the influence of climate change and wildfire disturbance on permafrost thawing.

Coupled structural/thermal/electromagnetic analysis/tailoring of graded composite structures

NASA Technical Reports Server (NTRS)

Hartle, M. S.; Mcknight, R. L.; Huang, H.; Holt, R.

1992-01-01

Described here are the accomplishments of a 5-year program to develop a methodology for coupled structural, thermal, electromagnetic analysis tailoring of graded component structures. The capabilities developed over the course of the program are the analyzer module and the tailoring module for the modeling of graded materials. Highlighted accomplishments for the past year include the addition of a buckling analysis capability, the addition of mode shape slope calculation for flutter analysis, verification of the analysis modules using simulated components, and verification of the tailoring module.

Thermal transport in dimerized harmonic lattices: Exact solution, crossover behavior, and extended reservoirs

NASA Astrophysics Data System (ADS)

Chien, Chih-Chun; Kouachi, Said; Velizhanin, Kirill A.; Dubi, Yonatan; Zwolak, Michael

2017-01-01

We present a method for calculating analytically the thermal conductance of a classical harmonic lattice with both alternating masses and nearest-neighbor couplings when placed between individual Langevin reservoirs at different temperatures. The method utilizes recent advances in analytic diagonalization techniques for certain classes of tridiagonal matrices. It recovers the results from a previous method that was applicable for alternating on-site parameters only, and extends the applicability to realistic systems in which masses and couplings alternate simultaneously. With this analytic result in hand, we show that the thermal conductance is highly sensitive to the modulation of the couplings. This is due to the existence of topologically induced edge modes at the lattice-reservoir interface and is also a reflection of the symmetries of the lattice. We make a connection to a recent work that demonstrates thermal transport is analogous to chemical reaction rates in solution given by Kramers' theory [Velizhanin et al., Sci. Rep. 5, 17506 (2015)], 10.1038/srep17506. In particular, we show that the turnover behavior in the presence of edge modes prevents calculations based on single-site reservoirs from coming close to the natural—or intrinsic—conductance of the lattice. Obtaining the correct value of the intrinsic conductance through simulation of even a small lattice where ballistic effects are important requires quite large extended reservoir regions. Our results thus offer a route for both the design and proper simulation of thermal conductance of nanoscale devices.

Design and simulation of liquid cooled system for power battery of PHEV

NASA Astrophysics Data System (ADS)

Wang, Jianpeng; Xu, Haijun; Xu, Xiaojun; Pan, Cunyun

2017-09-01

Various battery chemistries have different responses to failure, but the most common failure mode of a cell under abusive conditions is the generation of heat and gas. To prevent battery thermal abuse, a battery thermal management system is essential. An excellent design of battery thermal management system can ensure that the battery is working at a suitable temperature and keeps the battery temperature diffenence at 2-3 °C. This paper presents a thermal-elcetric coupling model for a 37Ah lithium battery using AMESim. A liquid cooled system of hybrid electric vehicle power battery is designed to control the battery temperature.A liquid cooled model of thermal management system is built using AMESim, the simulation results showed that the temperature difference within 3°C of cell in the pack.

Efficient Numerical Simulation of Aerothermoelastic Hypersonic Vehicles

NASA Astrophysics Data System (ADS)

Klock, Ryan J.

Hypersonic vehicles operate in a high-energy flight environment characterized by high dynamic pressures, high thermal loads, and non-equilibrium flow dynamics. This environment induces strong fluid, thermal, and structural dynamics interactions that are unique to this flight regime. If these vehicles are to be effectively designed and controlled, then a robust and intuitive understanding of each of these disciplines must be developed not only in isolation, but also when coupled. Limitations on scaling and the availability of adequate test facilities mean that physical investigation is infeasible. Ever growing computational power offers the ability to perform elaborate numerical simulations, but also has its own limitations. The state of the art in numerical simulation is either to create ever more high-fidelity physics models that do not couple well and require too much processing power to consider more than a few seconds of flight, or to use low-fidelity analytical models that can be tightly coupled and processed quickly, but do not represent realistic systems due to their simplifying assumptions. Reduced-order models offer a middle ground by distilling the dominant trends of high-fidelity training solutions into a form that can be quickly processed and more tightly coupled. This thesis presents a variably coupled, variable-fidelity, aerothermoelastic framework for the simulation and analysis of high-speed vehicle systems using analytical, reduced-order, and surrogate modeling techniques. Full launch-to-landing flights of complete vehicles are considered and used to define flight envelopes with aeroelastic, aerothermal, and thermoelastic limits, tune in-the-loop flight controllers, and inform future design considerations. A partitioned approach to vehicle simulation is considered in which regions dominated by particular combinations of processes are made separate from the overall solution and simulated by a specialized set of models to improve overall processing speed and overall solution fidelity. A number of enhancements to this framework are made through 1. the implementation of a publish-subscribe code architecture for rapid prototyping of physics and process models. 2. the implementation of a selection of linearization and model identification methods including high-order pseudo-time forward difference, complex-step, and direct identification from ordinary differential equation inspection. 3. improvements to the aeroheating and thermal models with non-equilibrium gas dynamics and generalized temperature dependent material thermal properties. A variety of model reduction and surrogate model techniques are applied to a representative hypersonic vehicle on a terminal trajectory to enable complete aerothermoelastic flight simulations. Multiple terminal trajectories of various starting altitudes and Mach numbers are optimized to maximize final kinetic energy of the vehicle upon reaching the surface. Surrogate models are compared to represent the variation of material thermal properties with temperature. A new method is developed and shown to be both accurate and computationally efficient. While the numerically efficient simulation of high-speed vehicles is developed within the presented framework, the goal of real time simulation is hampered by the necessity of multiple nested convergence loops. An alternative all-in-one surrogate model method is developed based on singular-value decomposition and regression that is near real time. Finally, the aeroelastic stability of pressurized cylindrical shells is investigated in the context of a maneuvering axisymmetric high-speed vehicle. Moderate internal pressurization is numerically shown to decrease stability, as showed experimentally in the literature, yet not well reproduced analytically. Insights are drawn from time simulation results and used to inform approaches for future vehicle model development.

Campaign 2 Level 2 Milestone Review 2009: Milestone # 3131 Grain Scale Simulation of Pore Collapse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwartz, A J

2009-09-28

The milestone reviewed on Sept. 16, 2009 was 'High-fidelity simulation of shock initiation of high explosives at the grain scale using coupled hydrodynamics, thermal transport and chemistry'. It is the opinion of the committee that the team has satisfied the milestone. A detailed description of how the goals were met is provided. The milestone leveraged capabilities from ASC Physics and Engineering Materials program combined with experimental input from Campaign 2. A combined experimental-multiscale simulation approach was used to create and validate the various TATB model components. At the lowest length scale, quantum chemical calculations were used to determine equations ofmore » state, thermal transport properties and reaction rates for TATB as it is decomposing. High-pressure experiments conducted in diamond anvil cells, gas guns and the Z machine were used to validate the EOS, thermal conductivity, specific heat and predictions of water formation. The predicted reaction networks and chemical kinetic equations were implemented in Cheetah and validated against the lower length scale data. Cheetah was then used within the ASC code ALE3D for high-resolution, thermo-mechanically coupled simulations of pore collapse at the micron size scale to predict conditions for detonation initiation.« less

Advanced Coupled Simulation of Borehole Thermal Energy Storage Systems and Above Ground Installations

NASA Astrophysics Data System (ADS)

Welsch, Bastian; Rühaak, Wolfram; Schulte, Daniel O.; Bär, Kristian; Sass, Ingo

2016-04-01

Seasonal thermal energy storage in borehole heat exchanger arrays is a promising technology to reduce primary energy consumption and carbon dioxide emissions. These systems usually consist of several subsystems like the heat source (e.g. solarthermics or a combined heat and power plant), the heat consumer (e.g. a heating system), diurnal storages (i.e. water tanks), the borehole thermal energy storage, additional heat sources for peak load coverage (e.g. a heat pump or a gas boiler) and the distribution network. For the design of an integrated system, numerical simulations of all subsystems are imperative. A separate simulation of the borehole energy storage is well-established but represents a simplification. In reality, the subsystems interact with each other. The fluid temperatures of the heat generation system, the heating system and the underground storage are interdependent and affect the performance of each subsystem. To take into account these interdependencies, we coupled a software for the simulation of the above ground facilities with a finite element software for the modeling of the heat flow in the subsurface and the borehole heat exchangers. This allows for a more realistic view on the entire system. Consequently, a finer adjustment of the system components and a more precise prognosis of the system's performance can be ensured.

Partition functions of thermally dissociating diatomic molecules and related momentum problem

NASA Astrophysics Data System (ADS)

Buchowiecki, Marcin

2017-11-01

The anharmonicity and ro-vibrational coupling in ro-vibrational partition functions of diatomic molecules are analyzed for the high temperatures of the thermal dissociation regime. The numerically exact partition functions and thermal energies are calculated. At the high temperatures the proper integration of momenta is important if the partition function of the molecule, understood as bounded system, is to be obtained. The problem of proper treatment of momentum is crucial for correctness of high temperature molecular simulations as the decomposition of simulated molecule have to be avoided; the analysis of O2, H2+, and NH3 molecules allows to show importance of βDe value.

Current and anticipated uses of thermal-hydraulic codes in Germany

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teschendorff, V.; Sommer, F.; Depisch, F.

1997-07-01

In Germany, one third of the electrical power is generated by nuclear plants. ATHLET and S-RELAP5 are successfully applied for safety analyses of the existing PWR and BWR reactors and possible future reactors, e.g. EPR. Continuous development and assessment of thermal-hydraulic codes are necessary in order to meet present and future needs of licensing organizations, utilities, and vendors. Desired improvements include thermal-hydraulic models, multi-dimensional simulation, computational speed, interfaces to coupled codes, and code architecture. Real-time capability will be essential for application in full-scope simulators. Comprehensive code validation and quantification of uncertainties are prerequisites for future best-estimate analyses.

Electro-Thermal-Mechanical Simulation Capability Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, D

This is the Final Report for LDRD 04-ERD-086, 'Electro-Thermal-Mechanical Simulation Capability'. The accomplishments are well documented in five peer-reviewed publications and six conference presentations and hence will not be detailed here. The purpose of this LDRD was to research and develop numerical algorithms for three-dimensional (3D) Electro-Thermal-Mechanical simulations. LLNL has long been a world leader in the area of computational mechanics, and recently several mechanics codes have become 'multiphysics' codes with the addition of fluid dynamics, heat transfer, and chemistry. However, these multiphysics codes do not incorporate the electromagnetics that is required for a coupled Electro-Thermal-Mechanical (ETM) simulation. There aremore » numerous applications for an ETM simulation capability, such as explosively-driven magnetic flux compressors, electromagnetic launchers, inductive heating and mixing of metals, and MEMS. A robust ETM simulation capability will enable LLNL physicists and engineers to better support current DOE programs, and will prepare LLNL for some very exciting long-term DoD opportunities. We define a coupled Electro-Thermal-Mechanical (ETM) simulation as a simulation that solves, in a self-consistent manner, the equations of electromagnetics (primarily statics and diffusion), heat transfer (primarily conduction), and non-linear mechanics (elastic-plastic deformation, and contact with friction). There is no existing parallel 3D code for simulating ETM systems at LLNL or elsewhere. While there are numerous magnetohydrodynamic codes, these codes are designed for astrophysics, magnetic fusion energy, laser-plasma interaction, etc. and do not attempt to accurately model electromagnetically driven solid mechanics. This project responds to the Engineering R&D Focus Areas of Simulation and Energy Manipulation, and addresses the specific problem of Electro-Thermal-Mechanical simulation for design and analysis of energy manipulation systems such as magnetic flux compression generators and railguns. This project compliments ongoing DNT projects that have an experimental emphasis. Our research efforts have been encapsulated in the Diablo and ALE3D simulation codes. This new ETM capability already has both internal and external users, and has spawned additional research in plasma railgun technology. By developing this capability Engineering has become a world-leader in ETM design, analysis, and simulation. This research has positioned LLNL to be able to compete for new business opportunities with the DoD in the area of railgun design. We currently have a three-year $1.5M project with the Office of Naval Research to apply our ETM simulation capability to railgun bore life issues and we expect to be a key player in the railgun community.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Novascone, Stephen Rhead; Peterson, John William

Abstract This report documents the progress of simulating pore migration in ceramic (UO 2 and mixed oxide or MOX) fuel using BISON. The porosity field is treated as a function of space and time whose evolution is governed by a custom convection-diffusion-reaction equation (described here) which is coupled to the heat transfer equation via the temperature field. The porosity is initialized to a constant value at every point in the domain, and as the temperature (and its gradient) are increased by application of a heat source, the pores move up the thermal gradient and accumulate at the center of themore » fuel in a time-frame that is consistent with observations from experiments. There is an inverse dependence of the fuel’s thermal conductivity on porosity (increasing porosity decreases thermal conductivity, and vice-versa) which is also accounted for, allowing the porosity equation to couple back into the heat transfer equation. Results from an example simulation are shown to demonstrate the new capability.« less

Holographic photon production in heavy ion collisions

NASA Astrophysics Data System (ADS)

Iatrakis, Ioannis; Kiritsis, Elias; Shen, Chun; Yang, Di-Lun

2017-04-01

The thermal-photon emission from strongly coupled gauge theories at finite temperature is calculated using holographic models for QCD in the Veneziano limit (V-QCD). The emission rates are then embedded in hydrodynamic simulations combined with prompt photons from hard scattering and the thermal photons from hadron gas to analyze the spectra and anisotropic flow of direct photons at RHIC and LHC. The results from different sources responsible for the thermal photons in QGP including the weakly coupled QGP (wQGP) from perturbative calculations, strongly coupled N = 4 super Yang-Mills (SYM) plasma (as a benchmark for reference), and Gubser's phenomenological holographic model are then compared. It is found that the direct-photon spectra are enhanced in the strongly coupled scenario compared with the ones in the wQGP, especially at high momenta. Moreover, both the elliptic flow and triangular flow of direct photons are amplified at high momenta for V-QCD and the SYM plasma. The results are further compared with experimental observations.

Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators.

PubMed

Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H-S; Ahn, Jaewook

2018-05-04

Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators

NASA Astrophysics Data System (ADS)

Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H.-S.; Ahn, Jaewook

2018-05-01

Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

Very low-loss passive fiber-to-chip coupling with tapered fibers.

PubMed

Paatzsch, T; Smaglinski, I; Abraham, M; Bauer, H D; Hempelmann, U; Neumann, G; Mrozynski, G; Kerndlmaier, W

1997-07-20

A novel passive fiber-to-chip coupling based on the use of fiber tapers embedded in a guiding structure is proposed. By beam-propagation calculations it is verified that this new coupling method exhibits a very low insertion loss. Major advantages of the proposed method compared with butt coupling are demonstrated by simulation results: first, tolerance requirements for the fibers, e.g., diameter variations and core eccentricity, and for fabrication of the alignment structure are reduced by at least 1 order of magnitude. Second, coupling to waveguides of nearly arbitrary dimensions and refractive indices seems to be possible. Experimental results on thermal drawing of fiber tapers are presented and used as input data for the simulations. A concept for fabrication of the new coupling method with the Lithographic Galvanik Abformung (LIGA) technique is presented.

Rayleigh-Bénard turbulence modified by two-way coupled inertial, nonisothermal particles

NASA Astrophysics Data System (ADS)

Park, Hyungwon John; O'Keefe, Kevin; Richter, David H.

2018-03-01

Direct numerical simulation (DNS) combined with the Lagrangian point particle model is used to study Rayleigh-Bénard convection in order to understand modifications due to the interaction of inertial, nonisothermal particles with buoyancy-driven turbulence. In this system, turbulence can be altered through direct momentum coupling, as well as through buoyancy modification via thermal coupling between phases. We quantify the effect of the dispersed phase by changes to the total integrated turbulent kinetic energy (TKE) and Nusselt number (Nu). The dispersed particles experience gravitational settling and are introduced at the lower wall so that turbulence must overcome the settling velocity for the particles to vertically distribute throughout the domain. We focus primarily on particle inertia, settling velocity, mass fraction, and the ratio of the particle to fluid specific heat. Furthermore, individual contributions by the momentum coupling and thermal coupling are studied to see which most significantly changes Nu and TKE. Our results show that particles with Stokes number of order unity maximize Nu, corresponding to a peak of clustering and attenuation of TKE. Increased mass fractions lead to a linear increase of Nu and decrease of TKE. With varying specific heat ratio, Nu and TKE exhibit monotonic behaviors, where in the high limit particles become isothermal and depend upon the initialized particle temperature. It is also shown that particles two-way coupled only through momentum attenuate Nu and weaken TKE, while thermal-only coupling also weakens TKE but enhances Nu. When both couplings are present, however, thermal coupling overwhelms the momentum coupling attenuation, and the net result is an enhancement of Nu.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stimpson, Shane G; Powers, Jeffrey J; Clarno, Kevin T

The Consortium for Advanced Simulation of Light Water Reactors (CASL) aims to provide high-fidelity, multiphysics simulations of light water reactors (LWRs) by coupling a variety of codes within the Virtual Environment for Reactor Analysis (VERA). One of the primary goals of CASL is to predict local cladding failure through pellet-clad interaction (PCI). This capability is currently being pursued through several different approaches, such as with Tiamat, which is a simulation tool within VERA that more tightly couples the MPACT neutron transport solver, the CTF thermal hydraulics solver, and the MOOSE-based Bison-CASL fuel performance code. However, the process in this papermore » focuses on running fuel performance calculations with Bison-CASL to predict PCI using the multicycle output data from coupled neutron transport/thermal hydraulics simulations. In recent work within CASL, Watts Bar Unit 1 has been simulated over 12 cycles using the VERA core simulator capability based on MPACT and CTF. Using the output from these simulations, Bison-CASL results can be obtained without rerunning all 12 cycles, while providing some insight into PCI indicators. Multi-cycle Bison-CASL results are presented and compared against results from the FRAPCON fuel performance code. There are several quantities of interest in considering PCI and subsequent fuel rod failures, such as the clad hoop stress and maximum centerline fuel temperature, particularly as a function of time. Bison-CASL performs single-rod simulations using representative power and temperature distributions, providing high-resolution results for these and a number of other quantities. This will assist in identifying fuels rods as potential failure locations for use in further analyses.« less

A parallel multi-domain solution methodology applied to nonlinear thermal transport problems in nuclear fuel pins

DOE PAGES

Philip, Bobby; Berrill, Mark A.; Allu, Srikanth; ...

2015-01-26

We describe an efficient and nonlinearly consistent parallel solution methodology for solving coupled nonlinear thermal transport problems that occur in nuclear reactor applications over hundreds of individual 3D physical subdomains. Efficiency is obtained by leveraging knowledge of the physical domains, the physics on individual domains, and the couplings between them for preconditioning within a Jacobian Free Newton Krylov method. Details of the computational infrastructure that enabled this work, namely the open source Advanced Multi-Physics (AMP) package developed by the authors are described. The details of verification and validation experiments, and parallel performance analysis in weak and strong scaling studies demonstratingmore » the achieved efficiency of the algorithm are presented. Moreover, numerical experiments demonstrate that the preconditioner developed is independent of the number of fuel subdomains in a fuel rod, which is particularly important when simulating different types of fuel rods. Finally, we demonstrate the power of the coupling methodology by considering problems with couplings between surface and volume physics and coupling of nonlinear thermal transport in fuel rods to an external radiation transport code.« less

A finite element analysis modeling tool for solid oxide fuel cell development: coupled electrochemistry, thermal and flow analysis in MARC®

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khaleel, Mohammad A.; Lin, Zijing; Singh, Prabhakar

2004-05-03

A 3D simulation tool for modeling solid oxide fuel cells is described. The tool combines the versatility and efficiency of a commercial finite element analysis code, MARC{reg_sign}, with an in-house developed robust and flexible electrochemical (EC) module. Based upon characteristic parameters obtained experimentally and assigned by the user, the EC module calculates the current density distribution, heat generation, and fuel and oxidant species concentration, taking the temperature profile provided by MARC{reg_sign} and operating conditions such as the fuel and oxidant flow rate and the total stack output voltage or current as the input. MARC{reg_sign} performs flow and thermal analyses basedmore » on the initial and boundary thermal and flow conditions and the heat generation calculated by the EC module. The main coupling between MARC{reg_sign} and EC is for MARC{reg_sign} to supply the temperature field to EC and for EC to give the heat generation profile to MARC{reg_sign}. The loosely coupled, iterative scheme is advantageous in terms of memory requirement, numerical stability and computational efficiency. The coupling is iterated to self-consistency for a steady-state solution. Sample results for steady states as well as the startup process for stacks with different flow designs are presented to illustrate the modeling capability and numerical performance characteristic of the simulation tool.« less

Detection of thermal gradients through fiber-optic Chirped Fiber Bragg Grating (CFBG): Medical thermal ablation scenario

NASA Astrophysics Data System (ADS)

Korganbayev, Sanzhar; Orazayev, Yerzhan; Sovetov, Sultan; Bazyl, Ali; Schena, Emiliano; Massaroni, Carlo; Gassino, Riccardo; Vallan, Alberto; Perrone, Guido; Saccomandi, Paola; Arturo Caponero, Michele; Palumbo, Giovanna; Campopiano, Stefania; Iadicicco, Agostino; Tosi, Daniele

2018-03-01

In this paper, we describe a novel method for spatially distributed temperature measurement with Chirped Fiber Bragg Grating (CFBG) fiber-optic sensors. The proposed method determines the thermal profile in the CFBG region from demodulation of the CFBG optical spectrum. The method is based on an iterative optimization that aims at minimizing the mismatch between the measured CFBG spectrum and a CFBG model based on coupled-mode theory (CMT), perturbed by a temperature gradient. In the demodulation part, we simulate different temperature distribution patterns with Monte-Carlo approach on simulated CFBG spectra. Afterwards, we obtain cost function that minimizes difference between measured and simulated spectra, and results in final temperature profile. Experiments and simulations have been carried out first with a linear gradient, demonstrating a correct operation (error 2.9 °C); then, a setup has been arranged to measure the temperature pattern on a 5-cm long section exposed to medical laser thermal ablation. Overall, the proposed method can operate as a real-time detection technique for thermal gradients over 1.5-5 cm regions, and turns as a key asset for the estimation of thermal gradients at the micro-scale in biomedical applications.

Fracturing And Liquid CONvection

DOE Office of Scientific and Technical Information (OSTI.GOV)

2012-02-29

FALCON has been developed to enable simulation of the tightly coupled fluid-rock behavior in hydrothermal and engineered geothermal system (EGS) reservoirs, targeting the dynamics of fracture stimulation, fluid flow, rock deformation, and heat transport in a single integrated code, with the ultimate goal of providing a tool that can be used to test the viability of EGS in the United States and worldwide. Reliable reservoir performance predictions of EGS systems require accurate and robust modeling for the coupled thermal-hydrological-mechanical processes. Conventionally, these types of problems are solved using operator-splitting methods, usually by coupling a subsurface flow and heat transport simulatormore » with a solid mechanics simulator via input files. FALCON eliminates the need for using operator-splitting methods to simulate these systems, and the scalability of the underlying MOOSE architecture allows for simulating these tightly coupled processes at the reservoir scale, allowing for examination of the system as a whole (something the operator-splitting methodologies generally cannot do).« less

Role of direct electron-phonon coupling across metal-semiconductor interfaces in thermal transport via molecular dynamics.

PubMed

Lin, Keng-Hua; Strachan, Alejandro

2015-07-21

Motivated by significant interest in metal-semiconductor and metal-insulator interfaces and superlattices for energy conversion applications, we developed a molecular dynamics-based model that captures the thermal transport role of conduction electrons in metals and heat transport across these types of interface. Key features of our model, denoted eleDID (electronic version of dynamics with implicit degrees of freedom), are the natural description of interfaces and free surfaces and the ability to control the spatial extent of electron-phonon (e-ph) coupling. Non-local e-ph coupling enables the energy of conduction electrons to be transferred directly to the semiconductor/insulator phonons (as opposed to having to first couple to the phonons in the metal). We characterize the effect of the spatial e-ph coupling range on interface resistance by simulating heat transport through a metal-semiconductor interface to mimic the conditions of ultrafast laser heating experiments. Direct energy transfer from the conduction electrons to the semiconductor phonons not only decreases interfacial resistance but also increases the ballistic transport behavior in the semiconductor layer. These results provide new insight for experiments designed to characterize e-ph coupling and thermal transport at the metal-semiconductor/insulator interfaces.

A THC Simulator for Modeling Fluid-Rock Interactions

NASA Astrophysics Data System (ADS)

Hamidi, Sahar; Galvan, Boris; Heinze, Thomas; Miller, Stephen

2014-05-01

Fluid-rock interactions play an essential role in many earth processes, from a likely influence on earthquake nucleation and aftershocks, to enhanced geothermal system, carbon capture and storage (CCS), and underground nuclear waste repositories. In THC models, two-way interactions between different processes (thermal, hydraulic and chemical) are present. Fluid flow influences the permeability of the rock especially if chemical reactions are taken into account. On one hand solute concentration influences fluid properties while, on the other hand, heat can affect further chemical reactions. Estimating heat production from a naturally fractured geothermal systems remains a complex problem. Previous works are typically based on a local thermal equilibrium assumption and rarely consider the salinity. The dissolved salt in fluid affects the hydro- and thermodynamical behavior of the system by changing the hydraulic properties of the circulating fluid. Coupled thermal-hydraulic-chemical models (THC) are important for investigating these processes, but what is needed is a coupling to mechanics to result in THMC models. Although similar models currently exist (e.g. PFLOTRAN), our objective here is to develop algorithms for implementation using the Graphics Processing Unit (GPU) computer architecture to be run on GPU clusters. To that aim, we present a two-dimensional numerical simulation of a fully coupled non-isothermal non-reactive solute flow. The thermal part of the simulation models heat transfer processes for either local thermal equilibrium or nonequilibrium cases, and coupled to a non-reactive mass transfer described by a non-linear diffusion/dispersion model. The flow process of the model includes a non-linear Darcian flow for either saturated or unsaturated scenarios. For the unsaturated case, we use the Richards' approximation for a mixture of liquid and gas phases. Relative permeability and capillary pressure are determined by the van Genuchten relations. Permeability of rock is controlled by porosity, which is itself related to effective stress. The theoretical model is solved using explicit finite differences, and runs in parallel mode with OpenMP. The code is fully modular so that any combination of current THC processes, one- and two-phase, can be chosen. Future developments will include dissolution and precipitation of chemical components in addition to chemical erosion.

Thermal transport in bismuth telluride quintuple layer: mode-resolved phonon properties and substrate effects

PubMed Central

Shao, Cheng; Bao, Hua

2016-01-01

The successful exfoliation of atomically-thin bismuth telluride (Bi2Te3) quintuple layer (QL) attracts tremendous research interest in this strongly anharmonic quasi-two-dimensional material. The thermal transport properties of this material are not well understood, especially the mode-wise properties and when it is coupled with a substrate. In this work, we have performed molecular dynamics simulations and normal mode analysis to study the mode-resolved thermal transport in freestanding and supported Bi2Te3 QL. The detailed mode-wise phonon properties are calculated and the accumulated thermal conductivities with respect to phonon mean free path (MFP) are constructed. It is shown that 60% of the thermal transport is contributed by phonons with MFP longer than 20 nm. Coupling with a-SiO2 substrate leads to about 60% reduction of thermal conductivity. Through varying the interfacial coupling strength and the atomic mass of substrate, we also find that phonon in Bi2Te3 QL is more strongly scattered by interfacial potential and its transport process is less affected by the dynamics of substrate. Our study provides an in-depth understanding of heat transport in Bi2Te3 QL and is helpful in further tailoring its thermal property through nanostructuring. PMID:27263656

Cutting Force Predication Based on Integration of Symmetric Fuzzy Number and Finite Element Method

PubMed Central

Wang, Zhanli; Hu, Yanjuan; Wang, Yao; Dong, Chao; Pang, Zaixiang

2014-01-01

In the process of turning, pointing at the uncertain phenomenon of cutting which is caused by the disturbance of random factors, for determining the uncertain scope of cutting force, the integrated symmetric fuzzy number and the finite element method (FEM) are used in the prediction of cutting force. The method used symmetric fuzzy number to establish fuzzy function between cutting force and three factors and obtained the uncertain interval of cutting force by linear programming. At the same time, the change curve of cutting force with time was directly simulated by using thermal-mechanical coupling FEM; also the nonuniform stress field and temperature distribution of workpiece, tool, and chip under the action of thermal-mechanical coupling were simulated. The experimental result shows that the method is effective for the uncertain prediction of cutting force. PMID:24790556

Innovative and Advanced Coupled Neutron Transport and Thermal Hydraulic Method (Tool) for the Design, Analysis and Optimization of VHTR/NGNP Prismatic Reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rahnema, Farzad; Garimeela, Srinivas; Ougouag, Abderrafi

2013-11-29

This project will develop a 3D, advanced coarse mesh transport method (COMET-Hex) for steady- state and transient analyses in advanced very high-temperature reactors (VHTRs). The project will lead to a coupled neutronics and thermal hydraulic (T/H) core simulation tool with fuel depletion capability. The computational tool will be developed in hexagonal geometry, based solely on transport theory without (spatial) homogenization in complicated 3D geometries. In addition to the hexagonal geometry extension, collaborators will concurrently develop three additional capabilities to increase the code’s versatility as an advanced and robust core simulator for VHTRs. First, the project team will develop and implementmore » a depletion method within the core simulator. Second, the team will develop an elementary (proof-of-concept) 1D time-dependent transport method for efficient transient analyses. The third capability will be a thermal hydraulic method coupled to the neutronics transport module for VHTRs. Current advancements in reactor core design are pushing VHTRs toward greater core and fuel heterogeneity to pursue higher burn-ups, efficiently transmute used fuel, maximize energy production, and improve plant economics and safety. As a result, an accurate and efficient neutron transport, with capabilities to treat heterogeneous burnable poison effects, is highly desirable for predicting VHTR neutronics performance. This research project’s primary objective is to advance the state of the art for reactor analysis.« less

Finite Element Analysis of Poroelastic Composites Undergoing Thermal and Gas Diffusion

NASA Technical Reports Server (NTRS)

Salamon, N. J. (Principal Investigator); Sullivan, Roy M.; Lee, Sunpyo

1995-01-01

A theory for time-dependent thermal and gas diffusion in mechanically time-rate-independent anisotropic poroelastic composites has been developed. This theory advances previous work by the latter two authors by providing for critical transverse shear through a three-dimensional axisymmetric formulation and using it in a new hypothesis for determining the Biot fluid pressure-solid stress coupling factor. The derived governing equations couple material deformation with temperature and internal pore pressure and more strongly couple gas diffusion and heat transfer than the previous theory. Hence the theory accounts for the interactions between conductive heat transfer in the porous body and convective heat carried by the mass flux through the pores. The Bubnov Galerkin finite element method is applied to the governing equations to transform them into a semidiscrete finite element system. A numerical procedure is developed to solve the coupled equations in the space and time domains. The method is used to simulate two high temperature tests involving thermal-chemical decomposition of carbon-phenolic composites. In comparison with measured data, the results are accurate. Moreover unlike previous work, for a single set of poroelastic parameters, they are consistent with two measurements in a restrained thermal growth test.

NSR&D FY15 Final Report. Modeling Mechanical, Thermal, and Chemical Effects of Impact

DOE Office of Scientific and Technical Information (OSTI.GOV)

Long, Christopher Curtis; Ma, Xia; Zhang, Duan Zhong

2015-11-02

The main goal of this project is to develop a computer model that explains and predicts coupled mechanical, thermal and chemical responses of HE under impact and friction insults. The modeling effort is based on the LANL-developed CartaBlanca code, which is implemented with the dual domain material point (DDMP) method to calculate complex and coupled thermal, chemical and mechanical effects among fluids, solids and the transitions between the states. In FY 15, we have implemented the TEPLA material model for metal and performed preliminary can penetration simulation and begun to link with experiment. Currently, we are working on implementing amore » shock to detonation transition (SDT) model (SURF) and JWL equation of state.« less

System Simulation of Nuclear Power Plant by Coupling RELAP5 and Matlab/Simulink

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng Lin; Dong Hou; Zhihong Xu

2006-07-01

Since RELAP5 code has general and advanced features in thermal-hydraulic computation, it has been widely used in transient and accident safety analysis, experiment planning analysis, and system simulation, etc. So we wish to design, analyze, verify a new Instrumentation And Control (I and C) system of Nuclear Power Plant (NPP) based on the best-estimated code, and even develop our engineering simulator. But because of limited function of simulating control and protection system in RELAP5, it is necessary to expand the function for high efficient, accurate, flexible design and simulation of I and C system. Matlab/Simulink, a scientific computation software, justmore » can compensate the limitation, which is a powerful tool in research and simulation of plant process control. The software is selected as I and C part to be coupled with RELAP5 code to realize system simulation of NPPs. There are two key techniques to be solved. One is the dynamic data exchange, by which Matlab/Simulink receives plant parameters and returns control results. Database is used to communicate the two codes. Accordingly, Dynamic Link Library (DLL) is applied to link database in RELAP5, while DLL and S-Function is applied in Matlab/Simulink. The other problem is synchronization between the two codes for ensuring consistency in global simulation time. Because Matlab/Simulink always computes faster than RELAP5, the simulation time is sent by RELAP5 and received by Matlab/Simulink. A time control subroutine is added into the simulation procedure of Matlab/Simulink to control its simulation advancement. Through these ways, Matlab/Simulink is dynamically coupled with RELAP5. Thus, in Matlab/Simulink, we can freely design control and protection logic of NPPs and test it with best-estimated plant model feedback. A test will be shown to illuminate that results of coupling calculation are nearly the same with one of single RELAP5 with control logic. In practice, a real Pressurized Water Reactor (PWR) is modeled by RELAP5 code, and its main control and protection system is duplicated by Matlab/Simulink. Some steady states and transients are calculated under control of these I and C systems, and the results are compared with the plant test curves. The application showed that it can do exact system simulation of NPPs by coupling RELAP5 and Matlab/Simulink. This paper will mainly focus on the coupling method, plant thermal-hydraulic model, main control logics, test and application results. (authors)« less

Simultaneously Coupled Mechanical-Electrochemical-Thermal Simulation of Lithium-Ion Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, C.; Santhanagopalan, S.; Sprague, M. A.

2016-07-28

Understanding the combined electrochemical-thermal and mechanical response of a system has a variety of applications, for example, structural failure from electrochemical fatigue and the potential induced changes of material properties. For lithium-ion batteries, there is an added concern over the safety of the system in the event of mechanical failure of the cell components. In this work, we present a generic multi-scale simultaneously coupled mechanical-electrochemical-thermal model to examine the interaction between mechanical failure and electrochemical-thermal responses. We treat the battery cell as a homogeneous material while locally we explicitly solve for the mechanical response of individual components using a homogenizationmore » model and the electrochemical-thermal responses using an electrochemical model for the battery. A benchmark problem is established to demonstrate the proposed modeling framework. The model shows the capability to capture the gradual evolution of cell electrochemical-thermal responses, and predicts the variation of those responses under different short-circuit conditions.« less

Simultaneously Coupled Mechanical-Electrochemical-Thermal Simulation of Lithium-Ion Cells: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Chao; Santhanagopalan, Shriram; Sprague, Michael A.

2016-08-01

Understanding the combined electrochemical-thermal and mechanical response of a system has a variety of applications, for example, structural failure from electrochemical fatigue and the potential induced changes of material properties. For lithium-ion batteries, there is an added concern over the safety of the system in the event of mechanical failure of the cell components. In this work, we present a generic multi-scale simultaneously coupled mechanical-electrochemical-thermal model to examine the interaction between mechanical failure and electrochemical-thermal responses. We treat the battery cell as a homogeneous material while locally we explicitly solve for the mechanical response of individual components using a homogenizationmore » model and the electrochemical-thermal responses using an electrochemical model for the battery. A benchmark problem is established to demonstrate the proposed modeling framework. The model shows the capability to capture the gradual evolution of cell electrochemical-thermal responses, and predicts the variation of those responses under different short-circuit conditions.« less

Multidisciplinary Analysis of a Hypersonic Engine

NASA Technical Reports Server (NTRS)

Stewart, M. E. M.; Suresh, A.; Liou, M. S.; Owen, A. K.; Messitt, D. G.

2002-01-01

This paper describes implementation of a technique used to obtain a high fidelity fluid-thermal-structural solution of a combined cycle engine at its scram design point. Single-discipline simulations are insufficient here since interactions from other disciplines are significant. Using off-the-shelf, validated solvers for the fluid, chemistry, thermal, and structural solutions, this approach couples together their results to obtain consistent solutions.

Modeling soil thermal and carbon dynamics of a fire chronosequence in interior Alaska

Treesearch

Q. Zhuang; A. D. McGuire; K. P. O' Neill; J. W. Harden; V. E. Romanovsky; J. Yarie

2003-01-01

In this study, the dynamics of soil thermal, hydrologic, and ecosystem processes were coupled to project how the carbon budgets of boreal forests will respond to changes in atmospheric CO2, climate, and fire disturbance. The ability of the model to simulate gross primary production and ecosystem respiration was verified for a mature black spruce...

SURVEY AND ANALYSIS OF CRACKS ON NATM CONCRETE LINING, AND A STUDY OF THE METHOD TO CONTROL CRACKS GENERATION

NASA Astrophysics Data System (ADS)

Takayama, Hirofumi; Masuda, Yasuo; Nakayama, Takashi; Shigeta, Yoshiyuki; Yingyograttanakul, Narentorn; Asakura, Toshihiro

The concrete linings constructed by NATM often have cracks occurred near the tunnel crown in the longitudinal direction. In the results of the 1/4 scaled model tests, the authors have showed that in order to simulate the mechanism of cracks generation correctly, not only the coupled stress-thermal analysis but also the coupled stress-moisture analysis should be performed in numerical analysis procedures. We survey the strain produced inside of the second lining concrete and the progress of cracks occurred in the real tunnel used at the Shinkansen. And point out that not only the coupled stress-thermal analysis but also the coupled stress-moisture analysis can represent them. Further, we propose a method to control cracks generation, the adjustment of the temperature and the humidity.

Thermal coupling effect on the vortex dynamics of superconducting thin films: time-dependent Ginzburg–Landau simulations

NASA Astrophysics Data System (ADS)

Jing, Ze; Yong, Huadong; Zhou, Youhe

2018-05-01

In this paper, vortex dynamics of superconducting thin films are numerically investigated by the generalized time-dependent Ginzburg–Landau (TDGL) theory. Interactions between vortex motion and the motion induced energy dissipation is considered by solving the coupled TDGL equation and the heat diffusion equation. It is found that thermal coupling has significant effects on the vortex dynamics of superconducting thin films. Branching in the vortex penetration path originates from the coupling between vortex motion and the motion induced energy dissipation. In addition, the environment temperature, the magnetic field ramp rate and the geometry of the superconducting film also greatly influence the vortex dynamic behaviors. Our results provide new insights into the dynamics of superconducting vortices, and give a mesoscopic understanding on the channeling and branching of vortex penetration paths during flux avalanches.

Thermal–hydraulic–mechanical modeling of a large-scale heater test to investigate rock salt and crushed salt behavior under repository conditions for heat-generating nuclear waste

DOE PAGES

Blanco-Martín, Laura; Wolters, Ralf; Rutqvist, Jonny; ...

2016-04-28

The Thermal Simulation for Drift Emplacement heater test is modeled with two simulators for coupled thermal-hydraulic-mechanical processes. Results from the two simulators are in very good agreement. The comparison between measurements and numerical results is also very satisfactory, regarding temperature, drift closure and rock deformation. Concerning backfill compaction, a parameter calibration through inverse modeling was performed due to insufficient data on crushed salt reconsolidation, particularly at high temperatures. We conclude that the two simulators investigated have the capabilities to reproduce the data available, which increases confidence in their use to reliably investigate disposal of heat-generating nuclear waste in saliferous geosystems.

Thermal–hydraulic–mechanical modeling of a large-scale heater test to investigate rock salt and crushed salt behavior under repository conditions for heat-generating nuclear waste

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blanco-Martín, Laura; Wolters, Ralf; Rutqvist, Jonny

The Thermal Simulation for Drift Emplacement heater test is modeled with two simulators for coupled thermal-hydraulic-mechanical processes. Results from the two simulators are in very good agreement. The comparison between measurements and numerical results is also very satisfactory, regarding temperature, drift closure and rock deformation. Concerning backfill compaction, a parameter calibration through inverse modeling was performed due to insufficient data on crushed salt reconsolidation, particularly at high temperatures. We conclude that the two simulators investigated have the capabilities to reproduce the data available, which increases confidence in their use to reliably investigate disposal of heat-generating nuclear waste in saliferous geosystems.

Thermal design and simulation of an attitude-varied space camera

NASA Astrophysics Data System (ADS)

Wang, Chenjie; Yang, Wengang; Feng, Liangjie; Li, XuYang; Wang, Yinghao; Fan, Xuewu; Wen, Desheng

2015-10-01

An attitude-varied space camera changes attitude continually when it is working, its attitude changes with large angle in short time leads to the significant change of heat flux; Moreover, the complicated inner heat sources, other payloads and the satellite platform will also bring thermal coupling effects to the space camera. According to a space camera which is located on a two dimensional rotating platform, detailed thermal design is accomplished by means of thermal isolation, thermal transmission and temperature compensation, etc. Then the ultimate simulation cases of both high temperature and low temperature are chosen considering the obscuration of the satellite platform and other payloads, and also the heat flux analysis of light entrance and radiator surface of the camera. NEVEDA and SindaG are used to establish the simulation model of the camera and the analysis is carried out. The results indicate that, under both passive and active thermal control, the temperature of optical components is 20+/-1°C,both their radial and axial temperature gradient are less than 0.3°C, while the temperature of the main structural components is 20+/-2°C, and the temperature fluctuation of the focal plane assemblies is 3.0-9.5°C The simulation shows that the thermal control system can meet the need of the mission, and the thermal design is efficient and reasonable.

MOUNTAIN-SCALE COUPLED PROCESSES (TH/THC/THM)MODELS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Y.S. Wu

This report documents the development and validation of the mountain-scale thermal-hydrologic (TH), thermal-hydrologic-chemical (THC), and thermal-hydrologic-mechanical (THM) models. These models provide technical support for screening of features, events, and processes (FEPs) related to the effects of coupled TH/THC/THM processes on mountain-scale unsaturated zone (UZ) and saturated zone (SZ) flow at Yucca Mountain, Nevada (BSC 2005 [DIRS 174842], Section 2.1.1.1). The purpose and validation criteria for these models are specified in ''Technical Work Plan for: Near-Field Environment and Transport: Coupled Processes (Mountain-Scale TH/THC/THM, Drift-Scale THC Seepage, and Drift-Scale Abstraction) Model Report Integration'' (BSC 2005 [DIRS 174842]). Model results are used tomore » support exclusion of certain FEPs from the total system performance assessment for the license application (TSPA-LA) model on the basis of low consequence, consistent with the requirements of 10 CFR 63.342 [DIRS 173273]. Outputs from this report are not direct feeds to the TSPA-LA. All the FEPs related to the effects of coupled TH/THC/THM processes on mountain-scale UZ and SZ flow are discussed in Sections 6 and 7 of this report. The mountain-scale coupled TH/THC/THM processes models numerically simulate the impact of nuclear waste heat release on the natural hydrogeological system, including a representation of heat-driven processes occurring in the far field. The mountain-scale TH simulations provide predictions for thermally affected liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature (together called the flow fields). The main focus of the TH model is to predict the changes in water flux driven by evaporation/condensation processes, and drainage between drifts. The TH model captures mountain-scale three-dimensional flow effects, including lateral diversion and mountain-scale flow patterns. The mountain-scale THC model evaluates TH effects on water and gas chemistry, mineral dissolution/precipitation, and the resulting impact to UZ hydrologic properties, flow and transport. The mountain-scale THM model addresses changes in permeability due to mechanical and thermal disturbances in stratigraphic units above and below the repository host rock. The THM model focuses on evaluating the changes in UZ flow fields arising out of thermal stress and rock deformation during and after the thermal period (the period during which temperatures in the mountain are significantly higher than ambient temperatures).« less

Coupled numerical simulation of fire in tunnel

NASA Astrophysics Data System (ADS)

Pesavento, F.; Pachera, M.; Schrefler, B. A.; Gawin, D.; Witek, A.

2018-01-01

In this work, a coupling strategy for the analysis of a tunnel under fire is presented. This strategy consists in a "one-way" coupling between a tool considering the computational fluid dynamics and radiation with a model treating concrete as a multiphase porous material exposed to high temperature. This global approach allows for taking into account in a realistic manner the behavior of the "system tunnel", composed of the fluid and the solid domain (i.e. the concrete structures), from the fire onset, its development and propagation to the response of the structure. The thermal loads as well as the moisture exchange between the structure surface and the environment are calculated by means of computational fluid dynamics. These set of data are passed in an automatic way to the numerical tool implementing a model based on Multiphase Porous Media Mechanics. Thanks to this strategy the structural verification is no longer based on the standard fire curves commonly used in the engineering practice, but it is directly related to a realistic fire scenario. To show the capability of this strategy some numerical simulations of a fire in the Brenner Base Tunnel, under construction between Italy and Austria, is presented. The numerical simulations show the effects of a more realistic distribution of the thermal loads with respect to the ones obtained by using the standard fire curves. Moreover, it is possible to highlight how the localized thermal load generates a non-uniform pressure rise in the material, which results in an increase of the structure stress state and of the spalling risk. Spalling is likely the most dangerous collapse mechanism for a concrete structure. This coupling approach still represents a "one way" strategy, i.e. realized without considering explicitly the mass and energy exchange from the structure to the fluid through the interface. This results in an approximation, but from physical point of view the current form of the solid-fluid coupling is considered sufficiently accurate in this first phase of the research.

Visual Computing Environment Workshop

NASA Technical Reports Server (NTRS)

Lawrence, Charles (Compiler)

1998-01-01

The Visual Computing Environment (VCE) is a framework for intercomponent and multidisciplinary computational simulations. Many current engineering analysis codes simulate various aspects of aircraft engine operation. For example, existing computational fluid dynamics (CFD) codes can model the airflow through individual engine components such as the inlet, compressor, combustor, turbine, or nozzle. Currently, these codes are run in isolation, making intercomponent and complete system simulations very difficult to perform. In addition, management and utilization of these engineering codes for coupled component simulations is a complex, laborious task, requiring substantial experience and effort. To facilitate multicomponent aircraft engine analysis, the CFD Research Corporation (CFDRC) is developing the VCE system. This system, which is part of NASA's Numerical Propulsion Simulation System (NPSS) program, can couple various engineering disciplines, such as CFD, structural analysis, and thermal analysis.

Numerical simulation of convection and heat transfer in Czochralski crystal growth by multiple-relaxation-time LBM

NASA Astrophysics Data System (ADS)

Liu, Ding; Huang, Weichao; Zhang, Ni

2017-07-01

A two-dimensional axisymmetric swirling model based on the lattice Boltzmann method (LBM) in a pseudo Cartesian coordinate system is posited to simulate Czochralski (Cz) crystal growth in this paper. Specifically, the multiple-relaxation-time LBM (MRT-LBM) combined with the finite difference method (FDM) is used to analyze the melt convection and heat transfer in the process of Cz crystal growth. An incompressible axisymmetric swirling MRT-LB D2Q9 model is applied to solve for the axial and radial velocities by inserting thermal buoyancy and rotational inertial force into the two-dimensional lattice Boltzmann equation. In addition, the melt temperature and the azimuthal velocity are solved by MRT-LB D2Q5 models, and the crystal temperature is solved by FDM. The comparison results of stream functions values of different methods demonstrate that our hybrid model can be used to simulate the fluid-thermal coupling in the axisymmetric swirling model correctly and effectively. Furthermore, numerical simulations of melt convection and heat transfer are conducted under the conditions of high Grashof (Gr) numbers, within the range of 105 ˜ 107, and different high Reynolds (Re) numbers. The experimental results show our hybrid model can obtain the exact solution of complex crystal-growth models and analyze the fluid-thermal coupling effectively under the combined action of natural convection and forced convection.

CFD-ACE+: a CAD system for simulation and modeling of MEMS

NASA Astrophysics Data System (ADS)

Stout, Phillip J.; Yang, H. Q.; Dionne, Paul; Leonard, Andy; Tan, Zhiqiang; Przekwas, Andrzej J.; Krishnan, Anantha

1999-03-01

Computer aided design (CAD) systems are a key to designing and manufacturing MEMS with higher performance/reliability, reduced costs, shorter prototyping cycles and improved time- to-market. One such system is CFD-ACE+MEMS, a modeling and simulation environment for MEMS which includes grid generation, data visualization, graphical problem setup, and coupled fluidic, thermal, mechanical, electrostatic, and magnetic physical models. The fluid model is a 3D multi- block, structured/unstructured/hybrid, pressure-based, implicit Navier-Stokes code with capabilities for multi- component diffusion, multi-species transport, multi-step gas phase chemical reactions, surface reactions, and multi-media conjugate heat transfer. The thermal model solves the total enthalpy from of the energy equation. The energy equation includes unsteady, convective, conductive, species energy, viscous dissipation, work, and radiation terms. The electrostatic model solves Poisson's equation. Both the finite volume method and the boundary element method (BEM) are available for solving Poisson's equation. The BEM method is useful for unbounded problems. The magnetic model solves for the vector magnetic potential from Maxwell's equations including eddy currents but neglecting displacement currents. The mechanical model is a finite element stress/deformation solver which has been coupled to the flow, heat, electrostatic, and magnetic calculations to study flow, thermal electrostatically, and magnetically included deformations of structures. The mechanical or structural model can accommodate elastic and plastic materials, can handle large non-linear displacements, and can model isotropic and anisotropic materials. The thermal- mechanical coupling involves the solution of the steady state Navier equation with thermoelastic deformation. The electrostatic-mechanical coupling is a calculation of the pressure force due to surface charge on the mechanical structure. Results of CFD-ACE+MEMS modeling of MEMS such as cantilever beams, accelerometers, and comb drives are discussed.

Numerical and experimental analysis of inhomogeneities in SMA wires induced by thermal boundary conditions

NASA Astrophysics Data System (ADS)

Furst, Stephen J.; Crews, John H.; Seelecke, Stefan

2012-11-01

Published data on NiTi wire tensile tests display a surprising variety of results even though the same material has been studied. Hysteresis shapes can be observed that range from box- to cigar-like. In some cases, the variation may be the result of different post-fabrication treatment, such as annealing or cold working procedures. However, oftentimes local data are generated from average stress/strain concepts on the basis of global force and end displacement measurements. It is well known among experimentalists that this has a smoothening effect on data, but there is an additional, less well-known mechanism at work as well. This effect is due to thermomechanical coupling and the thermal boundary condition at the ends of the wires, and it manifests itself in a strong data dependence on the length of the employed specimen. This paper illustrates the effects of a thermal boundary layer in a 1D wire by means of an experimental study combined with a simulation based on the fully coupled momentum and energy balance equations. The system is modeled using COMSOL FEA software to simulate the distribution of strain, temperature, resistivity, and phase fractions. The local behavior is then integrated over the length of the wire to predict the expected behavior of the bulk wire as observed at its endpoints. Then, simulations are compared with results from a tensile test of a 100 mum diameter Dynalloy Flexinol wire between two large, steel clamps. Each step of the tensile test experiment is carefully controlled and then simulated via the boundary and initial conditions of the model. The simulated and experimental results show how the thermal boundary layer affects different length SMA wires and how the inhomogeneity prevents transition to austenite at the wire endpoints. Accordingly, shorter wires tend to be softer (more martensitic) than longer wires and exhibit a large reduction in recoverable strain because a larger percentage of their total length is impacted by the thermal boundary.

Dynamics of open quantum systems by interpolation of von Neumann and classical master equations, and its application to quantum annealing

NASA Astrophysics Data System (ADS)

Kadowaki, Tadashi

2018-02-01

We propose a method to interpolate dynamics of von Neumann and classical master equations with an arbitrary mixing parameter to investigate the thermal effects in quantum dynamics. The two dynamics are mixed by intervening to continuously modify their solutions, thus coupling them indirectly instead of directly introducing a coupling term. This maintains the quantum system in a pure state even after the introduction of thermal effects and obtains not only a density matrix but also a state vector representation. Further, we demonstrate that the dynamics of a two-level system can be rewritten as a set of standard differential equations, resulting in quantum dynamics that includes thermal relaxation. These equations are equivalent to the optical Bloch equations at the weak coupling and asymptotic limits, implying that the dynamics cause thermal effects naturally. Numerical simulations of ferromagnetic and frustrated systems support this idea. Finally, we use this method to study thermal effects in quantum annealing, revealing nontrivial performance improvements for a spin glass model over a certain range of annealing time. This result may enable us to optimize the annealing time of real annealing machines.

Coupled Neutronics Thermal-Hydraulic Solution of a Full-Core PWR Using VERA-CS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clarno, Kevin T; Palmtag, Scott; Davidson, Gregory G

2014-01-01

The Consortium for Advanced Simulation of Light Water Reactors (CASL) is developing a core simulator called VERA-CS to model operating PWR reactors with high resolution. This paper describes how the development of VERA-CS is being driven by a set of progression benchmark problems that specify the delivery of useful capability in discrete steps. As part of this development, this paper will describe the current capability of VERA-CS to perform a multiphysics simulation of an operating PWR at Hot Full Power (HFP) conditions using a set of existing computer codes coupled together in a novel method. Results for several single-assembly casesmore » are shown that demonstrate coupling for different boron concentrations and power levels. Finally, high-resolution results are shown for a full-core PWR reactor modeled in quarter-symmetry.« less

PCB-level Electro thermal Coupling Simulation Analysis

NASA Astrophysics Data System (ADS)

Zhou, Runjing; Shao, Xuchen

2017-10-01

Power transmission network needs to transmit more current with the increase of the power density. The problem of temperature rise and the reliability is becoming more and more serious. In order to accurately design the power supply system, we must consider the influence of the power supply system including Joule heat, air convection and other factors. Therefore, this paper analyzes the relationship between the electric circuit and the thermal circuit on the basis of the theory of electric circuit and thermal circuit.

Simulating condensation on microstructured surfaces using Lattice Boltzmann Method

NASA Astrophysics Data System (ADS)

Alexeev, Alexander; Vasyliv, Yaroslav

2017-11-01

We simulate a single component fluid condensing on 2D structured surfaces with different wettability. To simulate the two phase fluid, we use the athermal Lattice Boltzmann Method (LBM) driven by a pseudopotential force. The pseudopotential force results in a non-ideal equation of state (EOS) which permits liquid-vapor phase change. To account for thermal effects, the athermal LBM is coupled to a finite volume discretization of the temperature evolution equation obtained using a thermal energy rate balance for the specific internal energy. We use the developed model to probe the effect of surface structure and surface wettability on the condensation rate in order to identify microstructure topographies promoting condensation. Financial support is acknowledged from Kimberly-Clark.

How the Geothermal Community Upped the Game for Computer Codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

The Geothermal Technologies Office Code Comparison Study brought 11 research institutions together to collaborate on coupled thermal, hydrologic, geomechanical, and geochemical numerical simulators. These codes have the potential to help facilitate widespread geothermal energy development.

Direct-Photon Spectra and Anisotropic Flow in Heavy Ion Collisions from Holography

NASA Astrophysics Data System (ADS)

Iatrakis, Ioannis; Kiritsis, Elias; Shen, Chun; Yang, Di-Lun

2017-03-01

The thermal-photon emission from strongly coupled gauge theories at finite temperature is calculated by using holographic models for QCD in the Veneziano limit (V-QCD). These emission rates are then embedded in hydrodynamic simulations combined with prompt photons from hard scattering and the thermal photons from hadron gas to analyze the spectra and anisotropic flow of direct photons at RHIC and LHC. The results from different sources responsible for the thermal photons in the quark gluon plasma (QGP) including the weakly coupled QGP (wQGP) from perturbative calculations, strongly coupled N = 4 super Yang-Mills (SYM) plasma (as a benchmark for reference), and Gubser's phenomenological model mimicking the strongly coupled QGP (sQGP) are then compared. It is found that the direct-photon spectra are enhanced in the strongly coupled scenario compared with the ones in the wQGP, especially at intermediate and high momenta, which improve the agreements with data. Moreover, by using IP-glassma initial states, both the elliptic flow and triangular flow of direct photons are amplified at high momenta (pT > 2.5 GeV) for V-QCD, while they are suppressed at low momenta compared to wQGP. The distinct results in holography stem from the blue-shift of emission rates in strong coupling. In addition, the spectra and flow in small collision systems were evaluated for future comparisons. It is found that thermal photons from the deconfined phase are substantial to reconcile the spectra and flow at high momenta.

Effects of Solder Temperature on Pin Through-Hole during Wave Soldering: Thermal-Fluid Structure Interaction Analysis

PubMed Central

Abdul Aziz, M. S.; Abdullah, M. Z.; Khor, C. Y.

2014-01-01

An efficient simulation technique was proposed to examine the thermal-fluid structure interaction in the effects of solder temperature on pin through-hole during wave soldering. This study investigated the capillary flow behavior as well as the displacement, temperature distribution, and von Mises stress of a pin passed through a solder material. A single pin through-hole connector mounted on a printed circuit board (PCB) was simulated using a 3D model solved by FLUENT. The ABAQUS solver was employed to analyze the pin structure at solder temperatures of 456.15 K (183°C) < T < 643.15 K (370°C). Both solvers were coupled by the real time coupling software and mesh-based parallel code coupling interface during analysis. In addition, an experiment was conducted to measure the temperature difference (ΔT) between the top and the bottom of the pin. Analysis results showed that an increase in temperature increased the structural displacement and the von Mises stress. Filling time exhibited a quadratic relationship to the increment of temperature. The deformation of pin showed a linear correlation to the temperature. The ΔT obtained from the simulation and the experimental method were validated. This study elucidates and clearly illustrates wave soldering for engineers in the PCB assembly industry. PMID:25225638

Effects of solder temperature on pin through-hole during wave soldering: thermal-fluid structure interaction analysis.

PubMed

Aziz, M S Abdul; Abdullah, M Z; Khor, C Y

2014-01-01

An efficient simulation technique was proposed to examine the thermal-fluid structure interaction in the effects of solder temperature on pin through-hole during wave soldering. This study investigated the capillary flow behavior as well as the displacement, temperature distribution, and von Mises stress of a pin passed through a solder material. A single pin through-hole connector mounted on a printed circuit board (PCB) was simulated using a 3D model solved by FLUENT. The ABAQUS solver was employed to analyze the pin structure at solder temperatures of 456.15 K (183(°)C) < T < 643.15 K (370(°)C). Both solvers were coupled by the real time coupling software and mesh-based parallel code coupling interface during analysis. In addition, an experiment was conducted to measure the temperature difference (ΔT) between the top and the bottom of the pin. Analysis results showed that an increase in temperature increased the structural displacement and the von Mises stress. Filling time exhibited a quadratic relationship to the increment of temperature. The deformation of pin showed a linear correlation to the temperature. The ΔT obtained from the simulation and the experimental method were validated. This study elucidates and clearly illustrates wave soldering for engineers in the PCB assembly industry.

Coupling of an acoustic wave to shear motion due to viscous heating

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Bin; Goree, J.

2016-07-15

Viscous heating due to shear motion in a plasma can result in the excitation of a longitudinal acoustic wave, if the shear motion is modulated in time. The coupling mechanism is a thermal effect: time-dependent shear motion causes viscous heating, which leads to a rarefaction that can couple into a longitudinal wave, such as an acoustic wave. This coupling mechanism is demonstrated in an electrostatic three-dimensional (3D) simulation of a dusty plasma, in which a localized shear flow is initiated as a pulse, resulting in a delayed outward propagation of a longitudinal acoustic wave. This coupling effect can be profoundmore » in plasmas that exhibit localized viscous heating, such as the dusty plasma we simulated using parameters typical of the PK-4 experiment. We expect that a similar phenomenon can occur with other kinds of plasma waves.« less

Rayleigh-Benard Simulation using Gas-Kinetic BGK Scheme in the Incompressible Limit

NASA Technical Reports Server (NTRS)

Xu, Kun; Lui, Shiu-Hong

1998-01-01

In this paper, a gas-kinetic BGK model is constructed for the Rayleigh-Benard thermal convection in the incompressible flow limit, where the flow field and temperature field are described by two coupled BGK models. Since the collision times and pseudo-temperature in the corresponding BGK models can be different, the Prandtl number can be changed to any value instead of a fixed Pr=1 in the original BGK model. The 2D Rayleigh-Benard thermal convection is studied and numerical results are compared with theoretical ones as well as other simulation results.

Advanced multiphysics coupling for LWR fuel performance analysis

DOE PAGES

Hales, J. D.; Tonks, M. R.; Gleicher, F. N.; ...

2015-10-01

Even the most basic nuclear fuel analysis is a multiphysics undertaking, as a credible simulation must consider at a minimum coupled heat conduction and mechanical deformation. The need for more realistic fuel modeling under a variety of conditions invariably leads to a desire to include coupling between a more complete set of the physical phenomena influencing fuel behavior, including neutronics, thermal hydraulics, and mechanisms occurring at lower length scales. This paper covers current efforts toward coupled multiphysics LWR fuel modeling in three main areas. The first area covered in this paper concerns thermomechanical coupling. The interaction of these two physics,more » particularly related to the feedback effect associated with heat transfer and mechanical contact at the fuel/clad gap, provides numerous computational challenges. An outline is provided of an effective approach used to manage the nonlinearities associated with an evolving gap in BISON, a nuclear fuel performance application. A second type of multiphysics coupling described here is that of coupling neutronics with thermomechanical LWR fuel performance. DeCART, a high-fidelity core analysis program based on the method of characteristics, has been coupled to BISON. DeCART provides sub-pin level resolution of the multigroup neutron flux, with resonance treatment, during a depletion or a fast transient simulation. Two-way coupling between these codes was achieved by mapping fission rate density and fast neutron flux fields from DeCART to BISON and the temperature field from BISON to DeCART while employing a Picard iterative algorithm. Finally, the need for multiscale coupling is considered. Fission gas production and evolution significantly impact fuel performance by causing swelling, a reduction in the thermal conductivity, and fission gas release. The mechanisms involved occur at the atomistic and grain scale and are therefore not the domain of a fuel performance code. However, it is possible to use lower length scale models such as those used in the mesoscale MARMOT code to compute average properties, e.g. swelling or thermal conductivity. These may then be used by an engineering-scale model. Examples of this type of multiscale, multiphysics modeling are shown.« less

Effect of thermal and mechanical parameter’s damage numerical simulation cycling effects on defects in hot metal forming processes

NASA Astrophysics Data System (ADS)

El Amri, Abdelouahid; el yakhloufi Haddou, Mounir; Khamlichi, Abdellatif

2017-10-01

Damage mechanisms in hot metal forming processes are accelerated by mechanical stresses arising during Thermal and mechanical properties variations, because it consists of the materials with different thermal and mechanical loadings and swelling coefficients. In this work, 3D finite element models (FEM) are developed to simulate the effect of Temperature and the stresses on the model development, using a general purpose FE software ABAQUS. Explicit dynamic analysis with coupled Temperature displacement procedure is used for a model. The purpose of this research was to study the thermomechanical damage mechanics in hot forming processes. The important process variables and the main characteristics of various hot forming processes will also be discussed.

Filament cooling and condensation in a sheared magnetic field

NASA Technical Reports Server (NTRS)

Van Hoven, Gerard

1990-01-01

Thermal instability driven by optically thin radiation in the corona is believed to initiate the formation of solar filaments. The fact that filaments are observed generally to separate regions of opposite, line-of-sight, magnetic polarity in the differentially rotating photosphere suggests that filament formation requires the presence of a highly sheared magnetic field. The coupled energetics and dynamics of the most important condensation modes, those due to perpendicular thermal conduction at short wavelengths are discussed. Linear structure in the sheared field and their growth rates is described, and 2D, nonlinear, MHD simulations of the evolution of these modes in a force-free field are conducted. The simulations achieve the fine thermal structures, minimum temperatures and maximum densities characteristic of observed solar filaments.

Electro-thermo-mechanical coupling analysis of deep drawing with resistance heating for aluminum matrix composites sheet

NASA Astrophysics Data System (ADS)

Zhang, Kaifeng; Zhang, Tuoda; Wang, Bo

2013-05-01

Recently, electro-plastic forming to be a focus of attention in materials hot processing research area, because it is a sort of energy-saving, high efficient and green manufacturing technology. An electro-thermo-mechanical model can be adopted to carry out the sequence simulation of aluminum matrix composites sheet deep drawing via electro-thermal coupling and thermal-mechanical coupling method. The first step of process is resistance heating of sheet, then turn off the power, and the second step is deep drawing. Temperature distribution of SiCp/2024Al composite sheet by resistance heating and sheet deep drawing deformation were analyzed. During the simulation, effect of contact resistances, temperature coefficient of resistance for electrode material and SiCp/2024Al composite on temperature distribution were integrally considered. The simulation results demonstrate that Sicp/2024Al composite sheet can be rapidly heated to 400° in 30s using resistances heating and the sheet temperature can be controlled by adjusting the current density. Physical properties of the electrode materials can significantly affect the composite sheet temperature distribution. The temperature difference between the center and the side of the sheet is proportional to the thermal conductivity of the electrode, the principal cause of which is that the heat transfers from the sheet to the electrode. SiCp/2024Al thin-wall part can be intactly manufactured at strain rate of 0.08s-1 and the sheet thickness thinning rate is limited within 20%, which corresponds well to the experimental result.

SMITHERS: An object-oriented modular mapping methodology for MCNP-based neutronic–thermal hydraulic multiphysics

DOE PAGES

Richard, Joshua; Galloway, Jack; Fensin, Michael; ...

2015-04-04

A novel object-oriented modular mapping methodology for externally coupled neutronics–thermal hydraulics multiphysics simulations was developed. The Simulator using MCNP with Integrated Thermal-Hydraulics for Exploratory Reactor Studies (SMITHERS) code performs on-the-fly mapping of material-wise power distribution tallies implemented by MCNP-based neutron transport/depletion solvers for use in estimating coolant temperature and density distributions with a separate thermal-hydraulic solver. The key development of SMITHERS is that it reconstructs the hierarchical geometry structure of the material-wise power generation tallies from the depletion solver automatically, with only a modicum of additional information required from the user. In addition, it performs the basis mapping from themore » combinatorial geometry of the depletion solver to the required geometry of the thermal-hydraulic solver in a generalizable manner, such that it can transparently accommodate varying levels of thermal-hydraulic solver geometric fidelity, from the nodal geometry of multi-channel analysis solvers to the pin-cell level of discretization for sub-channel analysis solvers.« less

Opportunities and constraints of presently used thermal manikins for thermo-physiological simulation of the human body.

PubMed

Psikuta, Agnes; Kuklane, Kalev; Bogdan, Anna; Havenith, George; Annaheim, Simon; Rossi, René M

2016-03-01

Combining the strengths of an advanced mathematical model of human physiology and a thermal manikin is a new paradigm for simulating thermal behaviour of humans. However, the forerunners of such adaptive manikins showed some substantial limitations. This project aimed to determine the opportunities and constraints of the existing thermal manikins when dynamically controlled by a mathematical model of human thermal physiology. Four thermal manikins were selected and evaluated for their heat flux measurement uncertainty including lateral heat flows between manikin body parts and the response of each sector to the frequent change of the set-point temperature typical when using a physiological model for control. In general, all evaluated manikins are suitable for coupling with a physiological model with some recommendations for further improvement of manikin dynamic performance. The proposed methodology is useful to improve the performance of the adaptive manikins and help to provide a reliable and versatile tool for the broad research and development domain of clothing, automotive and building engineering.

Comparison between coupled KZK-BHTE numerical simulations and scanned HIFU exposures in excised bovine liver

NASA Astrophysics Data System (ADS)

Andrew, Marilee A.; Brayman, Andrew A.; Kaczkowski, Peter J.; Kargl, Steven G.

2004-05-01

The use of moving high intensity focused ultrasound (HIFU) treatment protocols is of interest in achieving efficient formation of large-volume lesions in tissue. However, potentially unwanted thermal effects, such as prefocal heating, should be considered. A KZK acoustic model coupled with the BioHeat Transfer Equation has been extended to simulate multiple, moving scans in tissue. Simulation results are compared with experimental data collected over a range of exposure regimes for linear and concentric circular scans with a 3.5-MHz single-element transducer in ex vivo bovine liver. Of particular interest are investigating prefocal thermal buildup and ablating the central core of a circular pattern through conductive heating, that is without direct HIFU exposure. Qualitative agreement is observed between experimental and simulated data; limits of the predictive capability of the model in cavitation regimes will be discussed. [Support provided by the U.S. Army Medical Research Acquisition Activity through The University of Mississippi under terms of Agreement No. DAMD17-02-2-0014. The opinions expressed herein are those of the author(s) and do not necessarily reflect the views of U.S. Army Medical Research Acquisition Activity or The University of Mississippi.

Synchronized Molecular-Dynamics simulation for thermal lubrication of a polymeric liquid between parallel plates

NASA Astrophysics Data System (ADS)

Yasuda, Shugo; Yamamoto, Ryoichi

2015-11-01

The Synchronized Molecular-Dynamics simulation which was recently proposed by authors is applied to the analysis of polymer lubrication between parallel plates. In the SMD method, the MD simulations are assigned to small fluid elements to calculate the local stresses and temperatures and are synchronized at certain time intervals to satisfy the macroscopic heat- and momentum-transport equations.The rheological properties and conformation of the polymer chains coupled with local viscous heating are investigated with a non-dimensional parameter, the Nahme-Griffith number, which is defined as the ratio of the viscous heating to the thermal conduction at the characteristic temperature required to sufficiently change the viscosity. The present simulation demonstrates that strong shear thinning and a transitional behavior of the conformation of the polymer chains are exhibited with a rapid temperature rise when the Nahme-Griffith number exceeds unity.The results also clarify that the reentrant transition of the linear stress-optical relation occurs for large shear stresses due to the coupling of the conformation of polymer chains with heat generation under shear flows. This study was financially supported by JSPS KAKENHI Grant Nos. 26790080 and 26247069.

Coupled thermal-hydrological-mechanical behavior of rock mass surrounding a high-temperature thermal energy storage cavern at shallow depth

DOE PAGES

Park, Jung-Wook; Rutqvist, Jonny; Ryu, Dongwoo; ...

2016-01-15

The present study is aimed at numerically examining the thermal-hydrological-mechanical (THM) processes within the rock mass surrounding a cavern used for thermal energy storage (TES). We considered a cylindrical rock cavern with a height of 50 m and a radius of 10 m storing thermal energy of 350ºC as a conceptual TES model and simulated its operation for 30 years using THM coupled numerical modeling. At first, the insulator performance was not considered for the purpose of investigating the possible coupled THM behavior of the surrounding rock mass; then, the effects of an insulator were examined for different insulator thicknesses.more » The key concerns were focused on the hydro-thermal multiphase flow and heat transport in the rock mass around the thermal storage cavern, the effect of evaporation of rock mass, thermal impact on near the ground surface and the mechanical behavior of the surrounding rock mass. It is shown that the rock temperature around the cavern rapidly increased in the early stage and, consequently, evaporation of groundwater occurred, raising the fluid pressure. However, evaporation and multiphase flow did not have a significant effect on the heat transfer and mechanical behavior in spite of the high-temperature (350ºC) heat source. The simulations showed that large-scale heat flow around a cavern was expected to be conductiondominated for a reasonable value of rock mass permeability. Thermal expansion as a result of the heating of the rock mass from the storage cavern led to a ground surface uplift on the order of a few centimeters and to the development of tensile stress above the storage cavern, increasing the potentials for shear and tensile failures after a few years of the operation. Finally, the analysis showed that high tangential stress in proximity of the storage cavern can some shear failure and local damage, although large rock wall failure could likely be controlled with appropriate insulators and reinforcement.« less

Report of NPSAT1 Battery Thermal Contact Resistance Testing, Modeling and Simulation

DTIC Science & Technology

2012-10-01

lithium ion battery is the spacecraft component with the smallest temperature range of 0?C to 45?C during operation. Thermal analysis results, however, can only provide adequate results if there is sufficient fidelity in thermal modeling. Arguably, the values used in defining thermal coupling for components are the most difficult to estimate because of the many variables that define them. This document describes the work performed by the authors starting in the 2012 winter quarter as part of the SS3900 directed study course. The objectives of the study were to

Coupling of Mechanical Behavior of Lithium Ion Cells to Electrochemical-Thermal (ECT) Models for Battery Crush

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Chao; Santhanagopalan, Shriram; Pesaran, Ahmad

Vehicle crashes can lead to crushing of the battery, damaging lithium ion battery cells and causing local shorts, heat generation, and thermal runaway. Simulating all the physics and geometries at the same time is challenging and takes a lot of effort; thus, simplifications are needed. We developed a material model for simultaneously modeling the mechanical-electrochemical-thermal behavior, which predicted the electrical short, voltage drop, and thermal runaway behaviors followed by a mechanical abuse-induced short. The effect of short resistance on the battery cell performance was studied.

Drilling in bone: modeling heat generation and temperature distribution.

PubMed

Davidson, Sean R; James, David F

2003-06-01

Thermo-mechanical equations were developed from machining theory to predict heat generation due to drilling and were coupled with a heat transfer FEM simulation to predict the temperature rise and thermal injury in bone during a drilling operation. The rotational speed, feed rate, drill geometry and bone material properties were varied in a parametric analysis to determine the importance of each on temperature rise and therefore on thermal damage. It was found that drill speed, feed rate and drill diameter had the most significant thermal impact while changes in drill helix angle, point angle and bone thermal properties had relatively little effect.

Advanced Reactors-Intermediate Heat Exchanger (IHX) Coupling: Theoretical Modeling and Experimental Validation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Utgikar, Vivek; Sun, Xiaodong; Christensen, Richard

2016-12-29

The overall goal of the research project was to model the behavior of the advanced reactorintermediate heat exchange system and to develop advanced control techniques for off-normal conditions. The specific objectives defined for the project were: 1. To develop the steady-state thermal hydraulic design of the intermediate heat exchanger (IHX); 2. To develop mathematical models to describe the advanced nuclear reactor-IHX-chemical process/power generation coupling during normal and off-normal operations, and to simulate models using multiphysics software; 3. To develop control strategies using genetic algorithm or neural network techniques and couple these techniques with the multiphysics software; 4. To validate themore » models experimentally The project objectives were accomplished by defining and executing four different tasks corresponding to these specific objectives. The first task involved selection of IHX candidates and developing steady state designs for those. The second task involved modeling of the transient and offnormal operation of the reactor-IHX system. The subsequent task dealt with the development of control strategies and involved algorithm development and simulation. The last task involved experimental validation of the thermal hydraulic performances of the two prototype heat exchangers designed and fabricated for the project at steady state and transient conditions to simulate the coupling of the reactor- IHX-process plant system. The experimental work utilized the two test facilities at The Ohio State University (OSU) including one existing High-Temperature Helium Test Facility (HTHF) and the newly developed high-temperature molten salt facility.« less

Thermal effect on the dynamic infiltration of water into single-walled carbon nanotubes.

PubMed

Zhao, Jianbing; Liu, Ling; Culligan, Patricia J; Chen, Xi

2009-12-01

Thermally induced variation in wetting ability in a confined nanoenvironment, indicated by the change in infiltration pressure as water molecules enter a model single-walled carbon nanotube submerged in aqueous environment, is investigated using molecular dynamics simulations. The temperature-dependent infiltration behavior is impacted in part by the thermally excited radial oscillation of the carbon nanotube, and in part by the variations of fundamental physical properties at the molecular level, including the hydrogen bonding interaction. The thermal effect is also closely coupled with the nanotube size effect and loading rate effect. Manipulation of the thermally responsive infiltration properties could facilitate the development of a next-generation thermal energy converter based on nanoporous materials.

Hydrodynamic interactions induce movement against an external load in a ratchet dimer Brownian motor.

PubMed

Fornés, José A

2010-01-15

We use the Brownian dynamics with hydrodynamic interactions simulation in order to describe the movement of a elastically coupled dimer Brownian motor in a ratchet potential. The only external forces considered in our system were the load, the random thermal noise and an unbiased thermal fluctuation. For a given set of parameters we observe direct movement against the load force if hydrodynamic interactions were considered.

Lightning Strike Ablation Damage Influence Factors Analysis of Carbon Fiber/Epoxy Composite Based on Coupled Electrical-Thermal Simulation

NASA Astrophysics Data System (ADS)

Yin, J. J.; Chang, F.; Li, S. L.; Yao, X. L.; Sun, J. R.; Xiao, Y.

2017-10-01

According to the mathematical analysis model constructed on the basis of energy-balance relationship in lightning strike, and accompany with the simplified calculation strategy of composite resin pyrolysis degree dependent electrical conductivity, an effective three dimensional thermal-electrical coupling analysis finite element model of composite laminate suffered from lightning current was established based on ABAQUS, to elucidate the effects of lighting current waveform parameters and thermal/electrical properties of composite laminate on the extent of ablation damage. Simulated predictions agree well with the composite lightning strike directed effect experimental data, illustrating the potential accuracy of the constructed model. The analytical results revealed that extent of composite lightning strike ablation damage can be characterized by action integral validly, there exist remarkable power function relationships between action integral and visual damage area, projected damage area, maximum damage depth and damage volume of ablation damage, and enhancing the electrical conductivity and specific heat of composite, ablation damage will be descended obviously, power function relationships also exist between electrical conductivity, specific heat and ablation damage, however, the impact of thermal conductivity on the extent of ablation damage is not notable. The conclusions obtained provide some guidance for composite anti-lightning strike structure-function integration design.

Study of light-absorbing crystal birefringence and electrical modulation mechanisms for coupled thermal-optical effects.

PubMed

Zhou, Ji; He, Zhihong; Ma, Yu; Dong, Shikui

2014-09-20

This paper discusses Gaussian laser transmission in double-refraction crystal whose incident light wavelength is within its absorption wave band. Two scenarios for coupled radiation and heat conduction are considered: one is provided with an applied external electric field, the other is not. A circular heat source with a Gaussian energy distribution is introduced to present the crystal's light-absorption process. The electromagnetic field frequency domain analysis equation and energy equation are solved to simulate the phenomenon by using the finite element method. It focuses on the influence of different values such as wavelength, incident light intensity, heat transfer coefficient, ambient temperature, crystal thickness, and applied electric field strength. The results show that the refraction index of polarized light increases with the increase of crystal temperature. It decreases as the strength of the applied electric field increases if it is positive. The mechanism of electrical modulation for the thermo-optical effect is used to keep the polarized light's index of refraction constant in our simulation. The quantitative relation between thermal boundary condition and strength of applied electric field during electrical modulation is determined. Numerical results indicate a possible approach to removing adverse thermal effects such as depolarization and wavefront distortion, which are caused by thermal deposition during linear laser absorption.

Sequence-dependent nucleosome sliding in rotation-coupled and uncoupled modes revealed by molecular simulations

PubMed Central

Tan, Cheng; Takada, Shoji

2017-01-01

While nucleosome positioning on eukaryotic genome play important roles for genetic regulation, molecular mechanisms of nucleosome positioning and sliding along DNA are not well understood. Here we investigated thermally-activated spontaneous nucleosome sliding mechanisms developing and applying a coarse-grained molecular simulation method that incorporates both long-range electrostatic and short-range hydrogen-bond interactions between histone octamer and DNA. The simulations revealed two distinct sliding modes depending on the nucleosomal DNA sequence. A uniform DNA sequence showed frequent sliding with one base pair step in a rotation-coupled manner, akin to screw-like motions. On the contrary, a strong positioning sequence, the so-called 601 sequence, exhibits rare, abrupt transitions of five and ten base pair steps without rotation. Moreover, we evaluated the importance of hydrogen bond interactions on the sliding mode, finding that strong and weak bonds favor respectively the rotation-coupled and -uncoupled sliding movements. PMID:29194442

Isentropic Compression up to 200 KBars for LX 04, Numerical Simulations and Comparison with Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lefrancois, A.; Hare, D.; L'Eplattenier, P.

2006-02-13

Isentropic compression experiments and numerical simulations on LX-04 (HMX / Viton 85/15) were performed respectively at Z accelerator facility from Sandia National Laboratory and at Lawrence Livermore National Laboratory in order to study the isentrope and associated Hugoniot of this HE. 2D and 3D configurations have been calculated here to test the new beta version of the electromagnetism package coupled with the dynamics in Ls-Dyna and compared with the ICE Z shot 1067 on LX 04. The electromagnetism module is being developed in the general-purpose explicit and implicit finite element program LS-DYNA{reg_sign} in order to perform coupled mechanical/thermal/electromagnetism simulations. Themore » Maxwell equations are solved using a Finite Element Method (FEM) for the solid conductors coupled with a Boundary Element Method (BEM) for the surrounding air (or vacuum). More details can be read in the references.« less

Universal attractor in a highly occupied non-Abelian plasma

NASA Astrophysics Data System (ADS)

Berges, J.; Boguslavski, K.; Schlichting, S.; Venugopalan, R.

2014-06-01

We study the thermalization process in highly occupied non-Abelian plasmas at weak coupling. The nonequilibrium dynamics of such systems is classical in nature and can be simulated with real-time lattice gauge theory techniques. We provide a detailed discussion of this framework and elaborate on the results reported in J. Berges, K. Boguslavski, S. Schlichting, and R. Venugopalan, Phys. Rev. D 89, 074011 (2014), 10.1103/PhysRevD.89.074011 along with novel findings. We demonstrate the emergence of universal attractor solutions, which govern the nonequilibrium evolution on large time scales both for nonexpanding and expanding non-Abelian plasmas. The turbulent attractor for a nonexpanding plasma drives the system close to thermal equilibrium on a time scale t ˜Q-1αs-7/4. The attractor solution for an expanding non-Abelian plasma leads to a strongly interacting albeit highly anisotropic system at the transition to the low-occupancy or quantum regime. This evolution in the classical regime is, within the uncertainties of our simulations, consistent with the "bottom up" thermalization scenario [R. Baier, A. H. Mueller, D. Schiff, and D. T. Son, Phys. Lett. B 502, 51 (2001), 10.1016/S0370-2693(01)00191-5]. While the focus of this paper is to understand the nonequilibrium dynamics in weak coupling asymptotics, we also discuss the relevance of our results for larger couplings in the early time dynamics of heavy ion collision experiments.

Validation of NASA Thermal Ice Protection Computer Codes. Part 3; The Validation of Antice

NASA Technical Reports Server (NTRS)

Al-Khalil, Kamel M.; Horvath, Charles; Miller, Dean R.; Wright, William B.

2001-01-01

An experimental program was generated by the Icing Technology Branch at NASA Glenn Research Center to validate two ice protection simulation codes: (1) LEWICE/Thermal for transient electrothermal de-icing and anti-icing simulations, and (2) ANTICE for steady state hot gas and electrothermal anti-icing simulations. An electrothermal ice protection system was designed and constructed integral to a 36 inch chord NACA0012 airfoil. The model was fully instrumented with thermo-couples, RTD'S, and heat flux gages. Tests were conducted at several icing environmental conditions during a two week period at the NASA Glenn Icing Research Tunnel. Experimental results of running-wet and evaporative cases were compared to the ANTICE computer code predictions and are presented in this paper.

Tunable heat conduction through coupled Fermi-Pasta-Ulam chains

NASA Astrophysics Data System (ADS)

Su, Ruixia; Yuan, Zongqiang; Wang, Jun; Zheng, Zhigang

2015-01-01

We conduct a study on heat conduction through coupled Fermi-Pasta-Ulam (FPU) chains by using classical molecular dynamics simulations. Our attention is dedicated to showing how the phonon transport is affected by the interchain coupling. It has been well accepted that the heat conduction could be impeded by the interchain interaction due to the interface phonon scattering. However, recent theoretical and experimental studies suggest that the thermal conductivity of nanoscale materials can be counterintuitively enhanced by the interaction with the substrate. In the present paper, by consecutively varying the interchain coupling intensity, we observed both enhancement and suppression of thermal transport through the coupled FPU chains. For weak interchain couplings, it is found that the heat flux increases with the coupling intensity, whereas in the case of strong interchain couplings, the energy transport is found to be suppressed by the interchain interaction. Based on the phonon spectral energy density method, we attribute the enhancement of the energy transport to the excited phonon modes (in addition to the intrinsic phonon modes), while the upward shift of the high-frequency phonon branch and the interface phonon-phonon scattering account for the suppressed heat conduction.

Thermal regime of an ice-wedge polygon landscape near Barrow, Alaska

NASA Astrophysics Data System (ADS)

Daanen, R. P.; Liljedahl, A. K.

2017-12-01

Tundra landscapes are changing all over the circumpolar Arctic due to permafrost degradation. Soil cracking and infilling of meltwater repeated over thousands of years form ice wedges, which produce the characteristic surface pattern of ice-wedge polygon tundra. Rapid top-down thawing of massive ice leads to differential ground subsidence and sets in motion a series of short- and long-term hydrological and ecological changes. Subsequent responses in the soil thermal regime drive further permafrost degradation and/or stabilization. Here we explore the soil thermal regime of an ice-wedge polygon terrain near Utqiagvik (formerly Barrow) with the Water balance Simulation Model (WaSiM). WaSiM is a hydro-thermal model developed to simulate the water balance at the watershed scale and was recently refined to represent the hydrological processes unique to cold climates. WaSiM includes modules that represent surface runoff, evapotranspiration, groundwater, and soil moisture, while active layer freezing and thawing is based on a direct coupling of hydrological and thermal processes. A new snow module expands the vadose zone calculations into the snow pack, allowing the model to simulate the snow as a porous medium similar to soil. Together with a snow redistribution algorithm based on local topography, this latest addition to WaSiM makes simulation of the ground thermal regime much more accurate during winter months. Effective representation of ground temperatures during winter is crucial in the simulation of the permafrost thermal regime and allows for refined predictions of future ice-wedge degradation or stabilization.

A micro-scale cutting model for UD CFRP composites with thermo-mechanical coupling

DOE PAGES

Cheng, Hui; Gao, Jiaying; Kafka, Orion Landauer; ...

2017-09-23

Cutting a unidirectional carbon fiber-reinforced polymer (UD CFRP) structure is the basic unit for CFRP machining, which is a complex thermal-mechanically coupled process. To reveal the deformation mechanism and predict cutting force in UD CFRP micro cutting, a micro-scale fracture model for UD CFRP cutting with thermal-mechanical coupling is demonstrated in this paper, which captures the failure modes for fibers, matrix and the interface based on a micro-level RVE using a relatively simple damage based fracture method. The thermal-mechanical coupling model at the micro scale is developed on the basis of the plastic energy dissipation and frictional heating during cutting.more » Failure models for the fiber, matrix and interface region are applied depending on the material properties of each of these three phases. Numerical simulations based on the above model with different fiber orientations were performed to predict the deformation and forces of different components in UD CFRP. Cutting experiments with the same fiber orientations as considered in the simulations were carried out to validate the force and deformation results. The predicted force and deformation patterns match well with evidence from our experiments. In general, the cutting force is larger than the thrust force regardless of fiber orientation. The cutting force reaches a maximum as the fiber orientation approaches 90 , but thrust forces do not vary substantially across cases. When the fiber orientation is acute, the deformation of fibers is much smaller than when the cutting angle is obtuse. Surface roughness follows the same trend with cutting angle as fiber deformation.« less

A micro-scale cutting model for UD CFRP composites with thermo-mechanical coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Hui; Gao, Jiaying; Kafka, Orion Landauer

Cutting a unidirectional carbon fiber-reinforced polymer (UD CFRP) structure is the basic unit for CFRP machining, which is a complex thermal-mechanically coupled process. To reveal the deformation mechanism and predict cutting force in UD CFRP micro cutting, a micro-scale fracture model for UD CFRP cutting with thermal-mechanical coupling is demonstrated in this paper, which captures the failure modes for fibers, matrix and the interface based on a micro-level RVE using a relatively simple damage based fracture method. The thermal-mechanical coupling model at the micro scale is developed on the basis of the plastic energy dissipation and frictional heating during cutting.more » Failure models for the fiber, matrix and interface region are applied depending on the material properties of each of these three phases. Numerical simulations based on the above model with different fiber orientations were performed to predict the deformation and forces of different components in UD CFRP. Cutting experiments with the same fiber orientations as considered in the simulations were carried out to validate the force and deformation results. The predicted force and deformation patterns match well with evidence from our experiments. In general, the cutting force is larger than the thrust force regardless of fiber orientation. The cutting force reaches a maximum as the fiber orientation approaches 90 , but thrust forces do not vary substantially across cases. When the fiber orientation is acute, the deformation of fibers is much smaller than when the cutting angle is obtuse. Surface roughness follows the same trend with cutting angle as fiber deformation.« less

User's guide of TOUGH2-EGS-MP: A Massively Parallel Simulator with Coupled Geomechanics for Fluid and Heat Flow in Enhanced Geothermal Systems VERSION 1.0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiong, Yi; Fakcharoenphol, Perapon; Wang, Shihao

2013-12-01

TOUGH2-EGS-MP is a parallel numerical simulation program coupling geomechanics with fluid and heat flow in fractured and porous media, and is applicable for simulation of enhanced geothermal systems (EGS). TOUGH2-EGS-MP is based on the TOUGH2-MP code, the massively parallel version of TOUGH2. In TOUGH2-EGS-MP, the fully-coupled flow-geomechanics model is developed from linear elastic theory for thermo-poro-elastic systems and is formulated in terms of mean normal stress as well as pore pressure and temperature. Reservoir rock properties such as porosity and permeability depend on rock deformation, and the relationships between these two, obtained from poro-elasticity theories and empirical correlations, are incorporatedmore » into the simulation. This report provides the user with detailed information on the TOUGH2-EGS-MP mathematical model and instructions for using it for Thermal-Hydrological-Mechanical (THM) simulations. The mathematical model includes the fluid and heat flow equations, geomechanical equation, and discretization of those equations. In addition, the parallel aspects of the code, such as domain partitioning and communication between processors, are also included. Although TOUGH2-EGS-MP has the capability for simulating fluid and heat flows coupled with geomechanical effects, it is up to the user to select the specific coupling process, such as THM or only TH, in a simulation. There are several example problems illustrating applications of this program. These example problems are described in detail and their input data are presented. Their results demonstrate that this program can be used for field-scale geothermal reservoir simulation in porous and fractured media with fluid and heat flow coupled with geomechanical effects.« less

Simulation of Thin-Film Damping and Thermal Mechanical Noise Spectra for Advanced Micromachined Microphone Structures.

PubMed

Hall, Neal A; Okandan, Murat; Littrell, Robert; Bicen, Baris; Degertekin, F Levent

2008-06-01

In many micromachined sensors the thin (2-10 μm thick) air film between a compliant diaphragm and backplate electrode plays a dominant role in shaping both the dynamic and thermal noise characteristics of the device. Silicon microphone structures used in grating-based optical-interference microphones have recently been introduced that employ backplates with minimal area to achieve low damping and low thermal noise levels. Finite-element based modeling procedures based on 2-D discretization of the governing Reynolds equation are ideally suited for studying thin-film dynamics in such structures which utilize relatively complex backplate geometries. In this paper, the dynamic properties of both the diaphragm and thin air film are studied using a modal projection procedure in a commonly used finite element software and the results are used to simulate the dynamic frequency response of the coupled structure to internally generated electrostatic actuation pressure. The model is also extended to simulate thermal mechanical noise spectra of these advanced sensing structures. In all cases simulations are compared with measured data and show excellent agreement-demonstrating 0.8 pN/√Hz and 1.8 μPa/√Hz thermal force and thermal pressure noise levels, respectively, for the 1.5 mm diameter structures under study which have a fundamental diaphragm resonance-limited bandwidth near 20 kHz.

Simulating Thermal Cycling and Isothermal Deformation Response of Polycrystalline NiTi

NASA Technical Reports Server (NTRS)

Manchiraju, Sivom; Gaydosh, Darrell J.; Noebe, Ronald D.; Anderson, Peter M.

2011-01-01

A microstructure-based FEM model that couples crystal plasticity, crystallographic descriptions of the B2-B19' martensitic phase transformation, and anisotropic elasticity is used to simulate thermal cycling and isothermal deformation in polycrystalline NiTi (49.9at% Ni). The model inputs include anisotropic elastic properties, polycrystalline texture, DSC data, and a subset of isothermal deformation and load-biased thermal cycling data. A key experimental trend is captured.namely, the transformation strain during thermal cycling is predicted to reach a peak with increasing bias stress, due to the onset of plasticity at larger bias stress. Plasticity induces internal stress that affects both thermal cycling and isothermal deformation responses. Affected thermal cycling features include hysteretic width, two-way shape memory effect, and evolution of texture with increasing bias stress. Affected isothermal deformation features include increased hardening during loading and retained martensite after unloading. These trends are not captured by microstructural models that lack plasticity, nor are they all captured in a robust manner by phenomenological approaches. Despite this advance in microstructural modeling, quantitative differences exist, such as underprediction of open loop strain during thermal cycling.

Phonon thermal properties of graphene on h-BN from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Zou, Ji-Hang; Cao, Bing-Yang

2017-03-01

Phonon thermal properties of graphene on hexagonal boron nitride are investigated by the molecular dynamics simulations combined with lattice dynamics theory. It is found that the dispersion curves have minor changes for supported graphene because the interlayer coupling is too weak to shift the harmonic phonon properties. The ZA and ZO phonon lifetimes are significantly reduced in supported graphene due to the breakdown of the symmetry-based selection rule. The dominant mean free path (MFP) of graphene is reduced from 90-800 nm to 60-500 nm at 300 K. The mode thermal conductivities of free and supported graphene are 3517 W/ (m.K) and 2200 W/ (m.K) at 300 K, respectively. The thermal conductivity of supported graphene decreases by about 37.4% due to the large reduction of flexural phonon lifetimes, and the relative contribution of flexural modes decreases from 35.0% to 16.7%.

Thermal Ablation Modeling for Silicate Materials

NASA Technical Reports Server (NTRS)

Chen, Yih-Kanq

2016-01-01

A thermal ablation model for silicates is proposed. The model includes the mass losses through the balance between evaporation and condensation, and through the moving molten layer driven by surface shear force and pressure gradient. This model can be applied in ablation simulations of the meteoroid or glassy Thermal Protection Systems for spacecraft. Time-dependent axi-symmetric computations are performed by coupling the fluid dynamics code, Data-Parallel Line Relaxation program, with the material response code, Two-dimensional Implicit Thermal Ablation simulation program, to predict the mass lost rates and shape change. For model validation, the surface recession of fused amorphous quartz rod is computed, and the recession predictions reasonably agree with available data. The present parametric studies for two groups of meteoroid earth entry conditions indicate that the mass loss through moving molten layer is negligibly small for heat-flux conditions at around 1 MW/cm(exp. 2).

Modelling and optimization of transient processes in line focusing power plants with single-phase heat transfer medium

NASA Astrophysics Data System (ADS)

Noureldin, K.; González-Escalada, L. M.; Hirsch, T.; Nouri, B.; Pitz-Paal, R.

2016-05-01

A large number of commercial and research line focusing solar power plants are in operation and under development. Such plants include parabolic trough collectors (PTC) or linear Fresnel using thermal oil or molten salt as the heat transfer medium (HTM). However, the continuously varying and dynamic solar condition represent a big challenge for the plant control in order to optimize its power production and to keep the operation safe. A better understanding of the behaviour of such power plants under transient conditions will help reduce defocusing instances, improve field control, and hence, increase the energy yield and confidence in this new technology. Computational methods are very powerful and cost-effective tools to gain such understanding. However, most simulation models described in literature assume equal mass flow distributions among the parallel loops in the field or totally decouple the flow and thermal conditions. In this paper, a new numerical model to simulate a whole solar field with single-phase HTM is described. The proposed model consists of a hydraulic part and a thermal part that are coupled to account for the effect of the thermal condition of the field on the flow distribution among the parallel loops. The model is specifically designed for large line-focusing solar fields offering a high degree of flexibility in terms of layout, condition of the mirrors, and spatially resolved DNI data. Moreover, the model results have been compared to other simulation tools, as well as experimental and plant data, and the results show very good agreement. The model can provide more precise data to the control algorithms to improve the plant control. In addition, short-term and accurate spatially discretized DNI forecasts can be used as input to predict the field behaviour in-advance. In this paper, the hydraulic and thermal parts, as well as the coupling procedure, are described and some validation results and results of simulating an example field are shown.

Coupled structural, thermal, phase-change and electromagnetic analysis for superconductors, volume 1

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.; Farhat, Charbel; Park, K. C.; Militello, Carmelo; Schuler, James J.

1993-01-01

This research program has dealt with the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromagnetic subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase-change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements; (2) finite element modeling of the electromagnetic problem; (3) coupling of thermal and mechanical effects; and (4) computer implementation and solution of the superconductivity transition problem. The research was carried out over the period September 1988 through March 1993. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles; (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements; and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects; and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The grant has fully supported the thesis work of one doctoral student (James Schuler, who started on January 1989 and completed on January 1993), and partly supported another thesis (Carmelo Militello, who started graduate work on January 1988 completing on August 1991). Twenty-three publications have acknowledged full or part support from this grant, with 16 having appeared in archival journals and 3 in edited books or proceedings.

Influences of thermal deformation of cavity mirrors induced by high energy DF laser to beam quality under the simulated real physical circumstances

NASA Astrophysics Data System (ADS)

Deng, Shaoyong; Zhang, Shiqiang; He, Minbo; Zhang, Zheng; Guan, Xiaowei

2017-05-01

The positive-branch confocal unstable resonator with inhomogeneous gain medium was studied for the normal used high energy DF laser system. The fast changing process of the resonator's eigenmodes was coupled with the slow changing process of the thermal deformation of cavity mirrors. Influences of the thermal deformation of cavity mirrors to the outcoupled beam quality and transmission loss of high frequency components of high energy laser were computed. The simulations are done through programs compiled by MATLAB and GLAD software and the method of combination of finite elements and Fox-li iteration algorithm was used. Effects of thermal distortion, misaligned of cavity mirrors and inhomogeneous distribution of gain medium were introduced to simulate the real physical circumstances of laser cavity. The wavefront distribution and beam quality (including RMS of wavefront, power in the bucket, Strehl ratio, diffraction limit β, position of the beam spot center, spot size and intensity distribution in far-field ) of the distorted outcoupled beam were studied. The conclusions of the simulation agree with the experimental results. This work would supply references of wavefront correction range to the adaptive optics system of interior alleyway.

Kinetic Monte Carlo simulations for transient thermal fields: Computational methodology and application to the submicrosecond laser processes in implanted silicon.

PubMed

Fisicaro, G; Pelaz, L; Lopez, P; La Magna, A

2012-09-01

Pulsed laser irradiation of damaged solids promotes ultrafast nonequilibrium kinetics, on the submicrosecond scale, leading to microscopic modifications of the material state. Reliable theoretical predictions of this evolution can be achieved only by simulating particle interactions in the presence of large and transient gradients of the thermal field. We propose a kinetic Monte Carlo (KMC) method for the simulation of damaged systems in the extremely far-from-equilibrium conditions caused by the laser irradiation. The reference systems are nonideal crystals containing point defect excesses, an order of magnitude larger than the equilibrium density, due to a preirradiation ion implantation process. The thermal and, eventual, melting problem is solved within the phase-field methodology, and the numerical solutions for the space- and time-dependent thermal field were then dynamically coupled to the KMC code. The formalism, implementation, and related tests of our computational code are discussed in detail. As an application example we analyze the evolution of the defect system caused by P ion implantation in Si under nanosecond pulsed irradiation. The simulation results suggest a significant annihilation of the implantation damage which can be well controlled by the laser fluence.

RF tumour ablation: computer simulation and mathematical modelling of the effects of electrical and thermal conductivity.

PubMed

Lobo, S M; Liu, Z-J; Yu, N C; Humphries, S; Ahmed, M; Cosman, E R; Lenkinski, R E; Goldberg, W; Goldberg, S N

2005-05-01

This study determined the effects of thermal conductivity on RF ablation tissue heating using mathematical modelling and computer simulations of RF heating coupled to thermal transport. Computer simulation of the Bio-Heat equation coupled with temperature-dependent solutions for RF electric fields (ETherm) was used to generate temperature profiles 2 cm away from a 3 cm internally-cooled electrode. Multiple conditions of clinically relevant electrical conductivities (0.07-12 S m-1) and 'tumour' radius (5-30 mm) at a given background electrical conductivity (0.12 S m-1) were studied. Temperature response surfaces were plotted for six thermal conductivities, ranging from 0.3-2 W m-1 degrees C (the range of anticipated clinical and experimental systems). A temperature response surface was obtained for each thermal conductivity at 25 electrical conductivities and 17 radii (n=425 temperature data points). The simulated temperature response was fit to a mathematical model derived from prior phantom data. This mathematical model is of the form (T=a+bRc exp(dR) s(f) exp(g)(s)) for RF generator-energy dependent situations and (T=h+k exp(mR)+n?exp(p)(s)) for RF generator-current limited situations, where T is the temperature (degrees C) 2 cm from the electrode and a, b, c, d, f, g, h, k, m, n and p are fitting parameters. For each of the thermal conductivity temperature profiles generated, the mathematical model fit the response surface to an r2 of 0.97-0.99. Parameters a, b, c, d, f, k and m were highly correlated to thermal conductivity (r2=0.96-0.99). The monotonic progression of fitting parameters permitted their mathematical expression using simple functions. Additionally, the effect of thermal conductivity simplified the above equation to the extent that g, h, n and p were found to be invariant. Thus, representation of the temperature response surface could be accurately expressed as a function of electrical conductivity, radius and thermal conductivity. As a result, the non-linear temperature response of RF induced heating can be adequately expressed mathematically as a function of electrical conductivity, radius and thermal conductivity. Hence, thermal conductivity accounts for some of the previously unexplained variance. Furthermore, the addition of this variable into the mathematical model substantially simplifies the equations and, as such, it is expected that this will permit improved prediction of RF ablation induced temperatures in clinical practice.

The Effects of the Organic-Inorganic Interactions on the Thermal Transport Properties of CH3NH3PbI3.

PubMed

Hata, Tomoyuki; Giorgi, Giacomo; Yamashita, Koichi

2016-04-13

Methylammonium lead iodide perovskite (CH3NH3PbI3), the most investigated hybrid organic-inorganic halide perovskite, is characterized by a quite low thermal conductivity. The rotational motion of methylammonium cations is considered responsible for phonon transport suppression; however, to date, the specific mechanism of the process has not been clarified. In this study, we elucidate the role of rotations in thermal properties based on molecular dynamics simulations. To do it, we developed an empirical potential for CH3NH3PbI3 by fitting to ab initio calculations and evaluated its thermal conductivity by means of nonequilibrium molecular dynamics. Results are compared with model systems that include different embedded cations, and this comparison shows a dominant suppression effect provided by rotational motions. We also checked the temperature dependence of the vibrational density of states and specified the energy range in which anharmonic couplings occur. By means of phonon dispersion analysis, we were able to fully elucidate the suppression mechanism: the rotations are coupled with translational motions of cations, via which inorganic lattice vibrations are coupled and scatter each other.

Multi-phase models for water and thermal management of proton exchange membrane fuel cell: A review

NASA Astrophysics Data System (ADS)

Zhang, Guobin; Jiao, Kui

2018-07-01

The 3D (three-dimensional) multi-phase CFD (computational fluid dynamics) model is widely utilized in optimizing water and thermal management of PEM (proton exchange membrane) fuel cell. However, a satisfactory 3D multi-phase CFD model which is able to simulate the detailed gas and liquid two-phase flow in channels and reflect its effect on performance precisely is still not developed due to the coupling difficulties and computation amount. Meanwhile, the agglomerate model of CL (catalyst layer) should also be added in 3D CFD model so as to better reflect the concentration loss and optimize CL structure in macroscopic scale. Besides, the effect of thermal management is perhaps underestimated in current 3D multi-phase CFD simulations due to the lack of coolant channel in computation domain and constant temperature boundary condition. Therefore, the 3D CFD simulations in cell and stack levels with convection boundary condition are suggested to simulate the water and thermal management more accurately. Nevertheless, with the rapid development of PEM fuel cell, current 3D CFD simulations are far from practical demand, especially at high current density and low to zero humidity and for the novel designs developed recently, such as: metal foam flow field, 3D fine mesh flow field, anode circulation etc.

Modeling of thermal coupling in VO2-based oscillatory neural networks

NASA Astrophysics Data System (ADS)

Velichko, Andrey; Belyaev, Maksim; Putrolaynen, Vadim; Perminov, Valentin; Pergament, Alexander

2018-01-01

In this study, we have demonstrated the possibility of using the thermal coupling to control the dynamics of operation of coupled VO2 oscillators. Based on the example of a 'switch-microheater' pair, we have explored the synchronization and dissynchronization modes of a single oscillator with respect to an external harmonic heat impact. The features of changes in the spectra are shown, in particular, the effect of the natural frequency attraction to the affecting signal frequency and the self-oscillation noise reduction effects at synchronization. The time constant of the temperature effect for the considered system configuration is in the range 7-140 μs, which allows operation in the oscillation frequency range of up to ∼70 kHz. A model estimate of the minimum temperature sensitivity of the switch is δTswitch ∼ 0.2 K, and the effective action radius RTC of the switch-to-switch thermal coupling is not less than 25 μm. Nevertheless, as the simulation shows, the frequency range can be significantly extended up to the values of 1-30 GHz if using nanometer-scale switches (heaters).

Numerical Modeling of Thermal-Hydrology in the Near Field of a Generic High-Level Waste Repository

NASA Astrophysics Data System (ADS)

Matteo, E. N.; Hadgu, T.; Park, H.

2016-12-01

Disposal in a deep geologic repository is one of the preferred option for long term isolation of high-level nuclear waste. Coupled thermal-hydrologic processes induced by decay heat from the radioactive waste may impact fluid flow and the associated migration of radionuclides. This study looked at the effects of those processes in simulations of thermal-hydrology for the emplacement of U. S. Department of Energy managed high-level waste and spent nuclear fuel. Most of the high-level waste sources have lower thermal output which would reduce the impact of thermal propagation. In order to quantify the thermal limits this study concentrated on the higher thermal output sources and on spent nuclear fuel. The study assumed a generic nuclear waste repository at 500 m depth. For the modeling a representative domain was selected representing a portion of the repository layout in order to conduct a detailed thermal analysis. A highly refined unstructured mesh was utilized with refinements near heat sources and at intersections of different materials. Simulations looked at different values for properties of components of the engineered barrier system (i.e. buffer, disturbed rock zone and the host rock). The simulations also looked at the effects of different durations of surface aging of the waste to reduce thermal perturbations. The PFLOTRAN code (Hammond et al., 2014) was used for the simulations. Modeling results for the different options are reported and include temperature and fluid flow profiles in the near field at different simulation times. References:G. E. Hammond, P.C. Lichtner and R.T. Mills, "Evaluating the Performance of Parallel Subsurface Simulators: An Illustrative Example with PFLOTRAN", Water Resources Research, 50, doi:10.1002/2012WR013483 (2014). Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. SAND2016-7510 A

Coherent two-dimensional terahertz-terahertz-Raman spectroscopy.

PubMed

Finneran, Ian A; Welsch, Ralph; Allodi, Marco A; Miller, Thomas F; Blake, Geoffrey A

2016-06-21

We present 2D terahertz-terahertz-Raman (2D TTR) spectroscopy, the first technique, to our knowledge, to interrogate a liquid with multiple pulses of terahertz (THz) light. This hybrid approach isolates nonlinear signatures in isotropic media, and is sensitive to the coupling and anharmonicity of thermally activated THz modes that play a central role in liquid-phase chemistry. Specifically, by varying the timing between two intense THz pulses, we control the orientational alignment of molecules in a liquid, and nonlinearly excite vibrational coherences. A comparison of experimental and simulated 2D TTR spectra of bromoform (CHBr3), carbon tetrachloride (CCl4), and dibromodichloromethane (CBr2Cl2) shows previously unobserved off-diagonal anharmonic coupling between thermally populated vibrational modes.

Thermal Diodes Based on Near-Field Radiation

DTIC Science & Technology

2015-10-01

silicon dioxide (SiO2) for its surface phonon polariton resonances, at 495 cm-1 and 1160 cm-1, known to allow near-field heat transfer. Silicon...transfer between two nano-beams – a fixed and a mobile one. At small gap, evanescent surface polariton resonances at the SiO2 surfaces couple to...the predictions of boundary element method simulations for parallel nanobeams. OCIS codes: (240.5420) Polaritons ; (290.6815) Thermal Emission

Thermal energy and economic analysis of a PCM-enhanced household envelope considering different climate zones in Morocco

NASA Astrophysics Data System (ADS)

Kharbouch, Yassine; Mimet, Abdelaziz; El Ganaoui, Mohammed; Ouhsaine, Lahoucine

2018-07-01

This study investigates the thermal energy potentials and economic feasibility of an air-conditioned family household-integrated phase change material (PCM) considering different climate zones in Morocco. A simulation-based optimisation was carried out in order to define the optimal design of a PCM-enhanced household envelope for thermal energy effectiveness and cost-effectiveness of predefined candidate solutions. The optimisation methodology is based on coupling Energyplus® as a dynamic simulation tool and GenOpt® as an optimisation tool. Considering the obtained optimum design strategies, a thermal energy and economic analysis are carried out to investigate PCMs' integration feasibility in the Moroccan constructions. The results show that the PCM-integrated household envelope allows minimising the cooling/heating thermal energy demand vs. a reference household without PCM. While for the cost-effectiveness optimisation, it has been deduced that the economic feasibility is stilling insufficient under the actual PCM market conditions. The optimal design parameters results are also analysed.

Interior and exterior ballistics coupled optimization with constraints of attitude control and mechanical-thermal conditions

NASA Astrophysics Data System (ADS)

Liang, Xin-xin; Zhang, Nai-min; Zhang, Yan

2016-07-01

For solid launch vehicle performance promotion, a modeling method of interior and exterior ballistics associated optimization with constraints of attitude control and mechanical-thermal condition is proposed. Firstly, the interior and external ballistic models of the solid launch vehicle are established, and the attitude control model of the high wind area and the stage of the separation is presented, and the load calculation model of the drag reduction device is presented, and thermal condition calculation model of flight is presented. Secondly, the optimization model is established to optimize the range, which has internal and external ballistic design parameters as variables selected by sensitivity analysis, and has attitude control and mechanical-thermal conditions as constraints. Finally, the method is applied to the optimal design of a three stage solid launch vehicle simulation with differential evolution algorithm. Simulation results are shown that range capability is improved by 10.8%, and both attitude control and mechanical-thermal conditions are satisfied.

Hybrid annealing: Coupling a quantum simulator to a classical computer

NASA Astrophysics Data System (ADS)

Graß, Tobias; Lewenstein, Maciej

2017-05-01

Finding the global minimum in a rugged potential landscape is a computationally hard task, often equivalent to relevant optimization problems. Annealing strategies, either classical or quantum, explore the configuration space by evolving the system under the influence of thermal or quantum fluctuations. The thermal annealing dynamics can rapidly freeze the system into a low-energy configuration, and it can be simulated well on a classical computer, but it easily gets stuck in local minima. Quantum annealing, on the other hand, can be guaranteed to find the true ground state and can be implemented in modern quantum simulators; however, quantum adiabatic schemes become prohibitively slow in the presence of quasidegeneracies. Here, we propose a strategy which combines ideas from simulated annealing and quantum annealing. In such a hybrid algorithm, the outcome of a quantum simulator is processed on a classical device. While the quantum simulator explores the configuration space by repeatedly applying quantum fluctuations and performing projective measurements, the classical computer evaluates each configuration and enforces a lowering of the energy. We have simulated this algorithm for small instances of the random energy model, showing that it potentially outperforms both simulated thermal annealing and adiabatic quantum annealing. It becomes most efficient for problems involving many quasidegenerate ground states.

Model coupling methodology for thermo-hydro-mechanical-chemical numerical simulations in integrated assessment of long-term site behaviour

NASA Astrophysics Data System (ADS)

Kempka, Thomas; De Lucia, Marco; Kühn, Michael

2015-04-01

The integrated assessment of long-term site behaviour taking into account a high spatial resolution at reservoir scale requires a sophisticated methodology to represent coupled thermal, hydraulic, mechanical and chemical processes of relevance. Our coupling methodology considers the time-dependent occurrence and significance of multi-phase flow processes, mechanical effects and geochemical reactions (Kempka et al., 2014). Hereby, a simplified hydro-chemical coupling procedure was developed (Klein et al., 2013) and validated against fully coupled hydro-chemical simulations (De Lucia et al., 2015). The numerical simulation results elaborated for the pilot site Ketzin demonstrate that mechanical reservoir, caprock and fault integrity are maintained during the time of operation and that after 10,000 years CO2 dissolution is the dominating trapping mechanism and mineralization occurs on the order of 10 % to 25 % with negligible changes to porosity and permeability. De Lucia, M., Kempka, T., Kühn, M. A coupling alternative to reactive transport simulations for long-term prediction of chemical reactions in heterogeneous CO2 storage systems (2014) Geosci Model Dev Discuss 7:6217-6261. doi:10.5194/gmdd-7-6217-2014. Kempka, T., De Lucia, M., Kühn, M. Geomechanical integrity verification and mineral trapping quantification for the Ketzin CO2 storage pilot site by coupled numerical simulations (2014) Energy Procedia 63:3330-3338, doi:10.1016/j.egypro.2014.11.361. Klein E, De Lucia M, Kempka T, Kühn M. Evaluation of longterm mineral trapping at the Ketzin pilot site for CO2 storage: an integrative approach using geo-chemical modelling and reservoir simulation. Int J Greenh Gas Con 2013; 19:720-730. doi:10.1016/j.ijggc.2013.05.014.

MOD3D: a model for incorporating MODTRAN radiative transfer into 3D simulations

NASA Astrophysics Data System (ADS)

Berk, Alexander; Anderson, Gail P.; Gossage, Brett N.

2001-08-01

MOD3D, a rapid and accurate radiative transport algorithm, is being developed for application to 3D simulations. MOD3D couples to optical property databases generated by the MODTRAN4 Correlated-k (CK) band model algorithm. The Beer's Law dependence of the CK algorithm provides for proper coupling of illumination and line-of-sight paths. Full 3D spatial effects are modeled by scaling and interpolating optical data to local conditions. A C++ version of MOD3D has been integrated into JMASS for calculation of path transmittances, thermal emission and single scatter solar radiation. Results from initial validation efforts are presented.

Coupling of Charged Particles Via Coulombic Interactions: Numerical Simulations and Resultant Kappa-Like Velocity Space Distribution Functions

NASA Technical Reports Server (NTRS)

Randol, Brent M.; Christian, Eric R.

2016-01-01

A parametric study is performed using the electrostatic simulations of Randol and Christian (2014) in which the number density, n, and initial thermal speed, theta, are varied. The range of parameters covers an extremely broad plasma regime, all the way from the very weak coupling of space plasmas to the very strong coupling of solid plasmas. The first result is that simulations at the same Lambda(sub D), where Lambda(sub D) is the plasma coupling parameter, but at different combinations of n and theta, behave exactly the same. As a function of Lambda(sub D), the form of p(v), the velocity distribution function of v, the magnitude of v, the velocity vector, is studied. For intermediate to high D, heating is observed in p(v) that obeys conservation of energy, and a suprathermal tail is formed, with a spectral index that depends on Lambda(sub D). For strong coupling (Lambda(sub D) much > 1), the form of the tail is v5, consistent with the findings of Randol and Christian (2014). For weak coupling (Lambda(sub D much <1), no acceleration or heating occurs, as there is no free energy. The dependence on N, the number of particles in the simulation, is also explored. There is a subtle dependence in the index of the tail, such that v5 appears to be the N approaches infinity limit.

Coupling of charged particles via Coulombic interactions: Numerical simulations and resultant kappa-like velocity space distribution functions

NASA Astrophysics Data System (ADS)

Randol, Brent M.; Christian, Eric R.

2016-03-01

A parametric study is performed using the electrostatic simulations of Randol and Christian in which the number density, n, and initial thermal speed, θ, are varied. The range of parameters covers an extremely broad plasma regime, all the way from the very weak coupling of space plasmas to the very strong coupling of solid plasmas. The first result is that simulations at the same ΓD, where ΓD (∝ n1/3θ-2) is the plasma coupling parameter, but at different combinations of n and θ, behave exactly the same. As a function of ΓD, the form of p(v), the velocity distribution function of v, the magnitude of v, the velocity vector, is studied. For intermediate to high ΓD, heating is observed in p(v) that obeys conservation of energy, and a suprathermal tail is formed, with a spectral index that depends on ΓD. For strong coupling (ΓD≫1), the form of the tail is v-5, consistent with the findings of Randol and Christian). For weak coupling (ΓD≪1), no acceleration or heating occurs, as there is no free energy. The dependence on N, the number of particles in the simulation, is also explored. There is a subtle dependence in the index of the tail, such that v-5 appears to be the N→∞ limit.

Field validation of a free-agent cellular automata model of fire spread with fire–atmosphere coupling

Treesearch

Gary Achtemeier

2012-01-01

A cellular automata fire model represents ‘elements’ of fire by autonomous agents. A few simple algebraic expressions substituted for complex physical and meteorological processes and solved iteratively yield simulations for ‘super-diffusive’ fire spread and coupled surface-layer (2-m) fire–atmosphere processes. Pressure anomalies, which are integrals of the thermal...

Fast and Precise Emulation of Stochastic Biochemical Reaction Networks With Amplified Thermal Noise in Silicon Chips.

PubMed

Kim, Jaewook; Woo, Sung Sik; Sarpeshkar, Rahul

2018-04-01

The analysis and simulation of complex interacting biochemical reaction pathways in cells is important in all of systems biology and medicine. Yet, the dynamics of even a modest number of noisy or stochastic coupled biochemical reactions is extremely time consuming to simulate. In large part, this is because of the expensive cost of random number and Poisson process generation and the presence of stiff, coupled, nonlinear differential equations. Here, we demonstrate that we can amplify inherent thermal noise in chips to emulate randomness physically, thus alleviating these costs significantly. Concurrently, molecular flux in thermodynamic biochemical reactions maps to thermodynamic electronic current in a transistor such that stiff nonlinear biochemical differential equations are emulated exactly in compact, digitally programmable, highly parallel analog "cytomorphic" transistor circuits. For even small-scale systems involving just 80 stochastic reactions, our 0.35-μm BiCMOS chips yield a 311× speedup in the simulation time of Gillespie's stochastic algorithm over COPASI, a fast biochemical-reaction software simulator that is widely used in computational biology; they yield a 15 500× speedup over equivalent MATLAB stochastic simulations. The chip emulation results are consistent with these software simulations over a large range of signal-to-noise ratios. Most importantly, our physical emulation of Poisson chemical dynamics does not involve any inherently sequential processes and updates such that, unlike prior exact simulation approaches, they are parallelizable, asynchronous, and enable even more speedup for larger-size networks.

Fuego/Scefire MPMD Coupling L2 Milestone Executive Summary

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pierce, Flint; Tencer, John; Pautz, Shawn D.

2017-09-01

This milestone campaign was focused on coupling Sandia physics codes SIERRA low Mach module Fuego and RAMSES Boltzmann transport code Sceptre(Scefire). Fuego enables simulation of low Mach, turbulent, reacting, particle laden flows on unstructured meshes using CVFEM for abnormal thermal environments throughout SNL and the larger national security community. Sceptre provides simulation for photon, neutron, and charged particle transport on unstructured meshes using Discontinuous Galerkin for radiation effects calculations at SNL and elsewhere. Coupling these ”best of breed” codes enables efficient modeling of thermal/fluid environments with radiation transport, including fires (pool, propellant, composite) as well as those with directed radiantmore » fluxes. We seek to improve the experience of Fuego users who require radiation transport capabilities in two ways. The first is performance. We achieve this through leveraging additional computational resources for Scefire, reducing calculation times while leaving unaffected resources for fluid physics. This approach is new to Fuego, which previously utilized the same resources for both fluid and radiation solutions. The second improvement enables new radiation capabilities, including spectral (banded) radiation, beam boundary sources, and alternate radiation solvers (i.e. Pn). This summary provides an overview of these achievements.« less

Thermal Cycling and Isothermal Deformation Response of Polycrystalline NiTi: Simulations vs. Experiment

NASA Technical Reports Server (NTRS)

Manchiraju, Sivom; Gaydosh, Darrell; Benafan, Othmane; Noebe, Ronald; Vaidyanathan, Raj; Anderson, Peter M.

2011-01-01

A recent microstructure-based FEM model that couples crystal-based plasticity, the B2<-> MB190 phase transformation and anisotropic elasticity at the grain scale is calibrated to recent data for polycrystalline NiTi (49.9 at.% Ni). Inputs include anisotropic elastic properties, texture and differential scanning calorimetry data, as well as a subset of recent isothermal deformation and load-biased thermal cycling data. The model is assessed against additional experimental data. Several experimental trends are captured - in particular, the transformation strain during thermal cycling monotonically increases and reaches a peak with increasing bias stress. This is achieved, in part, by modifying the martensite hardening matrix proposed by Patoor et al. [Patoor E, Eberhardt A, Berveiller M. J Phys IV 1996;6:277]. Some experimental trends are underestimated - in particular, the ratcheting of macrostrain during thermal cycling. This may reflect a model limitation that transformation-plasticity coupling is captured on a coarse (grain) scale but not on a fine (martensitic plate) scale.

A Coupled Multiphysics Approach for Simulating Induced Seismicity, Ground Acceleration and Structural Damage

NASA Astrophysics Data System (ADS)

Podgorney, Robert; Coleman, Justin; Wilkins, Amdrew; Huang, Hai; Veeraraghavan, Swetha; Xia, Yidong; Permann, Cody

2017-04-01

Numerical modeling has played an important role in understanding the behavior of coupled subsurface thermal-hydro-mechanical (THM) processes associated with a number of energy and environmental applications since as early as the 1970s. While the ability to rigorously describe all key tightly coupled controlling physics still remains a challenge, there have been significant advances in recent decades. These advances are related primarily to the exponential growth of computational power, the development of more accurate equations of state, improvements in the ability to represent heterogeneity and reservoir geometry, and more robust nonlinear solution schemes. The work described in this paper documents the development and linkage of several fully-coupled and fully-implicit modeling tools. These tools simulate: (1) the dynamics of fluid flow, heat transport, and quasi-static rock mechanics; (2) seismic wave propagation from the sources of energy release through heterogeneous material; and (3) the soil-structural damage resulting from ground acceleration. These tools are developed in Idaho National Laboratory's parallel Multiphysics Object Oriented Simulation Environment, and are integrated together using a global implicit approach. The governing equations are presented, the numerical approach for simultaneously solving and coupling the three coupling physics tools is discussed, and the data input and output methodology is outlined. An example is presented to demonstrate the capabilities of the coupled multiphysics approach. The example involves simulating a system conceptually similar to the geothermal development in Basel Switzerland, and the resultant induced seismicity, ground motion and structural damage is predicted.

Enhancing the ABAQUS thermomechanics code to simulate multipellet steady and transient LWR fuel rod behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

R. L. Williamson

A powerful multidimensional fuels performance analysis capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth, gap heat transfer, and gap/plenum gas behavior during irradiation. This new capability is demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multipellet fuel rod, during both steady and transient operation. Comparisons are made between discrete andmore » smeared-pellet simulations. Computational results demonstrate the importance of a multidimensional, multipellet, fully-coupled thermomechanical approach. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermomechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths.« less

Engine management during NTRE start up

NASA Technical Reports Server (NTRS)

Bulman, Mel; Saltzman, Dave

1993-01-01

The topics are presented in viewgraph form and include the following: total engine system management critical to successful nuclear thermal rocket engine (NTRE) start up; NERVA type engine start windows; reactor power control; heterogeneous reactor cooling; propellant feed system dynamics; integrated NTRE start sequence; moderator cooling loop and efficient NTRE starting; analytical simulation and low risk engine development; accurate simulation through dynamic coupling of physical processes; and integrated NTRE and mission performance.

Simulation studies on the effect of positioning tolerances on optical coupling efficiency

NASA Astrophysics Data System (ADS)

Pamidighantam, Ramana V.; Yeo, Yongkee; Sudharsanam, Krishnamachari; Lee, Sik Pong; Iyer, Mahadevan K.

2002-08-01

The development of Optoelectronic components for communications is converging towards access networks where device cost makes a significant impact on the market acceptance. Thus, the device design engineer needs to input assembly, fabrication and process constraints into the design at an early stage. The present study is part of a Project on Packaging of Optical Components that IME, Singapore has initiated as part of an ongoing Electronics Packaging Research Consortium with industry partnership. In the present study, the coupling of optical radiation from a laser diode to optical fiber is simulated for a fiber optic transmitter component development project. Different optical configurations based on direct coupling, spherical ball lenses, integral lensed fibers and thermally expanded fibers are created within the commercially available transmitter package space. The effect of optical element variables on the placement tolerance is analyzed and will be reported. The effect of alignment tolerances on the optical coupling is analyzed. Simulation results are presented recommending realizable alignment and placement tolerances to develop a low cost short range link distance transmitter.

Optimization of Borehole Thermal Energy Storage System Design Using Comprehensive Coupled Simulation Models

NASA Astrophysics Data System (ADS)

Welsch, Bastian; Rühaak, Wolfram; Schulte, Daniel O.; Formhals, Julian; Bär, Kristian; Sass, Ingo

2017-04-01

Large-scale borehole thermal energy storage (BTES) is a promising technology in the development of sustainable, renewable and low-emission district heating concepts. Such systems consist of several components and assemblies like the borehole heat exchangers (BHE), other heat sources (e.g. solarthermics, combined heat and power plants, peak load boilers, heat pumps), distribution networks and heating installations. The complexity of these systems necessitates numerical simulations in the design and planning phase. Generally, the subsurface components are simulated separately from the above ground components of the district heating system. However, as fluid and heat are exchanged, the subsystems interact with each other and thereby mutually affect their performances. For a proper design of the overall system, it is therefore imperative to take into account the interdependencies of the subsystems. Based on a TCP/IP communication we have developed an interface for the coupling of a simulation package for heating installations with a finite element software for the modeling of the heat flow in the subsurface and the underground installations. This allows for a co-simulation of all system components, whereby the interaction of the different subsystems is considered. Furthermore, the concept allows for a mathematical optimization of the components and the operational parameters. Consequently, a finer adjustment of the system can be ensured and a more precise prognosis of the system's performance can be realized.

The calibration of a model for simulating the thermal and electrical performance of a 2.8 kW AC solid-oxide fuel cell micro-cogeneration device

NASA Astrophysics Data System (ADS)

Beausoleil-Morrison, Ian; Lombardi, Kathleen

The concurrent production of heat and electricity within residential buildings using solid-oxide fuel cell (SOFC) micro-cogeneration devices has the potential to reduce primary energy consumption, greenhouse gas emissions, and air pollutants. A realistic assessment of this emerging technology requires the accurate simulation of the thermal and electrical production of SOFC micro-cogeneration devices concurrent with the simulation of the building, its occupants, and coupled plant components. The calibration of such a model using empirical data gathered from experiments conducted with a 2.8 kW AC SOFC micro-cogeneration device is demonstrated. The experimental configuration, types of instrumentation employed, and the operating scenarios examined are treated. The propagation of measurement uncertainty into the derived quantities that are necessary for model calibration are demonstrated by focusing upon the SOFC micro-cogeneration system's gas-to-water heat exchanger. The calibration coefficients necessary to accurately simulate the thermal and electrical performance of this prototype device are presented and the types of analyses enabled to study the potential of the technology are demonstrated.

Parametric estimate of the relative photon yields from the glasma and the quark-gluon plasma in heavy-ion collisions

DOE PAGES

Berges, Jürgen; Reygers, Klaus; Tanji, Naoto; ...

2017-05-09

Recent classical-statistical numerical simulations have established the “bottom-up” thermalization scenario of Baier et al. [Phys. Lett. B 502, 51 (2001)] as the correct weak coupling effective theory for thermalization in ultrarelativistic heavy-ion collisions. In this paper, we perform a parametric study of photon production in the various stages of this bottom-up framework to ascertain the relative contribution of the off-equilibrium “glasma” relative to that of a thermalized quark-gluon plasma. Taking into account the constraints imposed by the measured charged hadron multiplicities at Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC), we find that glasma contributions are importantmore » especially for large values of the saturation scale at both energies. Finally, these nonequilibrium effects should therefore be taken into account in studies where weak coupling methods are employed to compute photon yields.« less

Parameter Sweep and Optimization of Loosely Coupled Simulations Using the DAKOTA Toolkit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elwasif, Wael R; Bernholdt, David E; Pannala, Sreekanth

2012-01-01

The increasing availability of large scale computing capabilities has accelerated the development of high-fidelity coupled simulations. Such simulations typically involve the integration of models that implement various aspects of the complex phenomena under investigation. Coupled simulations are playing an integral role in fields such as climate modeling, earth systems modeling, rocket simulations, computational chemistry, fusion research, and many other computational fields. Model coupling provides scientists with systematic ways to virtually explore the physical, mathematical, and computational aspects of the problem. Such exploration is rarely done using a single execution of a simulation, but rather by aggregating the results from manymore » simulation runs that, together, serve to bring to light novel knowledge about the system under investigation. Furthermore, it is often the case (particularly in engineering disciplines) that the study of the underlying system takes the form of an optimization regime, where the control parameter space is explored to optimize an objective functions that captures system realizability, cost, performance, or a combination thereof. Novel and flexible frameworks that facilitate the integration of the disparate models into a holistic simulation are used to perform this research, while making efficient use of the available computational resources. In this paper, we describe the integration of the DAKOTA optimization and parameter sweep toolkit with the Integrated Plasma Simulator (IPS), a component-based framework for loosely coupled simulations. The integration allows DAKOTA to exploit the internal task and resource management of the IPS to dynamically instantiate simulation instances within a single IPS instance, allowing for greater control over the trade-off between efficiency of resource utilization and time to completion. We present a case study showing the use of the combined DAKOTA-IPS system to aid in the design of a lithium ion battery (LIB) cell, by studying a coupled system involving the electrochemistry and ion transport at the lower length scales and thermal energy transport at the device scales. The DAKOTA-IPS system provides a flexible tool for use in optimization and parameter sweep studies involving loosely coupled simulations that is suitable for use in situations where changes to the constituent components in the coupled simulation are impractical due to intellectual property or code heritage issues.« less

Interpretation of Simultaneous Mechanical-Electrical-Thermal Failure in a Lithium-Ion Battery Module: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Chao; Santhanagopalan, Shriram; Stock, Mark J.

Lithium-ion batteries are currently the state-of- the-art power sources for electric vehicles, and their safety behavior when subjected to abuse, such as a mechanical impact, is of critical concern. A coupled mechanical-electrical-thermal model for simulating the behavior of a lithium-ion battery under a mechanical crush has been developed. We present a series of production-quality visualizations to illustrate the complex mechanical and electrical interactions in this model.

NREL Multiphysics Modeling Tools and ISC Device for Designing Safer Li-Ion Batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pesaran, Ahmad A.; Yang, Chuanbo

2016-03-24

The National Renewable Energy Laboratory has developed a portfolio of multiphysics modeling tools to aid battery designers better understand the response of lithium ion batteries to abusive conditions. We will discuss this portfolio, which includes coupled electrical, thermal, chemical, electrochemical, and mechanical modeling. These models can simulate the response of a cell to overheating, overcharge, mechanical deformation, nail penetration, and internal short circuit. Cell-to-cell thermal propagation modeling will be discussed.

Evaluating permafrost thaw vulnerabilities and hydrologic impacts in boreal Alaska (USA) watersheds using field data and cryohydrogeologic modeling

NASA Astrophysics Data System (ADS)

Walvoord, M. A.; Voss, C.; Ebel, B. A.; Minsley, B. J.

2017-12-01

Permafrost environments undergo changes in hydraulic, thermal, chemical, and mechanical subsurface properties upon thaw. These property changes must be considered in addition to alterations in hydrologic, thermal, and topographic boundary conditions when evaluating shifts in the movement and storage of water in arctic and sub-arctic boreal regions. Advances have been made in the last several years with respect to multiscale geophysical characterization of the subsurface and coupled fluid and energy transport modeling of permafrost systems. Ongoing efforts are presented that integrate field data with cryohydrogeologic modeling to better understand and anticipate changes in subsurface water resources, fluxes, and flowpaths caused by climate warming and permafrost thawing. Analyses are based on field data from several sites in interior Alaska (USA) that span a broad north-south transition from continuous to discontinuous permafrost. These data include soil hydraulic and thermal properties and shallow permafrost distribution. The data guide coupled fluid and energy flow simulations that incorporate porewater liquid/ice phase change and the accompanying modifications in hydraulic and thermal subsurface properties. Simulations are designed to assess conditions conducive to active layer thickening and talik development, both of which are expected to affect groundwater storage and flow. Model results provide a framework for identifying factors that control the rates of permafrost thaw and associated hydrologic responses, which in turn influence the fate and transport of carbon.

Multidimensional Tests of Thermal Protection Materials in the Arcjet Test Facility

NASA Technical Reports Server (NTRS)

Agrawal, Parul; Ellerby, Donald T.; Switzer, Mathew R.; Squire, Thomas H.

2010-01-01

Many thermal protection system materials used for spacecraft heatshields have anisotropic thermal properties, causing them to display significantly different thermal characteristics in different directions, when subjected to a heating environment during flight or arcjet tests. This paper investigates the effects of sidewall heating coupled with anisotropic thermal properties of thermal protection materials in the arcjet environment. Phenolic Impregnated Carbon Ablator (PICA) and LI-2200 materials (the insulation material of Shuttle tiles) were used for this study. First, conduction-based thermal response simulations were carried out, using the Marc.Mentat finite element solver, to study the effects of sidewall heating on PICA arcjet coupons. The simulation showed that sidewall heating plays a significant role in thermal response of these models. Arcjet tests at the Aerodynamic Heating Facility (AHF) at NASA Ames Research Center were performed later on instrumented coupons to obtain temperature history at sidewall and various radial locations. The details of instrumentation and experimental technique are the prime focus of this paper. The results obtained from testing confirmed that sidewall heating plays a significant role in thermal response of these models. The test results were later used to verify the two-dimensional ablation, thermal response, and sizing program, TITAN. The test data and model predictions were found to be in excellent agreement

Mountain-Scale Coupled Processes (TH/THC/THM)

DOE Office of Scientific and Technical Information (OSTI.GOV)

P. Dixon

The purpose of this Model Report is to document the development of the Mountain-Scale Thermal-Hydrological (TH), Thermal-Hydrological-Chemical (THC), and Thermal-Hydrological-Mechanical (THM) Models and evaluate the effects of coupled TH/THC/THM processes on mountain-scale UZ flow at Yucca Mountain, Nevada. This Model Report was planned in ''Technical Work Plan (TWP) for: Performance Assessment Unsaturated Zone'' (BSC 2002 [160819], Section 1.12.7), and was developed in accordance with AP-SIII.10Q, Models. In this Model Report, any reference to ''repository'' means the nuclear waste repository at Yucca Mountain, and any reference to ''drifts'' means the emplacement drifts at the repository horizon. This Model Report provides themore » necessary framework to test conceptual hypotheses for analyzing mountain-scale hydrological/chemical/mechanical changes and predict flow behavior in response to heat release by radioactive decay from the nuclear waste repository at the Yucca Mountain site. The mountain-scale coupled TH/THC/THM processes models numerically simulate the impact of nuclear waste heat release on the natural hydrogeological system, including a representation of heat-driven processes occurring in the far field. The TH simulations provide predictions for thermally affected liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature (together called the flow fields). The main focus of the TH Model is to predict the changes in water flux driven by evaporation/condensation processes, and drainage between drifts. The TH Model captures mountain-scale three dimensional (3-D) flow effects, including lateral diversion at the PTn/TSw interface and mountain-scale flow patterns. The Mountain-Scale THC Model evaluates TH effects on water and gas chemistry, mineral dissolution/precipitation, and the resulting impact to UZ hydrological properties, flow and transport. The THM Model addresses changes in permeability due to mechanical and thermal disturbances in stratigraphic units above and below the repository host rock. The Mountain-Scale THM Model focuses on evaluating the changes in 3-D UZ flow fields arising out of thermal stress and rock deformation during and after the thermal periods.« less

The Effect of Basis Selection on Thermal-Acoustic Random Response Prediction Using Nonlinear Modal Simulation

NASA Technical Reports Server (NTRS)

Rizzi, Stephen A.; Przekop, Adam

2004-01-01

The goal of this investigation is to further develop nonlinear modal numerical simulation methods for prediction of geometrically nonlinear response due to combined thermal-acoustic loadings. As with any such method, the accuracy of the solution is dictated by the selection of the modal basis, through which the nonlinear modal stiffness is determined. In this study, a suite of available bases are considered including (i) bending modes only; (ii) coupled bending and companion modes; (iii) uncoupled bending and companion modes; and (iv) bending and membrane modes. Comparison of these solutions with numerical simulation in physical degrees-of-freedom indicates that inclusion of any membrane mode variants (ii - iv) in the basis affects the bending displacement and stress response predictions. The most significant effect is on the membrane displacement, where it is shown that only the type (iv) basis accurately predicts its behavior. Results are presented for beam and plate structures in the thermally pre-buckled regime.

A simplified DEM-CFD approach for pebble bed reactor simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Y.; Ji, W.

In pebble bed reactors (PBR's), the pebble flow and the coolant flow are coupled with each other through coolant-pebble interactions. Approaches with different fidelities have been proposed to simulate similar phenomena. Coupled Discrete Element Method-Computational Fluid Dynamics (DEM-CFD) approaches are widely studied and applied in these problems due to its good balance between efficiency and accuracy. In this work, based on the symmetry of the PBR geometry, a simplified 3D-DEM/2D-CFD approach is proposed to speed up the DEM-CFD simulation without significant loss of accuracy. Pebble flow is simulated by a full 3-D DEM, while the coolant flow field is calculatedmore » with a 2-D CFD simulation by averaging variables along the annular direction in the cylindrical geometry. Results show that this simplification can greatly enhance the efficiency for cylindrical core, which enables further inclusion of other physics such as thermal and neutronic effect in the multi-physics simulations for PBR's. (authors)« less

Interface-facilitated energy transport in coupled Frenkel-Kontorova chains

NASA Astrophysics Data System (ADS)

Su, Rui-Xia; Yuan, Zong-Qiang; Wang, Jun; Zheng, Zhi-Gang

2016-04-01

The role of interface couplings on the energy transport of two coupled Frenkel-Kontorova (FK) chains is explored through numerical simulations. In general, it is expected that the interface couplings result in the suppression of heat conduction through the coupled system due to the additional interface phonon-phonon scattering. In the present paper, it is found that the thermal conductivity increases with increasing intensity of interface interactions for weak inter-chain couplings, whereas the heat conduction is suppressed by the interface interaction in the case of strong inter-chain couplings. Based on the phonon spectral energy density method, we demonstrate that the enhancement of energy transport results from the excited phonon modes (in addition to the intrinsic phonon modes), while the strong interface phonon-phonon scattering results in the suppressed energy transport.

Off-equilibrium sphaleron transitions in the Glasma

DOE PAGES

Mace, Mark; Schlichting, Soren; Venugopalan, Raju

2016-04-28

We perform the first, to our knowledge, classical-statistical real time lattice simulations of topological transitions in the nonequilibrium glasma of weakly coupled but highly occupied gauge fields created immediately after the collision of ultrarelativistic nuclei. Simplifying our description by employing SU(2) gauge fields, and neglecting their longitudinal expansion, we find that the rate of topological transitions is initially strongly enhanced relative to the thermal sphaleron transition rate and decays with time during the thermalization process. Qualitative features of the time dependence of this nonequilibrium transition rate can be understood when expressed in terms of the magnetic screening length, which wemore » also extract nonperturbatively. Furthermore, a detailed investigation of auto-correlation functions of the Chern-Simons number (N CS) reveals non-Markovian features of the evolution distinct from previous simulations of non-Abelian plasmas in thermal equilibrium.« less

The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Saikat; Bansal, Dipanshu; Delaire, Olivier; Perrodin, Didier; Bourret-Courchesne, Edith; Singh, David J.; Lindsay, Lucas

2017-09-01

Strongly anharmonic phonon properties of CuCl are investigated with inelastic neutron-scattering measurements and first-principles simulations. An unusual quasiparticle spectral peak emerges in the phonon density of states with increasing temperature, in both simulations and measurements, emanating from exceptionally strong coupling between conventional phonon modes. Associated with this strong anharmonicity, the lattice thermal conductivity of CuCl is extremely low and exhibits anomalous, nonmonotonic pressure dependence. We show how this behavior arises from the structure of the phonon dispersions augmenting the phase space available for anharmonic three-phonon scattering processes, and contrast this mechanism with common arguments based on negative Grüneisen parameters. These results demonstrate the importance of considering intrinsic phonon-dispersion structure toward understanding scattering processes and designing new ultralow thermal conductivity materials.

Determination of Vertical Borehole and Geological Formation Properties using the Crossed Contour Method.

PubMed

Leyde, Brian P; Klein, Sanford A; Nellis, Gregory F; Skye, Harrison

2017-03-01

This paper presents a new method called the Crossed Contour Method for determining the effective properties (borehole radius and ground thermal conductivity) of a vertical ground-coupled heat exchanger. The borehole radius is used as a proxy for the overall borehole thermal resistance. The method has been applied to both simulated and experimental borehole Thermal Response Test (TRT) data using the Duct Storage vertical ground heat exchanger model implemented in the TRansient SYstems Simulation software (TRNSYS). The Crossed Contour Method generates a parametric grid of simulated TRT data for different combinations of borehole radius and ground thermal conductivity in a series of time windows. The error between the average of the simulated and experimental bore field inlet and outlet temperatures is calculated for each set of borehole properties within each time window. Using these data, contours of the minimum error are constructed in the parameter space of borehole radius and ground thermal conductivity. When all of the minimum error contours for each time window are superimposed, the point where the contours cross (intersect) identifies the effective borehole properties for the model that most closely represents the experimental data in every time window and thus over the entire length of the experimental data set. The computed borehole properties are compared with results from existing model inversion methods including the Ground Property Measurement (GPM) software developed by Oak Ridge National Laboratory, and the Line Source Model.

Safe Affordable Fission Engine-(SAFE-) 100a Heat Exchanger Thermal and Structural Analysis

NASA Technical Reports Server (NTRS)

Steeve, B. E.

2005-01-01

A potential fission power system for in-space missions is a heat pipe-cooled reactor coupled to a Brayton cycle. In this system, a heat exchanger (HX) transfers the heat of the reactor core to the Brayton gas. The Safe Affordable Fission Engine- (SAFE-) 100a is a test program designed to thermally and hydraulically simulate a 95 Btu/s prototypic heat pipe-cooled reactor using electrical resistance heaters on the ground. This Technical Memorandum documents the thermal and structural assessment of the HX used in the SAFE-100a program.

Phonon modes and thermal conductance in carbon nanotubes

NASA Astrophysics Data System (ADS)

Tomanek, David

2001-03-01

The unique electronic transport behavior of quasi-1D carbon nanotubes(Stefano Sanvito, Young-Kyun Kwon, David Tomanek, and Colin J. Lambert, Phys. Rev. Lett. 84), 1974 (2000). finds an unexpected counterpart in their unusually high thermal conductance.(Savas Berber, Young-Kyun Kwon, and David Tomanek, Phys. Rev. Lett. 84), 4613 (2000). The latter is a consequence of the structural rigidity of nanotubes, resulting in a large sound velocity, and their phonon structure. Soft phonon modes, primarily associated with tube bending and twisting, are essentially decoupled from the energy-carrying hard phonon modes which originate in the stretching and bending of interatomic bonds. The absence of an efficient coupling mechanism between these different phonon modes is responsible for their low damping and a long phonon mean free path. With a peak value λ=37,000W/m/K at 100K, the thermal conductance of an isolated (10,10) nanotube, predicted using non-equilibrium molecular dynamics simulations, is comparable to that of isotopically pure diamond. At room temperature, the predicted value λ=6,600W/m/K even exceeds that of this best thermal conductor. Unlike bulk graphite, where coupling between the flexible layers reduces the basal plane thermal conductance by one order of magnitude, we find that the inter-tube coupling in nanotube ropes does not reduce the single-tube conductance significantly.

Thermal coupling and effect of subharmonic synchronization in a system of two VO2 based oscillators

NASA Astrophysics Data System (ADS)

Velichko, Andrey; Belyaev, Maksim; Putrolaynen, Vadim; Perminov, Valentin; Pergament, Alexander

2018-03-01

We explore a prototype of an oscillatory neural network (ONN) based on vanadium dioxide switching devices. The model system under study represents two oscillators based on thermally coupled VO2 switches. Numerical simulation shows that the effective action radius RTC of coupling depends both on the total energy released during switching and on the average power. It is experimentally and numerically proved that the temperature change ΔT commences almost synchronously with the released power peak and T-coupling reveals itself up to a frequency of about 10 kHz. For the studied switching structure configuration, the RTC value varies over a wide range from 4 to 45 μm, depending on the external circuit capacitance C and resistance Ri, but the variation of Ri is more promising from the practical viewpoint. In the case of a "weak" coupling, synchronization is accompanied by attraction effect and decrease of the main spectra harmonics width. In the case of a "strong" coupling, the number of effects increases, synchronization can occur on subharmonics resulting in multilevel stable synchronization of two oscillators. An advanced algorithm for synchronization efficiency and subharmonic ratio calculation is proposed. It is shown that of the two oscillators the leading one is that with a higher main frequency, and, in addition, the frequency stabilization effect is observed. Also, in the case of a strong thermal coupling, the limit of the supply current parameters, for which the oscillations exist, expands by ∼10%. The obtained results have a universal character and open up a new kind of coupling in ONNs, namely, T-coupling, which allows for easy transition from 2D to 3D integration. The effect of subharmonic synchronization hold promise for application in classification and pattern recognition.

VERA and VERA-EDU 3.5 Release Notes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sieger, Matt; Salko, Robert K.; Kochunas, Brendan M.

The Virtual Environment for Reactor Applications components included in this distribution include selected computational tools and supporting infrastructure that solve neutronics, thermal-hydraulics, fuel performance, and coupled neutronics-thermal hydraulics problems. The infrastructure components provide a simplified common user input capability and provide for the physics integration with data transfer and coupled-physics iterative solution algorithms. Neutronics analysis can be performed for 2D lattices, 2D core and 3D core problems for pressurized water reactor geometries that can be used to calculate criticality and fission rate distributions by pin for input fuel compositions. MPACT uses the Method of Characteristics transport approach for 2D problems.more » For 3D problems, MPACT uses the 2D/1D method which uses 2D MOC in a radial plane and diffusion or SPn in the axial direction. MPACT includes integrated cross section capabilities that provide problem-specific cross sections generated using the subgroup methodology. The code can be executed both 2D and 3D problems in parallel to reduce overall run time. A thermal-hydraulics capability is provided with CTF (an updated version of COBRA-TF) that allows thermal-hydraulics analyses for single and multiple assemblies using the simplified VERA common input. This distribution also includes coupled neutronics/thermal-hydraulics capabilities to allow calculations using MPACT coupled with CTF. The VERA fuel rod performance component BISON calculates, on a 2D or 3D basis, fuel rod temperature, fuel rod internal pressure, free gas volume, clad integrity and fuel rod waterside diameter. These capabilities allow simulation of power cycling, fuel conditioning and deconditioning, high burnup performance, power uprate scoping studies, and accident performance. Input/Output capabilities include the VERA Common Input (VERAIn) script which converts the ASCII common input file to the intermediate XML used to drive all of the physics codes in the VERA Core Simulator (VERA-CS). VERA component codes either input the VERA XML format directly, or provide a preprocessor which can convert the XML into native input. VERAView is an interactive graphical interface for the visualization and engineering analyses of output data from VERA. The python-based software is easy to install and intuitive to use, and provides instantaneous 2D and 3D images, 1D plots, and alpha-numeric data from VERA multi-physics simulations. Testing within CASL has focused primarily on Westinghouse four-loop reactor geometries and conditions with example problems included in the distribution.« less

Copper Tube Compression in Z-Current Geometry, Numerical Simulations and Comparison with Cyclope Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lefrancois, A.; L'Eplattenier, P.; Burger, M.

2006-02-13

Metallic tubes compressions in Z-current geometry were performed at the Cyclope facility from Gramat Research Center in order to study the behavior of metals under large strain at high strain rate. 3D configurations of cylinder compressions have been calculated here to benchmark the new beta version of the electromagnetism package coupled with the dynamics in Ls-Dyna and compared with the Cyclope experiments. The electromagnetism module is being developed in the general-purpose explicit and implicit finite element program LS-DYNA{reg_sign} in order to perform coupled mechanical/thermal/electromagnetism simulations. The Maxwell equations are solved using a Finite Element Method (FEM) for the solid conductorsmore » coupled with a Boundary Element Method (BEM) for the surrounding air (or vacuum). More details can be read in the references.« less

Modeling of a thermal energy storage system based on coupled metal hydrides (magnesium iron – sodium alanate) for concentrating solar power plants

DOE PAGES

d'Entremont, A.; Corgnale, C.; Sulic, M.; ...

2017-08-31

Concentrating solar power plants represent low cost and efficient solutions for renewable electricity production only if adequate thermal energy storage systems are included. Metal hydride thermal energy storage systems have demonstrated the potential to achieve very high volumetric energy densities, high exergetic efficiencies, and low costs. The current work analyzes the technical feasibility and the performance of a storage system based on the high temperature Mg 2FeH 6 hydride coupled with the low temperature Na 3AlH 6 hydride. To accomplish this, a detailed transport model has been set up and the coupled metal hydride system has been simulated based onmore » a laboratory scale experimental configuration. Proper kinetics expressions have been developed and included in the model to replicate the absorption and desorption process in the high temperature and low temperature hydride materials. The system showed adequate hydrogen transfer between the two metal hydrides, with almost complete charging and discharging, during both thermal energy storage and thermal energy release. The system operating temperatures varied from 450°C to 500°C, with hydrogen pressures between 30 bar and 70 bar. This makes the thermal energy storage system a suitable candidate for pairing with a solar driven steam power plant. The model results, obtained for the selected experimental configuration, showed an actual thermal energy storage system volumetric energy density of about 132 kWh/m 3, which is more than 5 times the U.S. Department of Energy SunShot target (25 kWh/m 3).« less

Modeling of a thermal energy storage system based on coupled metal hydrides (magnesium iron – sodium alanate) for concentrating solar power plants

DOE Office of Scientific and Technical Information (OSTI.GOV)

d'Entremont, A.; Corgnale, C.; Sulic, M.

Concentrating solar power plants represent low cost and efficient solutions for renewable electricity production only if adequate thermal energy storage systems are included. Metal hydride thermal energy storage systems have demonstrated the potential to achieve very high volumetric energy densities, high exergetic efficiencies, and low costs. The current work analyzes the technical feasibility and the performance of a storage system based on the high temperature Mg 2FeH 6 hydride coupled with the low temperature Na 3AlH 6 hydride. To accomplish this, a detailed transport model has been set up and the coupled metal hydride system has been simulated based onmore » a laboratory scale experimental configuration. Proper kinetics expressions have been developed and included in the model to replicate the absorption and desorption process in the high temperature and low temperature hydride materials. The system showed adequate hydrogen transfer between the two metal hydrides, with almost complete charging and discharging, during both thermal energy storage and thermal energy release. The system operating temperatures varied from 450°C to 500°C, with hydrogen pressures between 30 bar and 70 bar. This makes the thermal energy storage system a suitable candidate for pairing with a solar driven steam power plant. The model results, obtained for the selected experimental configuration, showed an actual thermal energy storage system volumetric energy density of about 132 kWh/m 3, which is more than 5 times the U.S. Department of Energy SunShot target (25 kWh/m 3).« less

Numerical simulation of thermal disposition with induction heating used for oncological hyperthermic treatment.

PubMed

Dughiero, F; Corazza, S

2005-01-01

Hyperthermia plays an important role in oncological therapies, most often being used in combination with radiotherapy, chemotherapy and immunotherapy. The success of this therapy is strongly dependent on the precision and control of thermal deposition. Hyperthermia based on induction heating, with thermally self-regulating thermoseeds inserted into the tumorous mass, is used for interstitial treatment. The technique was the subject of the numerical study presented in the paper. The analysis was carried out using coupled electromagnetic heating and thermo-fluid dynamic FEM simulations. During thermal deposition by induction heating of inserted seeds, the simulations estimated the thermal field inside and outside the tumour, as well as the sensitivity of the thermal field to variations regarding seed temperature, configuration and proximity to vessels. The method, for which accurate anatomical patient's information is essential, is suitable for providing useful qualitative and quantitative information about thermal transients and power density distribution for hyperthermic treatment. Several grid steps were analysed and compared. A 1 cm seed grid was resulted in good homogeneity and effectiveness of the thermal deposition. The cold spot effect caused by large vessels was demonstrated and quantified. Simulations of the heating of a tumorous mass in the liver showed that an indcutor generator operating at 200 kHz frequency and 500 A current, producing a pulsating magnetic field of H = 60 A cm(-1), was adequate for the treatment. The seeds that perform best among those tested (Nicu (28% Cu), PdNi (27.2% Ni), PdCo (6.15% Co) and ferrite core) were the PdNi (1 mm radius, 10 mm length), as they have a low Curie temperature (52 degrees C), which is the closest to the desired treatment temperature and thus reduces the risk of hot spots.

Coupled neutronics and thermal-hydraulics numerical simulations of a Molten Fast Salt Reactor (MFSR)

NASA Astrophysics Data System (ADS)

Laureau, A.; Rubiolo, P. R.; Heuer, D.; Merle-Lucotte, E.; Brovchenko, M.

2014-06-01

Coupled neutronics and thermalhydraulic numerical analyses of a molten salt fast reactor are presented. These preliminary numerical simulations are carried-out using the Monte Carlo code MCNP and the Computation Fluid Dynamic code OpenFOAM. The main objectives of this analysis performed at steady-reactor conditions are to confirm the acceptability of the current neutronic and thermalhydraulic designs of the reactor, to study the effects of the reactor operating conditions on some of the key MSFR design parameters such as the temperature peaking factor. The effects of the precursor's motion on the reactor safety parameters such as the effective fraction of delayed neutrons have been evaluated.

The first-principle coupled calculations using TMCC and CFX for the pin-wise simulation of LWR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, L.; Wang, K.

2012-07-01

The coupling of neutronics and thermal-hydraulics plays an important role in the reactor safety, core design and operation of nuclear power facilities. This paper introduces the research on the coupling of Monte Carlo method and CFD method, specifically using TMCC and CFX. The methods of the coupling including the coupling approach, data transfer, mesh mapping and transient coupling scheme are studied firstly. The coupling of TMCC and CFX for the steady state calculations is studied and described for the single rod model and the 3 x 3 Rod Bundle model. The calculation results prove that the coupling method is feasiblemore » and the coupled calculation can be used for steady state calculations. However, the oscillation which occurs during the coupled calculation indicates that this method still needs to be improved for the accuracy. Then the coupling for the transient calculations is also studied and tested by two cases of the steady state and the lost of heat sink. The preliminary results of the transient coupled calculations indicates that the transient coupling with TMCC and CFX is able to simulate the transients but instabilities are occurring. It is also concluded that the transient coupling of TMCC and CFX needs to be improved due to the limitation of computational resource and the difference of time scales. (authors)« less

Shock initiated thermal and chemical responses of HMX crystal from ReaxFF molecular dynamics simulation.

PubMed

Zhou, Tingting; Song, Huajie; Liu, Yi; Huang, Fenglei

2014-07-21

To gain an atomistic-level understanding of the thermal and chemical responses of condensed energetic materials under thermal shock, we developed a thermal shock reactive dynamics (TS-RD) computational protocol using molecular dynamics simulation coupled with ReaxFF force field. β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) was selected as a a target explosive due to its wide usage in the military and industry. The results show that a thermal shock initiated by a large temperature gradient between the "hot" region and the "cold" region results in thermal expansion of the particles and induces a thermal-mechanical wave propagating back and forth in the system with an averaged velocity of 3.32 km s(-1). Heat propagating along the direction of thermal shock leads to a temperature increment of the system and thus chemical reaction initiation. Applying a continuum reactive heat conduction model combined with the temperature distribution obtained from the RD simulation, a heat conduction coefficient is derived as 0.80 W m(-1) K(-1). The chemical reaction mechanisms during thermal shock were analyzed, showing that the reaction is triggered by N-NO2 bond breaking followed by HONO elimination and ring fission. The propagation rates of the reaction front and reaction center are obtained to be 0.069 and 0.038 km s(-1), based on the time and spatial distribution of NO2. The pressure effect on the thermal shock was also investigated by employing uniaxial compression before the thermal shock. We find that compression significantly accelerates thermal-mechanical wave propagation and heat conduction, resulting in higher temperature and more excited molecules and thus earlier initiation and faster propagation of chemical reactions.

Development of a Coupled Framework for Simulating Interactive Effects of Frozen Soil Hydrological Dynamics in Permafrost Regions

DTIC Science & Technology

2013-11-01

Permafrost Input Database Geology, Lithologic Data, Snow Cover, Air Temperature, Ground Temperatures, Vegetation Precipitation Soil Properties GIPL...be found in Nicolsky et al. (2007). Required input data include climate data, snow cover, soil thermal properties, lithological data, and vegetative

Realistic dust and water cycles in the MarsWRF GCM using coupled two-moment microphysics

NASA Astrophysics Data System (ADS)

Lee, Christopher; Richardson, Mark Ian; Mischna, Michael A.; Newman, Claire E.

2017-10-01

Dust and water ice aerosols significantly complicate the Martian climate system because the evolution of the two aerosol fields is coupled through microphysics and because both aerosols strongly interact with visible and thermal radiation. The combination of strong forcing feedback and coupling has led to various problems in understanding and modeling of the Martian climate: in reconciling cloud abundances at different locations in the atmosphere, in generating a stable dust cycle, and in preventing numerical instability within models.Using a new microphysics model inside the MarsWRF GCM we show that fully coupled simulations produce more realistic simulation of the Martian climate system compared to a dry, dust only simulations. In the coupled simulations, interannual variability and intra-annual variability are increased, strong 'solstitial pause' features are produced in both winter high latitude regions, and dust storm seasons are more varied, with early southern summer (Ls 180) dust storms and/or more than one storm occurring in some seasons.A new microphysics scheme was developed as a part of this work and has been included in the MarsWRF model. The scheme uses split spectral/spatial size distribution numerics with adaptive bin sizes to track particle size evolution. Significantly, this scheme is highly accurate, numerically stable, and is capable of running with time steps commensurate with those of the parent atmospheric model.

Comparisons of Mixed-Phase Icing Cloud Simulations with Experiments Conducted at the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Bartkus, Tadas; Tsao, Jen-Ching; Struk, Peter

2017-01-01

This paper builds on previous work that compares numerical simulations of mixed-phase icing clouds with experimental data. The model couples the thermal interaction between ice particles and water droplets of the icing cloud with the flowing air of an icing wind tunnel for simulation of NASA Glenn Research Centers (GRC) Propulsion Systems Laboratory (PSL). Measurements were taken during the Fundamentals of Ice Crystal Icing Physics Tests at the PSL tunnel in March 2016. The tests simulated ice-crystal and mixed-phase icing that relate to ice accretions within turbofan engines.

BASIMO - Borehole Heat Exchanger Array Simulation and Optimization Tool

NASA Astrophysics Data System (ADS)

Schulte, Daniel O.; Bastian, Welsch; Wolfram, Rühaak; Kristian, Bär; Ingo, Sass

2017-04-01

Arrays of borehole heat exchangers are an increasingly popular source for renewable energy. Furthermore, they can serve as borehole thermal energy storage (BTES) systems for seasonally fluctuating heat sources like solar thermal energy or district heating grids. The high temperature level of these heat sources prohibits the use of the shallow subsurface for environmental reasons. Therefore, deeper reservoirs have to be accessed instead. The increased depth of the systems results in high investment costs and has hindered the implementation of this technology until now. Therefore, research of medium deep BTES systems relies on numerical simulation models. Current simulation tools cannot - or only to some extent - describe key features like partly insulated boreholes unless they run fully discretized models of the borehole heat exchangers. However, fully discretized models often come at a high computational cost, especially for large arrays of borehole heat exchangers. We give an update on the development of BASIMO: a tool, which uses one dimensional thermal resistance and capacity models for the borehole heat exchangers coupled with a numerical finite element model for the subsurface heat transport in a dual-continuum approach. An unstructured tetrahedral mesh bypasses the limitations of structured grids for borehole path geometries, while the thermal resistance and capacity model is improved to account for borehole heat exchanger properties changing with depth. Thereby, partly insulated boreholes can be considered in the model. Furthermore, BASIMO can be used to improve the design of BTES systems: the tool allows for automated parameter variations and is readily coupled to other code like mathematical optimization algorithms. Optimization can be used to determine the required minimum system size or to increase the system performance.

Simulation of high temperature thermal energy storage system based on coupled metal hydrides for solar driven steam power plants

DOE PAGES

d'Entremont, Anna; Corgnale, Claudio; Hardy, Bruce; ...

2018-01-11

Concentrating solar power plants can achieve low cost and efficient renewable electricity production if equipped with adequate thermal energy storage systems. Metal hydride based thermal energy storage systems are appealing candidates due to their demonstrated potential for very high volumetric energy densities, high exergetic efficiencies, and low costs. The feasibility and performance of a thermal energy storage system based on NaMgH 2F hydride paired with TiCr 1.6Mn 0.2 is examined, discussing its integration with a solar-driven ultra-supercritical steam power plant. The simulated storage system is based on a laboratory-scale experimental apparatus. It is analyzed using a detailed transport model accountingmore » for the thermochemical hydrogen absorption and desorption reactions, including kinetics expressions adequate for the current metal hydride system. The results show that the proposed metal hydride pair can suitably be integrated with a high temperature steam power plant. The thermal energy storage system achieves output energy densities of 226 kWh/m 3, 9 times the DOE SunShot target, with moderate temperature and pressure swings. Also, simulations indicate that there is significant scope for performance improvement via heat-transfer enhancement strategies.« less

On the transport coefficients of hydrogen in the inertial confinement fusion regime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lambert, Flavien; Recoules, Vanina; Decoster, Alain

2011-05-15

Ab initio molecular dynamics is used to compute the thermal and electrical conductivities of hydrogen from 10 to 160 g cm{sup -3} and temperatures up to 800 eV, i.e., thermodynamical conditions relevant to inertial confinement fusion (ICF). The ionic structure is obtained using molecular dynamics simulations based on an orbital-free treatment for the electrons. The transport properties were computed using ab initio simulations in the DFT/LDA approximation. The thermal and electrical conductivities are evaluated using Kubo-Greenwood formulation. Particular attention is paid to the convergence of electronic transport properties with respect to the number of bands and atoms. These calculations aremore » then used to check various analytical models (Hubbard's, Lee-More's and Ichimaru's) widely used in hydrodynamics simulations of ICF capsule implosions. The Lorenz number, which is the ratio between thermal and electrical conductivities, is also computed and compared to the well-known Wiedemann-Franz law in different regimes ranging from the highly degenerate to the kinetic one. This allows us to deduce electrical conductivity from thermal conductivity for analytical model. We find that the coupling of Hubbard and Spitzer models gives a correct description of the behavior of electrical and thermal conductivities in the whole thermodynamic regime.« less

Simulation of high temperature thermal energy storage system based on coupled metal hydrides for solar driven steam power plants

DOE Office of Scientific and Technical Information (OSTI.GOV)

d'Entremont, Anna; Corgnale, Claudio; Hardy, Bruce

Concentrating solar power plants can achieve low cost and efficient renewable electricity production if equipped with adequate thermal energy storage systems. Metal hydride based thermal energy storage systems are appealing candidates due to their demonstrated potential for very high volumetric energy densities, high exergetic efficiencies, and low costs. The feasibility and performance of a thermal energy storage system based on NaMgH 2F hydride paired with TiCr 1.6Mn 0.2 is examined, discussing its integration with a solar-driven ultra-supercritical steam power plant. The simulated storage system is based on a laboratory-scale experimental apparatus. It is analyzed using a detailed transport model accountingmore » for the thermochemical hydrogen absorption and desorption reactions, including kinetics expressions adequate for the current metal hydride system. The results show that the proposed metal hydride pair can suitably be integrated with a high temperature steam power plant. The thermal energy storage system achieves output energy densities of 226 kWh/m 3, 9 times the DOE SunShot target, with moderate temperature and pressure swings. Also, simulations indicate that there is significant scope for performance improvement via heat-transfer enhancement strategies.« less

Modeling of convection phenomena in Bridgman-Stockbarger crystal growth

NASA Technical Reports Server (NTRS)

Carlson, F. M.; Eraslan, A. H.; Sheu, J. Z.

1985-01-01

Thermal convection phenomena in a vertically oriented Bridgman-Stockbarger apparatus were modeled by computer simulations for different gravity conditions, ranging from earth conditions to extremely low gravity, approximate space conditions. The modeling results were obtained by the application of a state-of-the art, transient, multi-dimensional, completely densimetrically coupled, discrete-element computational model which was specifically developed for the simulation of flow, temperature, and species concentration conditions in two-phase (solid-liquid) systems. The computational model was applied to the simulation of the flow and the thermal conditions associated with the convection phenomena in a modified Germanium-Silicon charge enclosed in a stationary fused-silica ampoule. The results clearly indicated that the gravitational field strength influences the characteristics of the coherent vortical flow patterns, interface shape and position, maximum melt velocity, and interfacial normal temperature gradient.

Fracturing And Liquid CONvection

DOE Office of Scientific and Technical Information (OSTI.GOV)

2012-02-29

FALCON has been developed to enable simulation of the tightly coupled fluid-rock behavior in hydrothermal and engineered geothermal system (EGS) reservoirs, targeting the dynamics of fracture stimulation, fluid flow, rock deformation, and heat transport in a single integrated code, with the ultimate goal of providing a tool that can be used to test the viability of EGS in the United States and worldwide. Reliable reservoir performance predictions of EGS systems require accurate and robust modeling for the coupled thermal­hydrological­mechanical processes.

Development and testing of a numerical simulation method for thermally nonequilibrium dissociating flows in ANSYS Fluent

NASA Astrophysics Data System (ADS)

Shoev, G. V.; Bondar, Ye. A.; Oblapenko, G. P.; Kustova, E. V.

2016-03-01

Various issues of numerical simulation of supersonic gas flows with allowance for thermochemical nonequilibrium on the basis of fluid dynamic equations in the two-temperature approximation are discussed. The computational tool for modeling flows with thermochemical nonequilibrium is the commercial software package ANSYS Fluent with an additional userdefined open-code module. A comparative analysis of results obtained by various models of vibration-dissociation coupling in binary gas mixtures of nitrogen and oxygen is performed. Results of numerical simulations are compared with available experimental data.

CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 User’s Guide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freedman, Vicky L.; Chen, Yousu; Gilca, Alex

2006-07-20

The CFEST (Coupled Flow, Energy, and Solute Transport) simulator described in this User’s Guide is a three-dimensional finite-element model used to evaluate groundwater flow and solute mass transport. Confined and unconfined aquifer systems, as well as constant and variable density fluid flows can be represented with CFEST. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentra¬tion of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardationmore » factor, and radioactive decay. Although several thermal parameters described in this User’s Guide are required inputs, thermal transport has not yet been fully implemented in the simulator. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. The CFEST simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards. Execution of the CFEST simulator is controlled through three required text input files. These input file use a structured format of associated groups of input data. Example input data lines are presented for each file type, as well as a description of the structured FORTRAN data format. Detailed descriptions of all input requirements, output options, and program structure and execution are provided in this User’s Guide. Required inputs for auxillary CFEST utilities that aide in post-processing data are also described. Global variables are defined for those with access to the source code. Although CFEST is a proprietary code (CFEST, Inc., Irvine, CA), the Pacific Northwest National Laboratory retains permission to maintain its own source, and to distribute executables to Hanford subcontractors.« less

Numerical simulation of heat transfer in blood flow altered by electroosmosis through tapered micro-vessels.

PubMed

Prakash, J; Ramesh, K; Tripathi, D; Kumar, R

2018-07-01

A numerical simulation is presented to study the heat and flow characteristics of blood flow altered by electroosmosis through the tapered micro-vessels. Blood is assumed as non-Newtonian (micropolar) nanofluids. The flow regime is considered as asymmetric diverging (tapered) microchannel for more realistic micro-vessels which is produced by choosing the peristaltic wave train on the walls to have different amplitudes and phase. The Rosseland approximation is employed to model the radiation heat transfer and temperatures of the walls are presumed constants. The mathematical formulation of the present problem is simplified under the long-wavelength, low-Reynolds number and Debye-Hückel linearization approximations. The influence of various dominant physical parameters are discussed for axial velocity, microrotation distribution, thermal temperature distribution and nanoparticle volume fraction field. However, our foremost emphasis is to determine the effects of thermal radiation and coupling number on the axial velocity and microrotation distribution beneath electroosmotic environment. This analysis places a significant observation on the thermal radiation and coupling number which plays an influential role in hearten fluid velocity. This study is encouraged by exploring the nanofluid-dynamics in peristaltic transport as symbolized by heat transport in biological flows and also in novel pharmacodynamics pumps and gastro-intestinal motility enhancement. Copyright © 2018 Elsevier Inc. All rights reserved.

Absolute efficiency calibration of 6LiF-based solid state thermal neutron detectors

NASA Astrophysics Data System (ADS)

Finocchiaro, Paolo; Cosentino, Luigi; Lo Meo, Sergio; Nolte, Ralf; Radeck, Desiree

2018-03-01

The demand for new thermal neutron detectors as an alternative to 3He tubes in research, industrial, safety and homeland security applications, is growing. These needs have triggered research and development activities about new generations of thermal neutron detectors, characterized by reasonable efficiency and gamma rejection comparable to 3He tubes. In this paper we show the state of the art of a promising low-cost technique, based on commercial solid state silicon detectors coupled with thin neutron converter layers of 6LiF deposited onto carbon fiber substrates. A few configurations were studied with the GEANT4 simulation code, and the intrinsic efficiency of the corresponding detectors was calibrated at the PTB Thermal Neutron Calibration Facility. The results show that the measured intrinsic detection efficiency is well reproduced by the simulations, therefore validating the simulation tool in view of new designs. These neutron detectors have also been tested at neutron beam facilities like ISIS (Rutherford Appleton Laboratory, UK) and n_TOF (CERN) where a few samples are already in operation for beam flux and 2D profile measurements. Forthcoming applications are foreseen for the online monitoring of spent nuclear fuel casks in interim storage sites.

Pellet-clad mechanical interaction screening using VERA applied to Watts Bar Unit 1, Cycles 1–3

DOE PAGES

Stimpson, Shane; Powers, Jeffrey; Clarno, Kevin; ...

2017-12-22

The Consortium for Advanced Simulation of Light Water Reactors (CASL) aims to provide high-fidelity multiphysics simulations of light water nuclear reactors. To accomplish this, CASL is developing the Virtual Environment for Reactor Applications (VERA), which is a suite of code packages for thermal hydraulics, neutron transport, fuel performance, and coolant chemistry. As VERA continues to grow and expand, there has been an increased focus on incorporating fuel performance analysis methods. One of the primary goals of CASL is to estimate local cladding failure probability through pellet-clad interaction, which consists of both pellet-clad mechanical interaction (PCMI) and stress corrosion cracking. Estimatingmore » clad failure is important to preventing release of fission products to the primary system and accurate estimates could prove useful in establishing less conservative power ramp rates or when considering load-follow operations.While this capability is being pursued through several different approaches, the procedure presented in this article focuses on running independent fuel performance calculations with BISON using a file-based one-way coupling based on multicycle output data from high fidelity, pin-resolved coupled neutron transport–thermal hydraulics simulations. This type of approach is consistent with traditional fuel performance analysis methods, which are typically separate from core simulation analyses. A more tightly coupled approach is currently being developed, which is the ultimate target application in CASL.Recent work simulating 12 cycles of Watts Bar Unit 1 with VERA core simulator are capitalized upon, and quarter-core BISON results for parameters of interest to PCMI (maximum centerline fuel temperature, maximum clad hoop stress, and minimum gap size) are presented for Cycles 1–3. In conclusion, based on these results, this capability demonstrates its value and how it could be used as a screening tool for gathering insight into PCMI, singling out limiting rods for further, more detailed analysis.« less

Pellet-clad mechanical interaction screening using VERA applied to Watts Bar Unit 1, Cycles 1–3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stimpson, Shane; Powers, Jeffrey; Clarno, Kevin

The Consortium for Advanced Simulation of Light Water Reactors (CASL) aims to provide high-fidelity multiphysics simulations of light water nuclear reactors. To accomplish this, CASL is developing the Virtual Environment for Reactor Applications (VERA), which is a suite of code packages for thermal hydraulics, neutron transport, fuel performance, and coolant chemistry. As VERA continues to grow and expand, there has been an increased focus on incorporating fuel performance analysis methods. One of the primary goals of CASL is to estimate local cladding failure probability through pellet-clad interaction, which consists of both pellet-clad mechanical interaction (PCMI) and stress corrosion cracking. Estimatingmore » clad failure is important to preventing release of fission products to the primary system and accurate estimates could prove useful in establishing less conservative power ramp rates or when considering load-follow operations.While this capability is being pursued through several different approaches, the procedure presented in this article focuses on running independent fuel performance calculations with BISON using a file-based one-way coupling based on multicycle output data from high fidelity, pin-resolved coupled neutron transport–thermal hydraulics simulations. This type of approach is consistent with traditional fuel performance analysis methods, which are typically separate from core simulation analyses. A more tightly coupled approach is currently being developed, which is the ultimate target application in CASL.Recent work simulating 12 cycles of Watts Bar Unit 1 with VERA core simulator are capitalized upon, and quarter-core BISON results for parameters of interest to PCMI (maximum centerline fuel temperature, maximum clad hoop stress, and minimum gap size) are presented for Cycles 1–3. In conclusion, based on these results, this capability demonstrates its value and how it could be used as a screening tool for gathering insight into PCMI, singling out limiting rods for further, more detailed analysis.« less

Progress towards an Optimization Methodology for Combustion-Driven Portable Thermoelectric Power Generation Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krishnan, Shankar; Karri, Naveen K.; Gogna, Pawan K.

2012-03-13

Enormous military and commercial interests exist in developing quiet, lightweight, and compact thermoelectric (TE) power generation systems. This paper investigates design integration and analysis of an advanced TE power generation system implementing JP-8 fueled combustion and thermal recuperation. Design and development of a portable TE power system using a JP-8 combustor as a high temperature heat source and optimal process flows depend on efficient heat generation, transfer, and recovery within the system are explored. Design optimization of the system required considering the combustion system efficiency and TE conversion efficiency simultaneously. The combustor performance and TE sub-system performance were coupled directlymore » through exhaust temperatures, fuel and air mass flow rates, heat exchanger performance, subsequent hot-side temperatures, and cold-side cooling techniques and temperatures. Systematic investigation of this system relied on accurate thermodynamic modeling of complex, high-temperature combustion processes concomitantly with detailed thermoelectric converter thermal/mechanical modeling. To this end, this work reports on design integration of systemlevel process flow simulations using commercial software CHEMCADTM with in-house thermoelectric converter and module optimization, and heat exchanger analyses using COMSOLTM software. High-performance, high-temperature TE materials and segmented TE element designs are incorporated in coupled design analyses to achieve predicted TE subsystem level conversion efficiencies exceeding 10%. These TE advances are integrated with a high performance microtechnology combustion reactor based on recent advances at the Pacific Northwest National Laboratory (PNNL). Predictions from this coupled simulation established a basis for optimal selection of fuel and air flow rates, thermoelectric module design and operating conditions, and microtechnology heat-exchanger design criteria. This paper will discuss this simulation process that leads directly to system efficiency power maps defining potentially available optimal system operating conditions and regimes. This coupled simulation approach enables pathways for integrated use of high-performance combustor components, high performance TE devices, and microtechnologies to produce a compact, lightweight, combustion driven TE power system prototype that operates on common fuels.« less

3D coupled heat and mass transfer processes at the scale of sedimentary basisn

NASA Astrophysics Data System (ADS)

Cacace, M.; Scheck-Wenderoth, M.; Kaiser, B. O.

2014-12-01

We use coupled 3D simulations of fluid, heat, and transport based on a 3D structural model of a complex geological setting, the Northeast German Basin (NEGB). The geological structure of the NEGB is characterized by a relatively thick layer of Permian Zechstein salt, structured in differnet diapirs (up to 5000 m thick) and pillows locally reaching nearly the surface. Salt is thermally more conductive than other sediments, hydraulically impervious but highly solvable. Thus salt structures have first order influence on the temperature distribution, the deep flow regime and the salinity of groundawater bearing aquifers. In addition, the post-Permian sedimentary sequence is vertically subdivided into several aquifers and aquitards. The shallow Quaternary to late Tertiary freshwater aquifer is separated from the underlying Mesozoic saline aquifers by an embedded Tertiary clay enriched aquitard (Rupelian Aquitard). An important feature of this aquitard is that hydraulic connections between the upper and lower aquifers exist in areas where the Rupelian Aquitard is missing (hydrogeological windows). By means of 3D numerical simulations we explore the role of heat conduction, pressure, and density driven groundwater flow as well as fluid viscosity-related and salinity-dependent effects on the resulting flow and temperature fields. Our results suggest that the regional temperature distribution within the basin results from interactions between regional pressure forces and thermal diffusion locally enhanced by thermal conductivity contrasts between the different sedimentary rocks with the highly conductive salt. Buoyancy forces triggered by temperature-dependent fluid density variations affect only locally the internal thermal configuration. Locations, geometry, and wavelengths of convective thermal anomalies are mainly controlled by the permeability field and thickness values of the respective geological layers. Numerical results from 3D thermo-haline numerical simulations suggest that hydrogeological windows act as preferential domains of hydraulic interconnectivity between the different aquifers at depth, and enable vigorous heat and mass transport which causes a mixing of warm and saline groundwater with cold and less saline groundwater within both aquifers.

Phase-tunable temperature amplifier

NASA Astrophysics Data System (ADS)

Paolucci, F.; Marchegiani, G.; Strambini, E.; Giazotto, F.

2017-06-01

Coherent caloritronics, the thermal counterpart of coherent electronics, has drawn growing attention since the discovery of heat interference in 2012. Thermal interferometers, diodes, transistors and nano-valves have been theoretically proposed and experimentally demonstrated by exploiting the quantum phase difference between two superconductors coupled through a Josephson junction. So far, the quantum-phase modulator has been realized in the form of a superconducting quantum interference device (SQUID) or a superconducting quantum interference proximity transistor (SQUIPT). Thence, an external magnetic field is necessary in order to manipulate the heat transport. Here, we theoretically propose the first on-chip fully thermal caloritronic device: the phase-tunable temperature amplifier (PTA). Taking advantage of a recently discovered thermoelectric effect in spin-split superconductors coupled to a spin-polarized system, we generate the magnetic flux controlling the transport through a temperature-biased SQUIPT by applying a temperature gradient. We simulate the behavior of the device and define a number of figures of merit in full analogy with voltage amplifiers. Notably, our architecture ensures almost infinite input thermal impedance, maximum gain of about 11 and efficiency reaching the 95%. This concept paves the way for applications in radiation sensing, thermal logics and quantum information.

Three-dimensional Cascaded Lattice Boltzmann Model for Thermal Convective Flows

NASA Astrophysics Data System (ADS)

Hajabdollahi, Farzaneh; Premnath, Kannan

2017-11-01

Fluid motion driven by thermal effects, such as due to buoyancy in differentially heated enclosures arise in several natural and industrial settings, whose understanding can be achieved via numerical simulations. Lattice Boltzmann (LB) methods are efficient kinetic computational approaches for coupled flow physics problems. In this study, we develop three-dimensional (3D) LB models based on central moments and multiple relaxation times for D3Q7 and D3Q15 lattices to solve the energy transport equations in a double distribution function approach. Their collision operators lead to a cascaded structure involving higher order terms resulting in improved stability. This is coupled to a central moment based LB flow solver with source terms. The new 3D cascaded LB models for the convective flows are first validated for natural convection of air driven thermally on two vertically opposite faces in a cubic cavity at different Rayleigh numbers against prior numerical and experimental data, which show good quantitative agreement. Then, the detailed structure of the 3D flow and thermal fields and the heat transfer rates at different Rayleigh numbers are analyzed and interpreted.

Crossover behavior of the thermal conductance and Kramers’ transition rate theory

DOE PAGES

Velizhanin, Kirill A.; Sahu, Subin; Chien, Chih -Chun; ...

2015-12-04

Kramers’ theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive themore » heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Finally, not only does this shed new light on Kramers’ classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale.« less

Base Heating Sensitivity Study for a 4-Cluster Rocket Motor Configuration in Supersonic Freestream

NASA Technical Reports Server (NTRS)

Mehta, Manish; Canabal, Francisco; Tashakkor, Scott B.; Smith, Sheldon D.

2011-01-01

In support of launch vehicle base heating and pressure prediction efforts using the Loci-CHEM Navier-Stokes computational fluid dynamics solver, 35 numerical simulations of the NASA TND-1093 wind tunnel test have been modeled and analyzed. This test article is composed of four JP-4/LOX 500 lbf rocket motors exhausting into a Mach 2 - 3.5 wind tunnel at various ambient pressure conditions. These water-cooled motors are attached to a base plate of a standard missile forebody. We explore the base heating profiles for fully coupled finite-rate chemistry simulations, one-way coupled RAMP (Reacting And Multiphase Program using Method of Characteristics)-BLIMPJ (Boundary Layer Integral Matrix Program - Jet Version) derived solutions and variable and constant specific heat ratio frozen flow simulations. Variations in turbulence models, temperature boundary conditions and thermodynamic properties of the plume have been investigated at two ambient pressure conditions: 255 lb/sq ft (simulated low altitude) and 35 lb/sq ft (simulated high altitude). It is observed that the convective base heat flux and base temperature are most sensitive to the nozzle inner wall thermal boundary layer profile which is dependent on the wall temperature, boundary layer s specific energy and chemical reactions. Recovery shock dynamics and afterburning significantly influences convective base heating. Turbulence models and external nozzle wall thermal boundary layer profiles show less sensitivity to base heating characteristics. Base heating rates are validated for the highest fidelity solutions which show an agreement within +/-10% with respect to test data.

Multidimensional Testing of Thermal Protection Materials in the Arcjet Test Facility

NASA Technical Reports Server (NTRS)

Agrawal, Parul; Ellerby, Donald T.; Switzer, Matt R.; Squire, Thomas Howard

2010-01-01

Many thermal protection system materials used for spacecraft heatshields have anisotropic thermal properties, causing them to display significantly different thermal characteristics in different directions, when subjected to a heating environment during flight or arcjet tests. The anisotropic effects are enhanced in the presence of sidewall heating. This paper investigates the effects of anisotropic thermal properties of thermal protection materials coupled with sidewall heating in the arcjet environment. Phenolic Impregnated Carbon Ablator (PICA) and LI-2200 materials (the insulation material of Shuttle tiles) were used for this study. First, conduction-based thermal response simulations were carried out, using the Marc.Mentat finite element solver, to study the effects of sidewall heating on PICA arcjet coupons. The simulation showed that sidewall heating plays a significant role in thermal response of these models. Arcjet tests at the Aerodynamic Heating Facility (AHF) at NASA Ames Research Center were performed later on instrumented coupons to obtain temperature history at sidewall and various radial locations. The details of instrumentation and experimental technique are the prime focus of this paper. The results obtained from testing confirmed that sidewall heating plays a significant role in thermal response of these models. The test results were later used to validate the two-dimensional ablation, thermal response, and sizing program, TITAN. The test data and model predictions were found to be in excellent agreement

Large-eddy simulations of mechanical and thermal processes within boundary layer of the Graciosa Island

NASA Astrophysics Data System (ADS)

Sever, G.; Collis, S. M.; Ghate, V. P.

2017-12-01

Three-dimensional numerical experiments are performed to explore the mechanical and thermal impacts of Graciosa Island on the sampling of oceanic airflow and cloud evolution. Ideal and real configurations of flow and terrain are planned using high-resolution, large-eddy resolving (e.g., Δ < 100 meter) simulations. Ideal configurations include model initializations with ideal dry and moist temperature and wind profiles to capture flow features over an island-like topography. Real configurations will use observations from different climatological background states over the Eastern Northern Atlantic, Atmospheric Radiation Measurement (ENA-ARM) site on Graciosa Island. Initial small-domain large-eddy simulations (LES) of dry airflow produce cold-pool formation upstream of an ideal two-kilometer island, with von Kármán like vortices propagation downstream. Although the peak height of Graciosa is less than half kilometer, the Azores island chain has a mountain over 2 km, which may be leading to more complex flow patterns when simulations are extended to a larger domain. Preliminary idealized low-resolution moist simulations indicate that the cloud field is impacted due to the presence of the island. Longer simulations that are performed to capture diurnal evolution of island boundary layer show distinct land/sea breeze formations under quiescent flow conditions. Further numerical experiments are planned to extend moist simulations to include realistic atmospheric profiles and observations of surface fluxes coupled with radiative effects. This work is intended to produce a useful simulation framework coupled with instruments to guide airborne and ground sampling strategies during the ACE-ENA field campaign which is aimed to better characterize marine boundary layer clouds.

Suppression of extraneous thermal noise in cavity optomechanics.

PubMed

Zhao, Yi; Wilson, Dalziel J; Ni, K-K; Kimble, H J

2012-02-13

Extraneous thermal motion can limit displacement sensitivity and radiation pressure effects, such as optical cooling, in a cavity-optomechanical system. Here we present an active noise suppression scheme and its experimental implementation. The main challenge is to selectively sense and suppress extraneous thermal noise without affecting motion of the oscillator. Our solution is to monitor two modes of the optical cavity, each with different sensitivity to the oscillator's motion but similar sensitivity to the extraneous thermal motion. This information is used to imprint "anti-noise" onto the frequency of the incident laser field. In our system, based on a nano-mechanical membrane coupled to a Fabry-Pérot cavity, simulation and experiment demonstrate that extraneous thermal noise can be selectively suppressed and that the associated limit on optical cooling can be reduced.

Surface thermochemical effects on TPS-coupled aerothermodynamics in hypersonic Martian gas flow

NASA Astrophysics Data System (ADS)

Yang, Xiaofeng; Gui, Yewei; Tang, Wei; Du, Yanxia; Liu, Lei; Xiao, Guangming; Wei, Dong

2018-06-01

This paper deals with the surface thermochemical effects on TPS-coupled aerothermodynamics in hypersonic Martian gas flow. An interface condition with finite-rate thermochemistry was established to balance the three-dimensional Navier-Stokes solver and TPS thermal response solver, and a series of coupled simulations of chemical non-equilibrium aerothermodynamics and structure heat transfer with various surface catalycities were performed for hypersonic Mars entries. The analysis of surface thermochemistry reveals that the surface chemical reactions have great contribution to aerodynamic heating, and the temperature-dependence of finite-rate catalysis highly influences the evolution of the coupling aerodynamic heating in the coupling process. For fixed free stream parameters with proper catalytic excitation energy, a "leap" phenomenon of the TPS-coupled heat flux with the coupling time appears in the initial stage of the coupling process, due to the strong thermochemical effects on the TPS surface.

Thermal rectification in mass-graded next-nearest-neighbor Fermi-Pasta-Ulam lattices

NASA Astrophysics Data System (ADS)

Romero-Bastida, M.; Miranda-Peña, Jorge-Orlando; López, Juan M.

2017-03-01

We study the thermal rectification efficiency, i.e., quantification of asymmetric heat flow, of a one-dimensional mass-graded anharmonic oscillator Fermi-Pasta-Ulam lattice both with nearest-neighbor (NN) and next-nearest-neighbor (NNN) interactions. The system presents a maximum rectification efficiency for a very precise value of the parameter that controls the coupling strength of the NNN interactions, which also optimizes the rectification figure when its dependence on mass asymmetry and temperature differences is considered. The origin of the enhanced rectification is the asymmetric local heat flow response as the heat reservoirs are swapped when a finely tuned NNN contribution is taken into account. A simple theoretical analysis gives an estimate of the optimal NNN coupling in excellent agreement with our simulation results.

Coupled double-distribution-function lattice Boltzmann method for the compressible Navier-Stokes equations.

PubMed

Li, Q; He, Y L; Wang, Y; Tao, W Q

2007-11-01

A coupled double-distribution-function lattice Boltzmann method is developed for the compressible Navier-Stokes equations. Different from existing thermal lattice Boltzmann methods, this method can recover the compressible Navier-Stokes equations with a flexible specific-heat ratio and Prandtl number. In the method, a density distribution function based on a multispeed lattice is used to recover the compressible continuity and momentum equations, while the compressible energy equation is recovered by an energy distribution function. The energy distribution function is then coupled to the density distribution function via the thermal equation of state. In order to obtain an adjustable specific-heat ratio, a constant related to the specific-heat ratio is introduced into the equilibrium energy distribution function. Two different coupled double-distribution-function lattice Boltzmann models are also proposed in the paper. Numerical simulations are performed for the Riemann problem, the double-Mach-reflection problem, and the Couette flow with a range of specific-heat ratios and Prandtl numbers. The numerical results are found to be in excellent agreement with analytical and/or other solutions.

A templated approach for multi-physics modeling of hybrid energy systems in Modelica

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greenwood, Michael Scott; Cetiner, Sacit M.; Harrison, Thomas J.

A prototypical hybrid energy system (HES) couples a primary thermal power generator (i.e., nuclear power plant) with one or more additional subsystems beyond the traditional balance of plant electricity generation system. The definition and architecture of an HES can be adapted based on the needs and opportunities of a given local market. For example, locations in need of potable water may be best served by coupling a desalination plant to the HES. A location near an oil refinery may have a need for emission-free hydrogen production. The flexible, multidomain capabilities of Modelica are being used to investigate the dynamics (e.g.,more » thermal hydraulics and electrical generation/consumption) of such a hybrid system. This paper examines the simulation infrastructure created to enable the coupling of multiphysics subsystem models for HES studies. A demonstration of a tightly coupled nuclear hybrid energy system implemented using the Modelica based infrastructure is presented for two representative cases. An appendix is also included providing a step-by-step procedure for using the template-based infrastructure.« less

Determination of Vertical Borehole and Geological Formation Properties using the Crossed Contour Method

PubMed Central

Leyde, Brian P.; Klein, Sanford A; Nellis, Gregory F.; Skye, Harrison

2017-01-01

This paper presents a new method called the Crossed Contour Method for determining the effective properties (borehole radius and ground thermal conductivity) of a vertical ground-coupled heat exchanger. The borehole radius is used as a proxy for the overall borehole thermal resistance. The method has been applied to both simulated and experimental borehole Thermal Response Test (TRT) data using the Duct Storage vertical ground heat exchanger model implemented in the TRansient SYstems Simulation software (TRNSYS). The Crossed Contour Method generates a parametric grid of simulated TRT data for different combinations of borehole radius and ground thermal conductivity in a series of time windows. The error between the average of the simulated and experimental bore field inlet and outlet temperatures is calculated for each set of borehole properties within each time window. Using these data, contours of the minimum error are constructed in the parameter space of borehole radius and ground thermal conductivity. When all of the minimum error contours for each time window are superimposed, the point where the contours cross (intersect) identifies the effective borehole properties for the model that most closely represents the experimental data in every time window and thus over the entire length of the experimental data set. The computed borehole properties are compared with results from existing model inversion methods including the Ground Property Measurement (GPM) software developed by Oak Ridge National Laboratory, and the Line Source Model. PMID:28785125

Energy transfer and motion synchronization between mechanical oscillators through microhydrodynamic coupling

NASA Astrophysics Data System (ADS)

Wan, Yu; Jin, Kai; Ahmad, Talha J.; Black, Michael J.; Xu, Zhiping

2017-03-01

Fluidic environment is encountered for mechanical components in many circumstances, which not only damps the oscillation but also modulates their dynamical behaviors through hydrodynamic interactions. In this study, we examine energy transfer and motion synchronization between two mechanical micro-oscillators by performing thermal lattice-Boltzmann simulations. The coefficient of inter-oscillator energy transfer is measured to quantify the strength of microhydrodynamic coupling, which depends on their distance and fluid properties such as density and viscosity. Synchronized motion of the oscillators is observed in the simulations for typical parameter sets in relevant applications, with the formation and loss of stable anti-phase synchronization controlled by the oscillating frequency, amplitude, and hydrodynamic coupling strength. The critical ranges of key parameters to assure efficient energy transfer or highly synchronized motion are predicted. These findings could be used to advise mechanical design of passive and active devices that operate in fluid.

Isentropic Compression with a Rectangular Configuration for Tungstene and Tantalum, Computations and Comparison with Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lefrancois, A.; Reisman, D. B.; Bastea, M.

2006-02-13

Isentropic compression experiments and numerical simulations on metals are performed at Z accelerator facility from Sandia National Laboratory and at Lawrence Livermore National Laboratory in order to study the isentrope, associated Hugoniot and phase changes of these metals. 3D configurations have been calculated here to benchmark the new beta version of the electromagnetism package coupled with the dynamics in Ls-Dyna and compared with the ICE Z shots 1511 and 1555. The electromagnetism module is being developed in the general-purpose explicit and implicit finite element program LS-DYNA{reg_sign} in order to perform coupled mechanical/thermal/electromagnetism simulations. The Maxwell equations are solved using amore » Finite Element Method (FEM) for the solid conductors coupled with a Boundary Element Method (BEM) for the surrounding air (or vacuum). More details can be read in the references.« less

Intercalated water layers promote thermal dissipation at bio-nano interfaces.

PubMed

Wang, Yanlei; Qin, Zhao; Buehler, Markus J; Xu, Zhiping

2016-09-23

The increasing interest in developing nanodevices for biophysical and biomedical applications results in concerns about thermal management at interfaces between tissues and electronic devices. However, there is neither sufficient knowledge nor suitable tools for the characterization of thermal properties at interfaces between materials of contrasting mechanics, which are essential for design with reliability. Here we use computational simulations to quantify thermal transfer across the cell membrane-graphene interface. We find that the intercalated water displays a layered order below a critical value of ∼1 nm nanoconfinement, mediating the interfacial thermal coupling, and efficiently enhancing the thermal dissipation. We thereafter develop an analytical model to evaluate the critical value for power generation in graphene before significant heat is accumulated to disturb living tissues. These findings may provide a basis for the rational design of wearable and implantable nanodevices in biosensing and thermotherapic treatments where thermal dissipation and transport processes are crucial.

Studying the Effect of Deposition Conditions on the Performance and Reliability of MEMS Gas Sensors

PubMed Central

Sadek, Khaled; Moussa, Walied

2007-01-01

In this paper, the reliability of a micro-electro-mechanical system (MEMS)-based gas sensor has been investigated using Three Dimensional (3D) coupled multiphysics Finite Element (FE) analysis. The coupled field analysis involved a two-way sequential electrothermal fields coupling and a one-way sequential thermal-structural fields coupling. An automated substructuring code was developed to reduce the computational cost involved in simulating this complicated coupled multiphysics FE analysis by up to 76 percent. The substructured multiphysics model was then used to conduct a parametric study of the MEMS-based gas sensor performance in response to the variations expected in the thermal and mechanical characteristics of thin films layers composing the sensing MEMS device generated at various stages of the microfabrication process. Whenever possible, the appropriate deposition variables were correlated in the current work to the design parameters, with good accuracy, for optimum operation conditions of the gas sensor. This is used to establish a set of design rules, using linear and nonlinear empirical relations, which can be utilized in real-time at the design and development decision-making stages of similar gas sensors to enable the microfabrication of these sensors with reliable operation.

Spectral and Spatial Coherent Emission of Thermal Radiation from Metal-Semiconductor Nanostructures

DTIC Science & Technology

2012-03-01

Coupled Wave Analysis (RCWA) numerical technique and Computer Simulation Technology (CST) electromagnetic modeling software, two structures were...Stephanie Gray, IR-VASE and modeling  Dr. Kevin Gross, FTIR  Mr. Richard Johnston, Cleanroom and Photolithography  Ms. Abbey Juhl, Nanoscribe...Appendix B. Supplemental IR-VASE Measurements and Modeling .............................114 Bibliography

Comprehensive evaluation of direct injection mass spectrometry for the quantitative profiling of volatiles in food samples

PubMed Central

2016-01-01

Although qualitative strategies based on direct injection mass spectrometry (DIMS) have recently emerged as an alternative for the rapid classification of food samples, the potential of these approaches in quantitative tasks has scarcely been addressed to date. In this paper, the applicability of different multivariate regression procedures to data collected by DIMS from simulated mixtures has been evaluated. The most relevant factors affecting quantitation, such as random noise, the number of calibration samples, type of validation, mixture complexity and similarity of mass spectra, were also considered and comprehensively discussed. Based on the conclusions drawn from simulated data, and as an example of application, experimental mass spectral fingerprints collected by direct thermal desorption coupled to mass spectrometry were used for the quantitation of major volatiles in Thymus zygis subsp. zygis chemotypes. The results obtained, validated with the direct thermal desorption coupled to gas chromatography–mass spectrometry method here used as a reference, show the potential of DIMS approaches for the fast and precise quantitative profiling of volatiles in foods. This article is part of the themed issue ‘Quantitative mass spectrometry’. PMID:27644978

Effect of Surface Nonequilibrium Thermochemistry in Simulation of Carbon Based Ablators

NASA Technical Reports Server (NTRS)

Chen, Yih-Kang; Gokcen, Tahir

2012-01-01

This study demonstrates that coupling of a material thermal response code and a flow solver using finite-rate gas/surface interaction model provides time-accurate solutions for multidimensional ablation of carbon based charring ablators. The material thermal response code used in this study is the Two-dimensional Implicit Thermal Response and Ablation Program (TITAN), which predicts charring material thermal response and shape change on hypersonic space vehicles. Its governing equations include total energy balance, pyrolysis gas momentum conservation, and a three-component decomposition model. The flow code solves the reacting Navier-Stokes equations using Data Parallel Line Relaxation (DPLR) method. Loose coupling between material response and flow codes is performed by solving the surface mass balance in DPLR and the surface energy balance in TITAN. Thus, the material surface recession is predicted by finite-rate gas/surface interaction boundary conditions implemented in DPLR, and the surface temperature and pyrolysis gas injection rate are computed in TITAN. Two sets of gas/surface interaction chemistry between air and carbon surface developed by Park and Zhluktov, respectively, are studied. Coupled fluid-material response analyses of stagnation tests conducted in NASA Ames Research Center arc-jet facilities are considered. The ablating material used in these arc-jet tests was a Phenolic Impregnated Carbon Ablator (PICA). Computational predictions of in-depth material thermal response and surface recession are compared with the experimental measurements for stagnation cold wall heat flux ranging from 107 to 1100 Watts per square centimeter.

Effect of Non-Equilibrium Surface Thermochemistry in Simulation of Carbon Based Ablators

NASA Technical Reports Server (NTRS)

Chen, Yih-Kanq; Gokcen, Tahir

2012-01-01

This study demonstrates that coupling of a material thermal response code and a flow solver using non-equilibrium gas/surface interaction model provides time-accurate solutions for the multidimensional ablation of carbon based charring ablators. The material thermal response code used in this study is the Two-dimensional Implicit Thermal-response and AblatioN Program (TITAN), which predicts charring material thermal response and shape change on hypersonic space vehicles. Its governing equations include total energy balance, pyrolysis gas mass conservation, and a three-component decomposition model. The flow code solves the reacting Navier-Stokes equations using Data Parallel Line Relaxation (DPLR) method. Loose coupling between the material response and flow codes is performed by solving the surface mass balance in DPLR and the surface energy balance in TITAN. Thus, the material surface recession is predicted by finite-rate gas/surface interaction boundary conditions implemented in DPLR, and the surface temperature and pyrolysis gas injection rate are computed in TITAN. Two sets of nonequilibrium gas/surface interaction chemistry between air and the carbon surface developed by Park and Zhluktov, respectively, are studied. Coupled fluid-material response analyses of stagnation tests conducted in NASA Ames Research Center arc-jet facilities are considered. The ablating material used in these arc-jet tests was Phenolic Impregnated Carbon Ablator (PICA). Computational predictions of in-depth material thermal response and surface recession are compared with the experimental measurements for stagnation cold wall heat flux ranging from 107 to 1100 Watts per square centimeter.

Temperature and Thermal Expansion Analysis of the Cooling Roller Based on the Variable Heat Flux Boundary Condition

NASA Astrophysics Data System (ADS)

Li, Yongkang; Yang, Yang; He, Changyan

2018-04-01

Planar flow casting (PFC) is a primary method for preparing an amorphous ribbon. The qualities of the amorphous ribbon are significantly influenced by the temperature and thermal expansion of the cooling roller. This study proposes a new approach to analyze the three-dimensional temperature and thermal expansion of the cooling roller using variable heat flux that acted on the cooling roller as a boundary condition. First, a simplified two-dimensional model of the PFC is developed to simulate the distribution of the heat flux in the circumferential direction with the software FLUENT. The resulting heat flux is extended to be three-dimensional in the ribbon's width direction. Then, the extended heat flux is imported as the boundary condition by the CFX Expression Language, and the transient temperature of the cooling roller is analyzed in the CFX software. Next, the transient thermal expansion of the cooling roller is simulated through the thermal-structural coupling method. Simulation results show that the roller's temperature and expansion are unevenly distributed, reach the peak value in the middle width direction, and the quasi-steady state of the maximum temperature and thermal expansion are achieved after approximately 50 s and 150 s of casting, respectively. The minimum values of the temperature and expansion are achieved when the roller has a thickness of 45 mm. Finally, the reliability of the approach proposed is verified by measuring the roller's thermal expansion on the spot. This study provides theoretical guidance for the roller's thermal expansion prediction and the gap adjustment in the PFC.

Temperature and Thermal Expansion Analysis of the Cooling Roller Based on the Variable Heat Flux Boundary Condition

NASA Astrophysics Data System (ADS)

Li, Yongkang; Yang, Yang; He, Changyan

2018-06-01

Planar flow casting (PFC) is a primary method for preparing an amorphous ribbon. The qualities of the amorphous ribbon are significantly influenced by the temperature and thermal expansion of the cooling roller. This study proposes a new approach to analyze the three-dimensional temperature and thermal expansion of the cooling roller using variable heat flux that acted on the cooling roller as a boundary condition. First, a simplified two-dimensional model of the PFC is developed to simulate the distribution of the heat flux in the circumferential direction with the software FLUENT. The resulting heat flux is extended to be three-dimensional in the ribbon's width direction. Then, the extended heat flux is imported as the boundary condition by the CFX Expression Language, and the transient temperature of the cooling roller is analyzed in the CFX software. Next, the transient thermal expansion of the cooling roller is simulated through the thermal-structural coupling method. Simulation results show that the roller's temperature and expansion are unevenly distributed, reach the peak value in the middle width direction, and the quasi-steady state of the maximum temperature and thermal expansion are achieved after approximately 50 s and 150 s of casting, respectively. The minimum values of the temperature and expansion are achieved when the roller has a thickness of 45 mm. Finally, the reliability of the approach proposed is verified by measuring the roller's thermal expansion on the spot. This study provides theoretical guidance for the roller's thermal expansion prediction and the gap adjustment in the PFC.

Computer simulation of thermal conductivity in vulcanized polyisoprene at variable strain and temperature

NASA Astrophysics Data System (ADS)

Engelmann, Sven; Meyer, Jan; Hentschke, Reinhard

2017-08-01

We study the thermal conductivity tensor in an atomistic model of vulcanized cis-1,4-polyisoprene (PI) rubber via molecular dynamics simulations. Our polymer force field is based on V. A. Harmandaris et al. [J. Chem. Phys. 116, 436 (2002), 10.1063/1.1416872], whereas the polymerization algorithm follows the description in J. Hager et al. [Macromolecules 48, 9039 (2015), 10.1021/acs.macromol.5b01864]. The polymer chains are chemically cross linked via sulfur bridges of adjustable cross-link density. A volume-conserving uniaxial strain of up to 200% is applied to the systems. The widely used GROMACS simulation package is adapted to allow using the Green-Kubo approach to calculate the thermal conductivity tensor components. Our analysis of the heat flux autocorrelation functions leads to the conclusion that the thermal conductivity in PI is governed by short-lived phonon modes at low wave numbers due to deformation of the monomers along the polymer backbone. Applying uniaxial strain causes increased orientation of monomers along the strain direction, which enhances the attendant thermal conductivity component. We find an exponential increase of the conductivity in stretch direction in terms of an attendant orientation order parameter. This is accompanied by a simultaneous decline of thermal conductivity in the orthogonal directions. Increase of the cross-link density only has a weak effect on thermal conductivity in the unstrained system, even at high cross-link density. In the strained system we do observed a rising thermal conductivity in the limit of high stress. This increase is attributed to enhanced coupling between chains rather than to their orientation.

Thermophysical Properties of Lithium Alloys for Thermal Batteries

NASA Astrophysics Data System (ADS)

Swift, Geoffrey A.

2011-10-01

Thermal batteries are electrochemical systems primarily used in defense applications. The long-term storage capability afforded by the electrically inert low-temperature properties of the electrolyte-separator enables the use of this technology for military purposes. The current state-of-the art for thermal batteries relies upon the Li/FeS2 couple for power generation with the anode typically an Li-Si or Li-Al alloy. Thermal modeling of these primary battery systems is crucial to allowing the predictive capability of thermal evolution both in terms of the battery lifetime and thermal profile for the proper design of internal insulation and the surrounding environment. However, thermophysical properties for the anode alloys are not available in the literature. Thermophysical measurements of the alloys used in thermal batteries are essential for thermal modeling and simulation. The laser-flash method was used to determine the specific heat, thermal diffusivity, and thermal conductivity for Li-Si and Li-Al alloys as a function of temperature.

Neutron detection devices with 6LiF converter layers

NASA Astrophysics Data System (ADS)

Finocchiaro, Paolo; Cosentino, Luigi; Meo, Sergio Lo; Nolte, Ralf; Radeck, Desiree

2018-01-01

The demand for new thermal neutron detectors as an alternative to 3He tubes in research, industrial, safety and homeland security applications, is growing. These needs have triggered research and development activities about new generations of thermal neutron detectors, characterized by reasonable efficiency and gamma rejection comparable to 3He tubes. In this paper we show the state of art of a promising lowcost technique, based on commercial solid state silicon detectors coupled with thin neutron converter layers of 6LiF deposited onto carbon fiber substrates. Several configurations were studied with the GEANT4 simulation code, and then calibrated at the PTB Thermal Neutron Calibration Facility. The results show that the measured detection efficiency is well reproduced by the simulations, therefore validating the simulation tool in view of new designs. These neutron detectors have also been tested at neutron beam facilities like ISIS (Rutherford Appleton Laboratory, UK) and n_TOF (CERN) where a few samples are already in operation for beam flux and 2D profile measurements. Forthcoming applications are foreseen for the online monitoring of spent nuclear fuel casks in interim storage sites.

3-D Particle Simulation of Strongly-Coupled Chains of Charged Polymers

NASA Astrophysics Data System (ADS)

Tanaka, Toyoichi; Tanaka, Motohiko; Pande, V.; Grosberg, A.

1996-11-01

The behaviors of the polyampholyte (PA) which is a connected chain of charged beads (molecules) submerged in the neutral solvent is studied using the 3-D particle simulation code. The major issue is how an equilibrium and kinetics of the PA depend on the thermal and electrostatic forces, i.e., the coupling constant Γ= e^2/aT . We follow a dynamical evolution of the PA, considering the electrostatic force, (2) the binding force between the adjacent beads, (3) the random thermal force exerted by the solvent, and (4) the frictional force: m fracdv_idt = sumj fracZ_iZj e^2 |ri -r_j|^2 hatr_ij - frac3Ta^2(2 ri -r_i+1 -r_i-1) + F^(th) - m ν v_i. Preliminary runs show that, when the excess charge δ N on the chain is larger than N^1/2 ( N : the number of the beads), the size of the polyampholyte increases as in the Monte Carlo simulation using the energy principle [Kantor, Kardar and Li, Phys.Rev.E, 49, 1383 (1994)]. The measured time rate of the size increase for the fixed value of Γ is scaled as, d/dt ~ δ N - N^1/2 for δ N > N^1/2 , and d/dt ~ 0 otherwise.

Molecular dynamics simulations of flame propagation along a monopropellant PETN coupled with multi-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Jain, S.; Mo, G.; Qiao, L.

2017-02-01

Reactive molecular dynamics simulations were conducted to study the flame speed enhancement phenomenon of a solid mono-propellant, Pentaerythritol Tetranitrate (PETN), when coupled to highly conductive multi-walled carbon nanotubes (MWCNTs). The simulations were based on the first-principles derived reactive force field, ReaxFF, which includes both the physical changes such as thermal transport and the chemical changes such as bond breaking and forming. An annular deposition of a PETN layer around the MWCNTs was considered. The thickness of the PETN layer and the diameter of the MWCNT were varied to understand the effect of the MWCNT loading ratio on the flame propagation. Flame speed enhancements up to 3 times the bulk value were observed. An optimal MWCNT loading ratio was determined. The enhancement was attributed to the layering of the PETN molecules around the MWCNT, which increased the heat transport among the PETN molecules near the MWCNT surface, thus causing the flame to travel faster. Furthermore, a stronger ignition source was required for the MWCNT-PETN complex because of the higher thermal transport among the PETN molecules along the MWCNT, which makes the ignition energy dissipate more quickly. Lastly, the MWCNT remained unburned during the PETN combustion process.

Liquid core microbubble resonators for highly sensitive temperature sensing

NASA Astrophysics Data System (ADS)

Ward, Jonathan M.; Yang, Yong; Nic Chormaic, Sile

2014-03-01

It is experimentally shown that a large thermal blue shift of up to 100 GHz/K (0.2 nm/K at a wavelength of 775 nm) can be achieved with higher order radial modes in an ethanol-filled microbubble whispering gallery mode resonator (WGR). Q-factors for the most thermally sensitive modes are typically 105, equivalent to a measurement resolution of 8.5 mK. The thermal shift rate is determined for different modes when the core of the microbubble is filled with air, water, and ethanol. The measured shifts are compared against Finite Element Model (FEM) simulations. It is also shown that, if the microbubble is in the quasi-droplet regime, the fundamental TE mode in a bubble with a 500 nm wall is estimated to experience a shift of 35 GHz/K, while the effective index is still high enough to allow efficient coupling to a tapered optical fiber. Nonetheless, at a wall thickness of 1 μm, the most sensitive modes (n = 2) observed were still strongly coupled.

A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer

NASA Astrophysics Data System (ADS)

Pierre, Sadrach; Duke, Jessica R.; Hele, Timothy J. H.; Ananth, Nandini

2017-12-01

We investigate the mechanisms of condensed phase proton-coupled electron transfer (PCET) using Mapping-Variable Ring Polymer Molecular Dynamics (MV-RPMD), a recently developed method that employs an ensemble of classical trajectories to simulate nonadiabatic excited state dynamics. Here, we construct a series of system-bath model Hamiltonians for the PCET, where four localized electron-proton states are coupled to a thermal bath via a single solvent mode, and we employ MV-RPMD to simulate state population dynamics. Specifically, for each model, we identify the dominant PCET mechanism, and by comparing against rate theory calculations, we verify that our simulations correctly distinguish between concerted PCET, where the electron and proton transfer together, and sequential PCET, where either the electron or the proton transfers first. This work represents a first application of MV-RPMD to multi-level condensed phase systems; we introduce a modified MV-RPMD expression that is derived using a symmetric rather than asymmetric Trotter discretization scheme and an initialization protocol that uses a recently derived population estimator to constrain trajectories to a dividing surface. We also demonstrate that, as expected, the PCET mechanisms predicted by our simulations are robust to an arbitrary choice of the initial dividing surface.

The Role of Multiphysics Simulation in Multidisciplinary Analysis

NASA Technical Reports Server (NTRS)

Rifai, Steven M.; Ferencz, Robert M.; Wang, Wen-Ping; Spyropoulos, Evangelos T.; Lawrence, Charles; Melis, Matthew E.

1998-01-01

This article describes the applications of the Spectrum(Tm) Solver in Multidisciplinary Analysis (MDA). Spectrum, a multiphysics simulation software based on the finite element method, addresses compressible and incompressible fluid flow, structural, and thermal modeling as well as the interaction between these disciplines. Multiphysics simulation is based on a single computational framework for the modeling of multiple interacting physical phenomena. Interaction constraints are enforced in a fully-coupled manner using the augmented-Lagrangian method. Within the multiphysics framework, the finite element treatment of fluids is based on Galerkin-Least-Squares (GLS) method with discontinuity capturing operators. The arbitrary-Lagrangian-Eulerian method is utilized to account for deformable fluid domains. The finite element treatment of solids and structures is based on the Hu-Washizu variational principle. The multiphysics architecture lends itself naturally to high-performance parallel computing. Aeroelastic, propulsion, thermal management and manufacturing applications are presented.

A solar air collector with integrated latent heat thermal storage

NASA Astrophysics Data System (ADS)

Charvat, Pavel; Ostry, Milan; Mauder, Tomas; Klimes, Lubomir

2012-04-01

Simulations of the behaviour of a solar air collector with integrated latent heat thermal storage were performed. The model of the collector was created with the use of coupling between TRNSYS 17 and MATLAB. Latent heat storage (Phase Change Material - PCM) was integrated with the solar absorber. The model of the latent heat storage absorber was created in MATLAB and the model of the solar air collector itself was created in TRNSYS with the use of TYPE 56. The model of the latent heat storage absorber allows specification of the PCM properties as well as other parameters. The simulated air collector was the front and back pass collector with the absorber in the middle of the air cavity. Two variants were considered for comparison; the light-weight absorber made of sheet metal and the heat-storage absorber with the PCM. Simulations were performed for the climatic conditions of the Czech Republic (using TMY weather data).

Reduced-Order Aerothermoelastic Analysis of Hypersonic Vehicle Structures

NASA Astrophysics Data System (ADS)

Falkiewicz, Nathan J.

Design and simulation of hypersonic vehicles require consideration of a variety of disciplines due to the highly coupled nature of the flight regime. In order to capture all of the potential effects on vehicle dynamics, one must consider the aerodynamics, aerodynamic heating, heat transfer, and structural dynamics as well as the interactions between these disciplines. The problem is further complicated by the large computational expense involved in capturing all of these effects and their interactions in a full-order sense. While high-fidelity modeling techniques exist for each of these disciplines, the use of such techniques is computationally infeasible in a vehicle design and control system simulation setting for such a highly coupled problem. Early in the design stage, many iterations of analyses may need to be carried out as the vehicle design matures, thus requiring quick analysis turnaround time. Additionally, the number of states used in the analyses must be small enough to allow for efficient control simulation and design. As a result, alternatives to full-order models must be considered. This dissertation presents a fully coupled, reduced-order aerothermoelastic framework for the modeling and analysis of hypersonic vehicle structures. The reduced-order transient thermal solution is a modal solution based on the proper orthogonal decomposition. The reduced-order structural dynamic model is based on projection of the equations of motion onto a Ritz modal subspace that is identified a priori. The reduced-order models are assembled into a time-domain aerothermoelastic simulation framework which uses a partitioned time-marching scheme to account for the disparate time scales of the associated physics. The aerothermoelastic modeling framework is outlined and the formulations associated with the unsteady aerodynamics, aerodynamic heating, transient thermal, and structural dynamics are outlined. Results demonstrate the accuracy of the reduced-order transient thermal and structural dynamic models under variation in boundary conditions and flight conditions. The framework is applied to representative hypersonic vehicle control surface structures and a variety of studies are conducted to assess the impact of aerothermoelastic effects on hypersonic vehicle dynamics. The results presented in this dissertation demonstrate the ability of the proposed framework to perform efficient aerothermoelastic analysis.

High-Fidelity Coupled Monte-Carlo/Thermal-Hydraulics Calculations

NASA Astrophysics Data System (ADS)

Ivanov, Aleksandar; Sanchez, Victor; Ivanov, Kostadin

2014-06-01

Monte Carlo methods have been used as reference reactor physics calculation tools worldwide. The advance in computer technology allows the calculation of detailed flux distributions in both space and energy. In most of the cases however, those calculations are done under the assumption of homogeneous material density and temperature distributions. The aim of this work is to develop a consistent methodology for providing realistic three-dimensional thermal-hydraulic distributions by coupling the in-house developed sub-channel code SUBCHANFLOW with the standard Monte-Carlo transport code MCNP. In addition to the innovative technique of on-the fly material definition, a flux-based weight-window technique has been introduced to improve both the magnitude and the distribution of the relative errors. Finally, a coupled code system for the simulation of steady-state reactor physics problems has been developed. Besides the problem of effective feedback data interchange between the codes, the treatment of temperature dependence of the continuous energy nuclear data has been investigated.

Coupling of three-dimensional field and human thermoregulatory models in a crowded enclosure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xue, H.; Kang, Z.J.; Bong, T.Y.

1999-11-12

Health, comfort, and energy conservation are important factors to consider in the design of a building and its HVAC systems. Advanced tools are required to evaluate parameters regarding airflow, temperature, and humidity ratio in buildings, with the end results being better indoor air quality and thermal environment as well as increased confidence in the performance of buildings. A numerical model coupling the three-dimensional field and human thermoregulatory models is proposed and developed. A high-Re {kappa}-{epsilon} turbulence model is used for the field simulation. A modified 25-mode model of human thermoregulation is adopted to predict human thermal response in physiological parameters,more » such as body temperature and body heat loss. Distributions of air velocity, temperature, and moisture content are demonstrated in a crowded enclosure with mechanical ventilation under two ventilation rates. The results are analyzed and discussed. The coupling model is useful in assisting and verifying ventilation and air-conditioning system designs.« less

(Invited) Comprehensive Assessment of Oxide Memristors As Post-CMOS Memory and Logic Devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, X.; Mamaluy, D.; Cyr, E. C.

As CMOS technology approaches the end of its scaling, oxide-based memristors have become one of the leading candidates for post-CMOS memory and logic devices. In orderTo facilitate the understanding of physical switching mechanisms and accelerate experimental development of memristors, we have developed a three-dimensional fully-coupled electrical and thermal transport model, which captures all the important processes that drive memristive switching and is applicable for simulating a wide range of memristors. Moreover, the model is applied to simulate the RESET and SET switching in a 3D filamentary TaOx memristor. Extensive simulations show that the switching dynamics of the bipolar device ismore » determined by thermally-activated field-dominant processes: with Joule heating, the raised temperature enables the movement of oxygen vacancies, and the field drift dominates the overall motion of vacancies. Simulated current-voltage hysteresis and device resistance profiles as a function of time and voltage during RESET and SET switching show good agreement with experimental measurement.« less

(Invited) Comprehensive Assessment of Oxide Memristors As Post-CMOS Memory and Logic Devices

DOE PAGES

Gao, X.; Mamaluy, D.; Cyr, E. C.; ...

2016-05-10

As CMOS technology approaches the end of its scaling, oxide-based memristors have become one of the leading candidates for post-CMOS memory and logic devices. In orderTo facilitate the understanding of physical switching mechanisms and accelerate experimental development of memristors, we have developed a three-dimensional fully-coupled electrical and thermal transport model, which captures all the important processes that drive memristive switching and is applicable for simulating a wide range of memristors. Moreover, the model is applied to simulate the RESET and SET switching in a 3D filamentary TaOx memristor. Extensive simulations show that the switching dynamics of the bipolar device ismore » determined by thermally-activated field-dominant processes: with Joule heating, the raised temperature enables the movement of oxygen vacancies, and the field drift dominates the overall motion of vacancies. Simulated current-voltage hysteresis and device resistance profiles as a function of time and voltage during RESET and SET switching show good agreement with experimental measurement.« less

Multidisciplinary tailoring of hot composite structures

NASA Technical Reports Server (NTRS)

Singhal, Surendra N.; Chamis, Christos C.

1993-01-01

A computational simulation procedure is described for multidisciplinary analysis and tailoring of layered multi-material hot composite engine structural components subjected to simultaneous multiple discipline-specific thermal, structural, vibration, and acoustic loads. The effect of aggressive environments is also simulated. The simulation is based on a three-dimensional finite element analysis technique in conjunction with structural mechanics codes, thermal/acoustic analysis methods, and tailoring procedures. The integrated multidisciplinary simulation procedure is general-purpose including the coupled effects of nonlinearities in structure geometry, material, loading, and environmental complexities. The composite material behavior is assessed at all composite scales, i.e., laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization hygro-thermo-mechanical model. Sample tailoring cases exhibiting nonlinear material/loading/environmental behavior of aircraft engine fan blades, are presented. The various multidisciplinary loads lead to different tailored designs, even those competing with each other, as in the case of minimum material cost versus minimum structure weight and in the case of minimum vibration frequency versus minimum acoustic noise.

Effects of Material Degradation on the Structural Integrity of Composite Materials: Experimental Investigation and Modeling of High Temperature Degradation Mechanisms

NASA Technical Reports Server (NTRS)

Cunningham, Ronan A.; McManus, Hugh L.

1996-01-01

It has previously been demonstrated that simple coupled reaction-diffusion models can approximate the aging behavior of PMR-15 resin subjected to different oxidative environments. Based on empirically observed phenomena, a model coupling chemical reactions, both thermal and oxidative, with diffusion of oxygen into the material bulk should allow simulation of the aging process. Through preliminary modeling techniques such as this it has become apparent that accurate analytical models cannot be created until the phenomena which cause the aging of these materials are quantified. An experimental program is currently underway to quantify all of the reaction/diffusion related mechanisms involved. The following contains a summary of the experimental data which has been collected through thermogravimetric analyses of neat PMR-15 resin, along with analytical predictions from models based on the empirical data. Thermogravimetric analyses were carried out in a number of different environments - nitrogen, air and oxygen. The nitrogen provides data for the purely thermal degradation mechanisms while those in air provide data for the coupled oxidative-thermal process. The intent here is to effectively subtract the nitrogen atmosphere data (assumed to represent only thermal reactions) from the air and oxygen atmosphere data to back-figure the purely oxidative reactions. Once purely oxidative (concentration dependent) reactions have been quantified it should then be possible to quantify the diffusion of oxygen into the material bulk.

Intrinsic autocorrelation time of picoseconds for thermal noise in water.

PubMed

Zhu, Zhi; Sheng, Nan; Wan, Rongzheng; Fang, Haiping

2014-10-02

Whether thermal noise is colored or white is of fundamental importance. In conventional theory, thermal noise is usually treated as white noise so that there are no directional transportations in the asymmetrical systems without external inputs, since only the colored fluctuations with appropriate autocorrelation time length can lead to directional transportations in the asymmetrical systems. Here, on the basis of molecular dynamics simulations, we show that the autocorrelation time length of thermal noise in water is ~10 ps at room temperature, which indicates that thermal noise is not white in the molecular scale while thermal noise can be reasonably assumed as white in macro- and meso-scale systems. The autocorrelation time length of thermal noise is intrinsic, since the value is almost unchanged for different temperature coupling methods. Interestingly, the autocorrelation time of thermal noise is correlated with the lifetime of hydrogen bonds, suggesting that the finite autocorrelation time length of thermal noise mainly comes from the finite lifetime of the interactions between neighboring water molecules.

Visual Computing Environment

NASA Technical Reports Server (NTRS)

Lawrence, Charles; Putt, Charles W.

1997-01-01

The Visual Computing Environment (VCE) is a NASA Lewis Research Center project to develop a framework for intercomponent and multidisciplinary computational simulations. Many current engineering analysis codes simulate various aspects of aircraft engine operation. For example, existing computational fluid dynamics (CFD) codes can model the airflow through individual engine components such as the inlet, compressor, combustor, turbine, or nozzle. Currently, these codes are run in isolation, making intercomponent and complete system simulations very difficult to perform. In addition, management and utilization of these engineering codes for coupled component simulations is a complex, laborious task, requiring substantial experience and effort. To facilitate multicomponent aircraft engine analysis, the CFD Research Corporation (CFDRC) is developing the VCE system. This system, which is part of NASA's Numerical Propulsion Simulation System (NPSS) program, can couple various engineering disciplines, such as CFD, structural analysis, and thermal analysis. The objectives of VCE are to (1) develop a visual computing environment for controlling the execution of individual simulation codes that are running in parallel and are distributed on heterogeneous host machines in a networked environment, (2) develop numerical coupling algorithms for interchanging boundary conditions between codes with arbitrary grid matching and different levels of dimensionality, (3) provide a graphical interface for simulation setup and control, and (4) provide tools for online visualization and plotting. VCE was designed to provide a distributed, object-oriented environment. Mechanisms are provided for creating and manipulating objects, such as grids, boundary conditions, and solution data. This environment includes parallel virtual machine (PVM) for distributed processing. Users can interactively select and couple any set of codes that have been modified to run in a parallel distributed fashion on a cluster of heterogeneous workstations. A scripting facility allows users to dictate the sequence of events that make up the particular simulation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Jung-Wook; Rutqvist, Jonny; Ryu, Dongwoo

The present study is aimed at numerically examining the thermal-hydrological-mechanical (THM) processes within the rock mass surrounding a cavern used for thermal energy storage (TES). We considered a cylindrical rock cavern with a height of 50 m and a radius of 10 m storing thermal energy of 350ºC as a conceptual TES model and simulated its operation for 30 years using THM coupled numerical modeling. At first, the insulator performance was not considered for the purpose of investigating the possible coupled THM behavior of the surrounding rock mass; then, the effects of an insulator were examined for different insulator thicknesses.more » The key concerns were focused on the hydro-thermal multiphase flow and heat transport in the rock mass around the thermal storage cavern, the effect of evaporation of rock mass, thermal impact on near the ground surface and the mechanical behavior of the surrounding rock mass. It is shown that the rock temperature around the cavern rapidly increased in the early stage and, consequently, evaporation of groundwater occurred, raising the fluid pressure. However, evaporation and multiphase flow did not have a significant effect on the heat transfer and mechanical behavior in spite of the high-temperature (350ºC) heat source. The simulations showed that large-scale heat flow around a cavern was expected to be conductiondominated for a reasonable value of rock mass permeability. Thermal expansion as a result of the heating of the rock mass from the storage cavern led to a ground surface uplift on the order of a few centimeters and to the development of tensile stress above the storage cavern, increasing the potentials for shear and tensile failures after a few years of the operation. Finally, the analysis showed that high tangential stress in proximity of the storage cavern can some shear failure and local damage, although large rock wall failure could likely be controlled with appropriate insulators and reinforcement.« less

Coupled heat transfer model and experiment study of semitransparent barrier materials in aerothermal environment

NASA Astrophysics Data System (ADS)

Wang, Da-Lin; Qi, Hong

Semi-transparent materials (such as IR optical windows) are widely used for heat protection or transfer, temperature and image measurement, and safety in energy , space, military, and information technology applications. They are used, for instance, ceramic coatings for thermal barriers of spacecrafts or gas turbine blades, and thermal image observation under extreme or some dangerous environments. In this paper, the coupled conduction and radiation heat transfer model is established to describe temperature distribution of semitransparent thermal barrier medium within the aerothermal environment. In order to investigate this numerical model, one semi-transparent sample with black coating was considered, and photothermal properties were measured. At last, Finite Volume Method (FVM) was used to solve the coupled model, and the temperature responses from the sample surfaces were obtained. In addition, experiment study was also taken into account. In the present experiment, aerodynamic heat flux was simulated by one electrical heater, and two experiment cases were designed in terms of the duration of aerodynamic heating. One case is that the heater irradiates one surface of the sample continually until the other surface temperature up to constant, and the other case is that the heater works only 130 s. The surface temperature responses of these two cases were recorded. Finally, FVM model of the coupling conduction-radiation heat transfer was validated based on the experiment study with relative error less than 5%.

Simulation Analysis of Fluid-Structure Interaction of High Velocity Environment Influence on Aircraft Wing Materials under Different Mach Numbers.

PubMed

Zhang, Lijun; Sun, Changyan

2018-04-18

Aircraft service process is in a state of the composite load of pressure and temperature for a long period of time, which inevitably affects the inherent characteristics of some components in aircraft accordingly. The flow field of aircraft wing materials under different Mach numbers is simulated by Fluent in order to extract pressure and temperature on the wing in this paper. To determine the effect of coupling stress on the wing’s material and structural properties, the fluid-structure interaction (FSI) method is used in ANSYS-Workbench to calculate the stress that is caused by pressure and temperature. Simulation analysis results show that with the increase of Mach number, the pressure and temperature on the wing’s surface both increase exponentially and thermal stress that is caused by temperature will be the main factor in the coupled stress. When compared with three kinds of materials, titanium alloy, aluminum alloy, and Haynes alloy, carbon fiber composite material has better performance in service at high speed, and natural frequency under coupling pre-stressing will get smaller.

Simulation Analysis of Fluid-Structure Interaction of High Velocity Environment Influence on Aircraft Wing Materials under Different Mach Numbers

PubMed Central

Sun, Changyan

2018-01-01

Aircraft service process is in a state of the composite load of pressure and temperature for a long period of time, which inevitably affects the inherent characteristics of some components in aircraft accordingly. The flow field of aircraft wing materials under different Mach numbers is simulated by Fluent in order to extract pressure and temperature on the wing in this paper. To determine the effect of coupling stress on the wing’s material and structural properties, the fluid-structure interaction (FSI) method is used in ANSYS-Workbench to calculate the stress that is caused by pressure and temperature. Simulation analysis results show that with the increase of Mach number, the pressure and temperature on the wing’s surface both increase exponentially and thermal stress that is caused by temperature will be the main factor in the coupled stress. When compared with three kinds of materials, titanium alloy, aluminum alloy, and Haynes alloy, carbon fiber composite material has better performance in service at high speed, and natural frequency under coupling pre-stressing will get smaller. PMID:29670023

Understanding Accretion Disks through Three Dimensional Radiation MHD Simulations

NASA Astrophysics Data System (ADS)

Jiang, Yan-Fei

I study the structures and thermal properties of black hole accretion disks in the radiation pressure dominated regime. Angular momentum transfer in the disk is provided by the turbulence generated by the magneto-rotational instability (MRI), which is calculated self-consistently with a recently developed 3D radiation magneto-hydrodynamics (MHD) code based on Athena. This code, developed by my collaborators and myself, couples both the radiation momentum and energy source terms with the ideal MHD equations by modifying the standard Godunov method to handle the stiff radiation source terms. We solve the two momentum equations of the radiation transfer equations with a variable Eddington tensor (VET), which is calculated with a time independent short characteristic module. This code is well tested and accurate in both optically thin and optically thick regimes. It is also accurate for both radiation pressure and gas pressure dominated flows. With this code, I find that when photon viscosity becomes significant, the ratio between Maxwell stress and Reynolds stress from the MRI turbulence can increase significantly with radiation pressure. The thermal instability of the radiation pressure dominated disk is then studied with vertically stratified shearing box simulations. Unlike the previous results claiming that the radiation pressure dominated disk with MRI turbulence can reach a steady state without showing any unstable behavior, I find that the radiation pressure dominated disks always either collapse or expand until we have to stop the simulations. During the thermal runaway, the heating and cooling rates from the simulations are consistent with the general criterion of thermal instability. However, details of the thermal runaway are different from the predictions of the standard alpha disk model, as many assumptions in that model are not satisfied in the simulations. We also identify the key reasons why previous simulations do not find the instability. The thermal instability has many important implications for understanding the observations of both X-ray binaries and Active Galactic Nuclei (AGNs). However, direct comparisons between observations and the simulations require global radiation MHD simulations, which will be the main focus of my future work.

Particle Methods for Simulating Atomic Radiation in Hypersonic Reentry Flows

NASA Astrophysics Data System (ADS)

Ozawa, T.; Wang, A.; Levin, D. A.; Modest, M.

2008-12-01

With a fast reentry speed, the Stardust vehicle generates a strong shock region ahead of its blunt body with a temperature above 60,000 K. These extreme Mach number flows are sufficiently energetic to initiate gas ionization processes and thermal and chemical ablation processes. The nonequilibrium gaseous radiation from the shock layer is so strong that it affects the flowfield macroparameter distributions. In this work, we present the first loosely coupled direct simulation Monte Carlo (DSMC) simulations with the particle-based photon Monte Carlo (p-PMC) method to simulate high-Mach number reentry flows in the near-continuum flow regime. To efficiently capture the highly nonequilibrium effects, emission and absorption cross section databases using the Nonequilibrium Air Radiation (NEQAIR) were generated, and atomic nitrogen and oxygen radiative transport was calculated by the p-PMC method. The radiation energy change calculated by the p-PMC method has been coupled in the DSMC calculations, and the atomic radiation was found to modify the flow field and heat flux at the wall.

First-principles investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications

DOE PAGES

Hu, S. X.; Collins, Lee A.; Goncharov, V. N.; ...

2016-04-14

Using quantum molecular-dynamics (QMD) methods based on the density functional theory, we have performed first-principles investigations on the ionization and thermal conductivity of polystyrene (CH) over a wide range of plasma conditions (ρ = 0.5 to 100 g/cm 3 and T = 15,625 to 500,000 K). The ionization data from orbital-free molecular-dynamics calculations have been fitted with a “Saha-type” model as a function of the CH plasma density and temperature, which exhibits the correct behaviors of continuum lowering and pressure ionization. The thermal conductivities (κ QMD) of CH, derived directly from the Kohn–Sham molecular-dynamics calculations, are then analytically fitted withmore » a generalized Coulomb logarithm [(lnΛ) QMD] over a wide range of plasma conditions. When compared with the traditional ionization and thermal conductivity models used in radiation–hydrodynamics codes for inertial confinement fusion simulations, the QMD results show a large difference in the low-temperature regime in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Furthermore, hydrodynamic simulations of cryogenic deuterium–tritium targets with CH ablators on OMEGA and the National Ignition Facility using the QMD-derived ionization and thermal conductivity of CH have predicted –20% variation in target performance in terms of hot-spot pressure and neutron yield (gain) with respect to traditional model simulations.« less

Simulating Physiological Response with a Passive Sensor Manikin and an Adaptive Thermal Manikin to Predict Thermal Sensation and Comfort

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rugh, John P; Chaney, Larry; Hepokoski, Mark

2015-04-14

Reliable assessment of occupant thermal comfort can be difficult to obtain within automotive environments, especially under transient and asymmetric heating and cooling scenarios. Evaluation of HVAC system performance in terms of comfort commonly requires human subject testing, which may involve multiple repetitions, as well as multiple test subjects. Instrumentation (typically comprised of an array of temperature sensors) is usually only sparsely applied across the human body, significantly reducing the spatial resolution of available test data. Further, since comfort is highly subjective in nature, a single test protocol can yield a wide variation in results which can only be overcome bymore » increasing the number of test replications and subjects. In light of these difficulties, various types of manikins are finding use in automotive testing scenarios. These manikins can act as human surrogates from which local skin and core temperatures can be obtained, which are necessary for accurately predicting local and whole body thermal sensation and comfort using a physiology-based comfort model (e.g., the Berkeley Comfort Model). This paper evaluates two different types of manikins, i) an adaptive sweating thermal manikin, which is coupled with a human thermoregulation model, running in real-time, to obtain realistic skin temperatures; and, ii) a passive sensor manikin, which is used to measure boundary conditions as they would act on a human, from which skin and core temperatures can be predicted using a thermophysiological model. The simulated physiological responses and comfort obtained from both of these manikin-model coupling schemes are compared to those of a human subject within a vehicle cabin compartment transient heat-up scenario.« less

Coupled THMC models for bentonite in clay repository for nuclear waste

NASA Astrophysics Data System (ADS)

Zheng, L.; Rutqvist, J.; Birkholzer, J. T.; Li, Y.; Anguiano, H. H.

2015-12-01

Illitization, the transformation of smectite to illite, could compromise some beneficiary features of an engineered barrier system (EBS) that is composed primarily of bentonite and clay host rock. It is a major determining factor to establish the maximum design temperature of the repositories because it is believed that illitization could be greatly enhanced at temperatures higher than 100 oC and thus significantly lower the sorption and swelling capacity of bentonite and clay rock. However, existing experimental and modeling studies on the occurrence of illitization and related performance impacts are not conclusive, in part because the relevant couplings between the thermal, hydrological, chemical, and mechanical (THMC) processes have not been fully represented in the models. Here we present fully coupled THMC simulations of a generic nuclear waste repository in a clay formation with bentonite-backfilled EBS. Two scenarios were simulated for comparison: a case in which the temperature in the bentonite near the waste canister can reach about 200 oC and a case in which the temperature in the bentonite near the waste canister peaks at about 100 oC. The model simulations demonstrate that illitization is in general more significant at higher temperatures. We also compared the chemical changes and the resulting swelling stress change for two types of bentonite: Kunigel-VI and FEBEX bentonite. Higher temperatures also lead to much higher stress in the near field, caused by thermal pressurization and vapor pressure buildup in the EBS bentonite and clay host rock. Chemical changes lead to a reduction in swelling stress, which is more pronounced for Kunigel-VI bentonite than for FEBEX bentonite.

Transfer coefficients in ultracold strongly coupled plasma

NASA Astrophysics Data System (ADS)

Bobrov, A. A.; Vorob'ev, V. S.; Zelener, B. V.

2018-03-01

We use both analytical and molecular dynamic methods for electron transfer coefficients in an ultracold plasma when its temperature is small and the coupling parameter characterizing the interaction of electrons and ions exceeds unity. For these conditions, we use the approach of nearest neighbor to determine the average electron (ion) diffusion coefficient and to calculate other electron transfer coefficients (viscosity and electrical and thermal conductivities). Molecular dynamics simulations produce electronic and ionic diffusion coefficients, confirming the reliability of these results. The results compare favorably with experimental and numerical data from earlier studies.

Modeling the Interaction of Radiation Between Vegetation and the Seasonal Snowcover

NASA Astrophysics Data System (ADS)

Tribbeck, M. J.; Gurney, R. J.; Morris, E. M.; Pearson, D.

2001-12-01

Prediction of meltwater runoff is crucial to communities where the seasonal snowpack is the major water supply. Water is itself a vital resource and it carries nutrients both in solution and in suspension. Simulation of snowpack depletion at a point in open areas has previously been shown to produce accurate results using physically based models such as SNTHERM. However, the radiation balance is more complex under a forest canopy as radiation is scattered and absorbed by canopy elements. This can alter the timing and magnitude of snowpack runoff substantially. The interaction of radiation between a forest canopy and its underlying snowcover is modeled by the coupling of a physically based snow model and an optical and thermal radiation canopy model. The snow model, which is based on SNTHERM (Jordan, 1991), is a discrete, multi-layer, one-dimensional mass and energy budget model for snow and is formulated with an adaptive grid system that compresses with the compacting snowpack and allows retention of snowpack stratigraphy. The vegetation canopy model approximates the canopy as a series of discrete, randomly orientated elements that scatter and absorb optical and thermal radiation. Multiple scattering of radiation between canopy and snow surface is modeled to conserve energy. The coupled model SNOWCAN differs from other vegetation-snow models such as GORT or SNOBAL as it models the albedo feedback mechanism. This is important as the albedo both affects and is affected by (through grain growth) the radiation balance. SNOWCAN is driven by standard atmospheric variables (including incident solar and thermal radiation) measured outside of the canopy and simulates snowpack properties such as temperature and density profiles as well as the sub-canopy radiation balance. The coupled snow and vegetation energy budget model was used to simulate snow depth at an old jack pine site during the 1994 BOREAS campaign. Measured and simulated snow depth showed good agreement throughout the accumulation and ablation periods, yielding an r2 correlation coefficient of 0.94. The snowpack development was also simulated at a point site within a fir stand in Reynolds Creek Experimental Watershed, Idaho, USA for the water year 2000-2001. A sensitivity analysis was carried out and comparisons were made with field observations of snowpack properties and sub-canopy radiation data for model validation.

Thermal protection system gap analysis using a loosely coupled fluid-structural thermal numerical method

NASA Astrophysics Data System (ADS)

Huang, Jie; Li, Piao; Yao, Weixing

2018-05-01

A loosely coupled fluid-structural thermal numerical method is introduced for the thermal protection system (TPS) gap thermal control analysis in this paper. The aerodynamic heating and structural thermal are analyzed by computational fluid dynamics (CFD) and numerical heat transfer (NHT) methods respectively. An interpolation algorithm based on the control surface is adopted for the data exchanges on the coupled surface. In order to verify the analysis precision of the loosely coupled method, a circular tube example was analyzed, and the wall temperature agrees well with the test result. TPS gap thermal control performance was studied by the loosely coupled method successfully. The gap heat flux is mainly distributed in the small region at the top of the gap which is the high temperature region. Besides, TPS gap temperature and the power of the active cooling system (CCS) calculated by the traditional uncoupled method are higher than that calculated by the coupled method obviously. The reason is that the uncoupled method doesn't consider the coupled effect between the aerodynamic heating and structural thermal, however the coupled method considers it, so TPS gap thermal control performance can be analyzed more accurately by the coupled method.

Dissipative dynamics at conical intersections: simulations with the hierarchy equations of motion method.

PubMed

Chen, Lipeng; Gelin, Maxim F; Chernyak, Vladimir Y; Domcke, Wolfgang; Zhao, Yang

2016-12-16

The effect of a dissipative environment on the ultrafast nonadiabatic dynamics at conical intersections is analyzed for a two-state two-mode model chosen to represent the S 2 (ππ*)-S 1 (nπ*) conical intersection in pyrazine (the system) which is bilinearly coupled to infinitely many harmonic oscillators in thermal equilibrium (the bath). The system-bath coupling is modeled by the Drude spectral function. The equation of motion for the reduced density matrix of the system is solved numerically exactly with the hierarchy equation of motion method using graphics-processor-unit (GPU) technology. The simulations are valid for arbitrary strength of the system-bath coupling and arbitrary bath memory relaxation time. The present computational studies overcome the limitations of weak system-bath coupling and short memory relaxation time inherent in previous simulations based on multi-level Redfield theory [A. Kühl and W. Domcke, J. Chem. Phys. 2002, 116, 263]. Time evolutions of electronic state populations and time-dependent reduced probability densities of the coupling and tuning modes of the conical intersection have been obtained. It is found that even weak coupling to the bath effectively suppresses the irregular fluctuations of the electronic populations of the isolated two-mode conical intersection. While the population of the upper adiabatic electronic state (S 2 ) is very efficiently quenched by the system-bath coupling, the population of the diabatic ππ* electronic state exhibits long-lived oscillations driven by coherent motion of the tuning mode. Counterintuitively, the coupling to the bath can lead to an enhanced lifetime of the coherence of the tuning mode as a result of effective damping of the highly excited coupling mode, which reduces the strong mode-mode coupling inherent to the conical intersection. The present results extend previous studies of the dissipative dynamics at conical intersections to the nonperturbative regime of system-bath coupling. They pave the way for future first-principles simulations of femtosecond time-resolved four-wave-mixing spectra of chromophores in condensed phases which are nonperturbative in the system dynamics, the system-bath coupling as well as the field-matter coupling.

Numerical simulation of cryogenic cavitating flow by an extended transport-based cavitation model with thermal effects

NASA Astrophysics Data System (ADS)

Zhang, Shaofeng; Li, Xiaojun; Zhu, Zuchao

2018-06-01

Thermodynamic effects on cryogenic cavitating flow is important to the accuracy of numerical simulations mainly because cryogenic fluids are thermo-sensitive, and the vapour saturation pressure is strongly dependent on the local temperature. The present study analyses the thermal cavitating flows in liquid nitrogen around a 2D hydrofoil. Thermal effects were considered using the RNG k-ε turbulence model with a modified turbulent eddy viscosity and the mass transfer homogenous cavitation model coupled with energy equation. In the cavitation model process, the saturated vapour pressure is modified based on the Clausius-Clapron equation. The convection heat transfer approach is also considered to extend the Zwart-Gerber-Belamri model. The predicted pressure and temperature inside the cavity under cryogenic conditions show that the modified Zwart-Gerber-Belamri model is in agreement with the experimental data of Hord et al. in NASA, especially in the thermal field. The thermal effect significantly affects the cavitation dynamics during phase-change process, which could delay or suppress the occurrence and development of cavitation behaviour. Based on the modified Zwart-Gerber-Belamri model proposed in this paper, better prediction of the cryogenic cavitation is attainable.

Effect of van der Waals forces on thermal conductance at the interface of a single-wall carbon nanotube array and silicon

NASA Astrophysics Data System (ADS)

Feng, Ya; Zhu, Jie; Tang, Dawei

2014-12-01

Molecular dynamics simulations are performed to evaluate the effect of van der Waals forces among single-wall carbon nanotubes (SWNTs) on the interfacial thermal conductance between a SWNT array and silicon substrate. First, samples of SWNTs vertically aligned on silicon substrate are simulated, where both the number and arrangement of SWNTs are varied. Results reveal that the interfacial thermal conductance of a SWNT array/Si with van der Waals forces present is higher than when they are absent. To better understand how van der Waals forces affect heat transfer through the interface between SWNTs and silicon, further constructs of one SWNT surrounded by different numbers of other ones are studied, and the results show that the interfacial thermal conductance of the central SWNT increases with increasing van der Waals forces. Through analysis of the covalent bonds and vibrational density of states at the interface, we find that heat transfer across the interface is enhanced with a greater number of chemical bonds and that improved vibrational coupling of the two sides of the interface results in higher interfacial thermal conductance. Van der Waals forces stimulate heat transfer at the interface.

Thermo-electrochemical analysis of lithium ion batteries for space applications using Thermal Desktop

NASA Astrophysics Data System (ADS)

Walker, W.; Ardebili, H.

2014-12-01

Lithium-ion batteries (LIBs) are replacing the Nickel-Hydrogen batteries used on the International Space Station (ISS). Knowing that LIB efficiency and survivability are greatly influenced by temperature, this study focuses on the thermo-electrochemical analysis of LIBs in space orbit. Current finite element modeling software allows for advanced simulation of the thermo-electrochemical processes; however the heat transfer simulation capabilities of said software suites do not allow for the extreme complexities of orbital-space environments like those experienced by the ISS. In this study, we have coupled the existing thermo-electrochemical models representing heat generation in LIBs during discharge cycles with specialized orbital-thermal software, Thermal Desktop (TD). Our model's parameters were obtained from a previous thermo-electrochemical model of a 185 Amp-Hour (Ah) LIB with 1-3 C (C) discharge cycles for both forced and natural convection environments at 300 K. Our TD model successfully simulates the temperature vs. depth-of-discharge (DOD) profiles and temperature ranges for all discharge and convection variations with minimal deviation through the programming of FORTRAN logic representing each variable as a function of relationship to DOD. Multiple parametrics were considered in a second and third set of cases whose results display vital data in advancing our understanding of accurate thermal modeling of LIBs.

Validation of a Three-Dimensional Ablation and Thermal Response Simulation Code

NASA Technical Reports Server (NTRS)

Chen, Yih-Kanq; Milos, Frank S.; Gokcen, Tahir

2010-01-01

The 3dFIAT code simulates pyrolysis, ablation, and shape change of thermal protection materials and systems in three dimensions. The governing equations, which include energy conservation, a three-component decomposition model, and a surface energy balance, are solved with a moving grid system to simulate the shape change due to surface recession. This work is the first part of a code validation study for new capabilities that were added to 3dFIAT. These expanded capabilities include a multi-block moving grid system and an orthotropic thermal conductivity model. This paper focuses on conditions with minimal shape change in which the fluid/solid coupling is not necessary. Two groups of test cases of 3dFIAT analyses of Phenolic Impregnated Carbon Ablator in an arc-jet are presented. In the first group, axisymmetric iso-q shaped models are studied to check the accuracy of three-dimensional multi-block grid system. In the second group, similar models with various through-the-thickness conductivity directions are examined. In this group, the material thermal response is three-dimensional, because of the carbon fiber orientation. Predictions from 3dFIAT are presented and compared with arcjet test data. The 3dFIAT predictions agree very well with thermocouple data for both groups of test cases.

Heat And Mass Transfer Analysis of a Film Evaporative MEMS Tunable Array

NASA Astrophysics Data System (ADS)

O'Neill, William J.

This thesis details the heat and mass transfer analysis of a MEMs microthruster designed to provide propulsive, attitude control and thermal control capabilities to a cubesat. This thruster is designed to function by retaining water as a propellant and applying resistive heating in order to increase the temperature of the liquid-vapor interface to either increase evaporation or induce boiling to regulate mass flow. The resulting vapor is then expanded out of a diverging nozzle to produce thrust. Because of the low operating pressure and small length scale of this thruster, unique forms of mass transfer analysis such as non-continuum gas flow were modeled using the Direct Simulation Monte Carlo method. Continuum fluid/thermal simulations using COMSOL Multiphysics have been applied to model heat and mass transfer in the solid and liquid portions of the thruster. The two methods were coupled through variables at the liquid-vapor interface and solved iteratively by the bisection method. The simulations presented in this thesis confirm the thermal valving concept. It is shown that when power is applied to the thruster there is a nearly linear increase in mass flow and thrust. Thus, mass flow can be regulated by regulating the applied power. This concept can also be used as a thermal control device for spacecraft.

Market assessment overview

NASA Technical Reports Server (NTRS)

Habib-Agahi, H.

1981-01-01

Market assessment, refined with analysis disaggregated from a national level to the regional level and to specific market applications, resulted in more accurate and detailed market estimates. The development of an integrated set of computer simulations, coupled with refined market data, allowed progress in the ability to evaluate the worth of solar thermal parabolic dish systems. In-depth analyses of both electric and thermal market applications of these systems are described. The following market assessment studies were undertaken: (1) regional analysis of the near term market for parabolic dish systems; (2) potential early market estimate for electric applications; (3) potential early market estimate for industrial process heat/cogeneration applications; and (4) selection of thermal and electric application case studies for fiscal year 1981.

Multiscale modeling and characterization for performance and safety of lithium-ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pannala, Sreekanth; Turner, John A.; Allu, Srikanth

Lithium-ion batteries are highly complex electrochemical systems whose performance and safety are governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. In this paper we describe a new, open source computational framework for Lithium-ion battery simulations that is designed to support a variety of model types and formulations. This framework has been used to create three-dimensional cell and battery pack models that explicitly simulate all the battery components (current collectors, electrodes, and separator). The models are used to predict battery performance under normal operations and to study thermal and mechanical safety aspects under adverse conditions. The modelmore » development and validation are supported by experimental methods such as IR-imaging, X-ray tomography and micro-Raman mapping.« less

Multiscale modeling and characterization for performance and safety of lithium-ion batteries

DOE PAGES

Pannala, Sreekanth; Turner, John A.; Allu, Srikanth; ...

2015-08-19

Lithium-ion batteries are highly complex electrochemical systems whose performance and safety are governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. In this paper we describe a new, open source computational framework for Lithium-ion battery simulations that is designed to support a variety of model types and formulations. This framework has been used to create three-dimensional cell and battery pack models that explicitly simulate all the battery components (current collectors, electrodes, and separator). The models are used to predict battery performance under normal operations and to study thermal and mechanical safety aspects under adverse conditions. The modelmore » development and validation are supported by experimental methods such as IR-imaging, X-ray tomography and micro-Raman mapping.« less

Waste IPSC : Thermal-Hydrologic-Chemical-Mechanical (THCM) modeling and simulation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freeze, Geoffrey A.; Wang, Yifeng; Arguello, Jose Guadalupe, Jr.

2010-10-01

Waste IPSC Objective is to develop an integrated suite of high performance computing capabilities to simulate radionuclide movement through the engineered components and geosphere of a radioactive waste storage or disposal system: (1) with robust thermal-hydrologic-chemical-mechanical (THCM) coupling; (2) for a range of disposal system alternatives (concepts, waste form types, engineered designs, geologic settings); (3) for long time scales and associated large uncertainties; (4) at multiple model fidelities (sub-continuum, high-fidelity continuum, PA); and (5) in accordance with V&V and software quality requirements. THCM Modeling collaborates with: (1) Other Waste IPSC activities: Sub-Continuum Processes (and FMM), Frameworks and Infrastructure (and VU,more » ECT, and CT); (2) Waste Form Campaign; (3) Used Fuel Disposition (UFD) Campaign; and (4) ASCEM.« less

High-resolution coupled physics solvers for analysing fine-scale nuclear reactor design problems.

PubMed

Mahadevan, Vijay S; Merzari, Elia; Tautges, Timothy; Jain, Rajeev; Obabko, Aleksandr; Smith, Michael; Fischer, Paul

2014-08-06

An integrated multi-physics simulation capability for the design and analysis of current and future nuclear reactor models is being investigated, to tightly couple neutron transport and thermal-hydraulics physics under the SHARP framework. Over several years, high-fidelity, validated mono-physics solvers with proven scalability on petascale architectures have been developed independently. Based on a unified component-based architecture, these existing codes can be coupled with a mesh-data backplane and a flexible coupling-strategy-based driver suite to produce a viable tool for analysts. The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The coupling methodology and software interfaces of the framework are presented, along with verification studies on two representative fast sodium-cooled reactor demonstration problems to prove the usability of the SHARP framework.

High-resolution coupled physics solvers for analysing fine-scale nuclear reactor design problems

PubMed Central

Mahadevan, Vijay S.; Merzari, Elia; Tautges, Timothy; Jain, Rajeev; Obabko, Aleksandr; Smith, Michael; Fischer, Paul

2014-01-01

An integrated multi-physics simulation capability for the design and analysis of current and future nuclear reactor models is being investigated, to tightly couple neutron transport and thermal-hydraulics physics under the SHARP framework. Over several years, high-fidelity, validated mono-physics solvers with proven scalability on petascale architectures have been developed independently. Based on a unified component-based architecture, these existing codes can be coupled with a mesh-data backplane and a flexible coupling-strategy-based driver suite to produce a viable tool for analysts. The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The coupling methodology and software interfaces of the framework are presented, along with verification studies on two representative fast sodium-cooled reactor demonstration problems to prove the usability of the SHARP framework. PMID:24982250

Numerical simulation of multiple-physical fields coupling for thermal anomalies before earthquakes: A case study of the 2008 Wenchuan Ms8.0 earthquake in southwest China

NASA Astrophysics Data System (ADS)

Deng, Z.

2017-12-01

It has become a highly focused issue that thermal anomalies appear before major earthquakes. There are various hypotheses about the mechanism of thermal anomalies. Because of lacking of enough evidences, the mechanism is still require to be further researched. Gestation and occurrence of a major earthquake is related with the interaction of multi-physical fields. The underground fluid surging out the surface is very likely to be the reason for the thermal anomaly. This study tries to answer some question, such as how the geothermal energy transfer to the surface, and how the multiple-physical fields interacted. The 2008 Wenchuan Ms8.0 earthquake, is one of the largest evens in the last decade in China mainland. Remote sensing studies indicate that distinguishable thermal anomalies occurred several days before the earthquake. The heat anomaly value is more than 3 times the average in normal time and distributes along the Longmen Shan fault zone. Based on geological and geophysical data, 2D dynamic model of coupled stress, seepage and thermal fields (HTM model) is constructed. Then using the COMSOL multi-physics filed software, this work tries to reveal the generation process and distribution patterns of thermal anomalies prior to thrust-type major earthquakes. The simulation get the results: (1)Before the micro rupture, with the increase of compression, the heat current flows to the fault in the footwall on the whole, while in the hanging wall of the fault, particularly near the ground surface, the heat flow upward. In the fault zone, heat flow upward along the fracture surface, heat flux in the fracture zone is slightly larger than the wall rock;, but the value is all very small. (2)After the occurrence of the micro fracture, the heat flow rapidly collects to the faults. In the fault zones, the heat flow accelerates up along the fracture surfaces, the heat flux increases suddenly, and the vertical heat flux reaches to the maximum. The heat flux in the 3 fracture zones is obviously larger than that in the non fracture zone. The high heat flux anomaly can continue several days to one month. The simulation results is consistent with the reality earthquake cases.

Automation of disbond detection in aircraft fuselage through thermal image processing

NASA Technical Reports Server (NTRS)

Prabhu, D. R.; Winfree, W. P.

1992-01-01

A procedure for interpreting thermal images obtained during the nondestructive evaluation of aircraft bonded joints is presented. The procedure operates on time-derivative thermal images and resulted in a disbond image with disbonds highlighted. The size of the 'black clusters' in the output disbond image is a quantitative measure of disbond size. The procedure is illustrated using simulation data as well as data obtained through experimental testing of fabricated samples and aircraft panels. Good results are obtained, and, except in pathological cases, 'false calls' in the cases studied appeared only as noise in the output disbond image which was easily filtered out. The thermal detection technique coupled with an automated image interpretation capability will be a very fast and effective method for inspecting bonded joints in an aircraft structure.

Thermal conductivity in one-dimensional nonlinear systems

NASA Astrophysics Data System (ADS)

Politi, Antonio; Giardinà, Cristian; Livi, Roberto; Vassalli, Massimo

2000-03-01

Thermal conducitivity of one-dimensional nonlinear systems typically diverges in the thermodynamic limit, whenever the momentum is conserved (i.e. in the absence of interactions with an external substrate). Evidence comes from detailed studies of Fermi-Pasta-Ulam and diatomic Toda chains. Here, we discuss the first example of a one-dimensional system obeying Fourier law : a chain of coupled rotators. Numerical estimates of the thermal conductivity obtained by simulating a chain in contact with two thermal baths at different temperatures are found to be consistent with those ones based on linear response theory. The dynamics of the Fourier modes provides direct evidence of energy diffusion. The finiteness of the conductivity is traced back to the occurrence of phase-jumps. Our conclusions are confirmed by the analysis of two variants of the rotator model.

Thermographic Imaging of Defects in Anisotropic Composites

NASA Technical Reports Server (NTRS)

Plotnikov, Y. A.; Winfree, W. P.

2000-01-01

Composite materials are of increasing interest to the aerospace industry as a result of their weight versus performance characteristics. One of the disadvantages of composites is the high cost of fabrication and post inspection with conventional ultrasonic scanning systems. The high cost of inspection is driven by the need for scanning systems which can follow large curve surfaces. Additionally, either large water tanks or water squirters are required to couple the ultrasonics into the part. Thermographic techniques offer significant advantages over conventional ultrasonics by not requiring physical coupling between the part and sensor. The thermographic system can easily inspect large curved surface without requiring a surface following scanner. However, implementation of Thermal Nondestructive Evaluations (TNDE) for flaw detection in composite materials and structures requires determining its limit. Advanced algorithms have been developed to enable locating and sizing defects in carbon fiber reinforced plastic (CFRP). Thermal Tomography is a very promising method for visualizing the size and location of defects in materials such as CFRP. However, further investigations are required to determine its capabilities for inspection of thick composites. In present work we have studied influence of the anisotropy on the reconstructed image of a defect generated by an inversion technique. The composite material is considered as homogeneous with macro properties: thermal conductivity K, specific heat c, and density rho. The simulation process involves two sequential steps: solving the three dimensional transient heat diffusion equation for a sample with a defect, then estimating the defect location and size from the surface spatial and temporal thermal distributions (inverse problem), calculated from the simulations.

An overview of TOUGH-based geomechanics models

DOE PAGES

Rutqvist, Jonny

2016-09-22

After the initial development of the first TOUGH-based geomechanics model 15 years ago based on linking TOUGH2 multiphase flow simulator to the FLAC3D geomechanics simulator, at least 15 additional TOUGH-based geomechanics models have appeared in the literature. This development has been fueled by a growing demand and interest for modeling coupled multiphase flow and geomechanical processes related to a number of geoengineering applications, such as in geologic CO 2 sequestration, enhanced geothermal systems, unconventional hydrocarbon production, and most recently, related to reservoir stimulation and injection-induced seismicity. This paper provides a short overview of these TOUGH-based geomechanics models, focusing on somemore » of the most frequently applied to a diverse set of problems associated with geomechanics and its couplings to hydraulic, thermal and chemical processes.« less

SciDAC GSEP: Gyrokinetic Simulation of Energetic Particle Turbulence and Transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Zhihong

Energetic particle (EP) confinement is a key physics issue for burning plasma experiment ITER, the crucial next step in the quest for clean and abundant energy, since ignition relies on self-heating by energetic fusion products (α-particles). Due to the strong coupling of EP with burning thermal plasmas, plasma confinement property in the ignition regime is one of the most uncertain factors when extrapolating from existing fusion devices to the ITER tokamak. EP population in current tokamaks are mostly produced by auxiliary heating such as neutral beam injection (NBI) and radio frequency (RF) heating. Remarkable progress in developing comprehensive EP simulationmore » codes and understanding basic EP physics has been made by two concurrent SciDAC EP projects GSEP funded by the Department of Energy (DOE) Office of Fusion Energy Science (OFES), which have successfully established gyrokinetic turbulence simulation as a necessary paradigm shift for studying the EP confinement in burning plasmas. Verification and validation have rapidly advanced through close collaborations between simulation, theory, and experiment. Furthermore, productive collaborations with computational scientists have enabled EP simulation codes to effectively utilize current petascale computers and emerging exascale computers. We review here key physics progress in the GSEP projects regarding verification and validation of gyrokinetic simulations, nonlinear EP physics, EP coupling with thermal plasmas, and reduced EP transport models. Advances in high performance computing through collaborations with computational scientists that enable these large scale electromagnetic simulations are also highlighted. These results have been widely disseminated in numerous peer-reviewed publications including many Phys. Rev. Lett. papers and many invited presentations at prominent fusion conferences such as the biennial International Atomic Energy Agency (IAEA) Fusion Energy Conference and the annual meeting of the American Physics Society, Division of Plasma Physics (APS-DPP).« less

Electrical switching and oscillations in vanadium dioxide

NASA Astrophysics Data System (ADS)

Pergament, Alexander; Velichko, Andrey; Belyaev, Maksim; Putrolaynen, Vadim

2018-05-01

We have studied electrical switching with S-shaped I-V characteristics in two-terminal MOM devices based on vanadium dioxide thin films. The switching effect is associated with the metal-insulator phase transition. Relaxation oscillations are observed in circuits with VO2-based switches. Dependences of the oscillator critical frequency Fmax, threshold power and voltage, as well as the time of current rise, on the switching structure size are obtained by numerical simulation. The empirical dependence of the threshold voltage on the switching region dimensions and film thickness is found. It is shown that, for the VO2 channel sizes of 10 × 10 nm, Fmax can reach the value of 300 MHz at a film thickness of 20 nm. Next, it is shown that oscillatory neural networks can be implemented on the basis of coupled VO2 oscillators. For the weak capacitive coupling, we revealed the dependence of the phase difference upon synchronization on the coupling capacitance value. When the switches are scaled down, the limiting time of synchronization is reduced to Ts 13 μs, and the number of oscillation periods for the entering to the synchronization mode remains constant, Ns 17. In the case of weak thermal coupling in the synchronization mode, we observe in-phase behavior of oscillators, and there is a certain range of parameters of the supply current, in which the synchronization effect becomes possible. With a decrease in dimensions, a decrease in the thermal coupling action radius is observed, which can vary in the range from 0.5 to 50 μm for structures with characteristic dimensions of 0.1-5 μm, respectively. Thermal coupling may have a promising effect for realization of a 3D integrated oscillatory neural network.

An integrated approach to develop, validate and operate thermo-physiological human simulator for the development of protective clothing.

PubMed

Psikuta, Agnes; Koelblen, Barbara; Mert, Emel; Fontana, Piero; Annaheim, Simon

2017-12-07

Following the growing interest in the further development of manikins to simulate human thermal behaviour more adequately, thermo-physiological human simulators have been developed by coupling a thermal sweating manikin with a thermo-physiology model. Despite their availability and obvious advantages, the number of studies involving these devices is only marginal, which plausibly results from the high complexity of the development and evaluation process and need of multi-disciplinary expertise. The aim of this paper is to present an integrated approach to develop, validate and operate such devices including technical challenges and limitations of thermo-physiological human simulators, their application and measurement protocol, strategy for setting test scenarios, and the comparison to standard methods and human studies including details which have not been published so far. A physical manikin controlled by a human thermoregulation model overcame the limitations of mathematical clothing models and provided a complementary method to investigate thermal interactions between the human body, protective clothing, and its environment. The opportunities of these devices include not only realistic assessment of protective clothing assemblies and equipment but also potential application in many research fields ranging from biometeorology, automotive industry, environmental engineering, and urban climate to clinical and safety applications.

An integrated approach to develop, validate and operate thermo-physiological human simulator for the development of protective clothing

PubMed Central

PSIKUTA, Agnes; KOELBLEN, Barbara; MERT, Emel; FONTANA, Piero; ANNAHEIM, Simon

2017-01-01

Following the growing interest in the further development of manikins to simulate human thermal behaviour more adequately, thermo-physiological human simulators have been developed by coupling a thermal sweating manikin with a thermo-physiology model. Despite their availability and obvious advantages, the number of studies involving these devices is only marginal, which plausibly results from the high complexity of the development and evaluation process and need of multi-disciplinary expertise. The aim of this paper is to present an integrated approach to develop, validate and operate such devices including technical challenges and limitations of thermo-physiological human simulators, their application and measurement protocol, strategy for setting test scenarios, and the comparison to standard methods and human studies including details which have not been published so far. A physical manikin controlled by a human thermoregulation model overcame the limitations of mathematical clothing models and provided a complementary method to investigate thermal interactions between the human body, protective clothing, and its environment. The opportunities of these devices include not only realistic assessment of protective clothing assemblies and equipment but also potential application in many research fields ranging from biometeorology, automotive industry, environmental engineering, and urban climate to clinical and safety applications. PMID:28966294

Calibrated Hydrothermal Parameters, Barrow, Alaska, 2013

DOE Data Explorer

Atchley, Adam; Painter, Scott; Harp, Dylan; Coon, Ethan; Wilson, Cathy; Liljedahl, Anna; Romanovsky, Vladimir

2015-01-29

A model-observation-experiment process (ModEx) is used to generate three 1D models of characteristic micro-topographical land-formations, which are capable of simulating present active thaw layer (ALT) from current climate conditions. Each column was used in a coupled calibration to identify moss, peat and mineral soil hydrothermal properties to be used in up-scaled simulations. Observational soil temperature data from a tundra site located near Barrow, AK (Area C) is used to calibrate thermal properties of moss, peat, and sandy loam soil to be used in the multiphysics Advanced Terrestrial Simulator (ATS) models. Simulation results are a list of calibrated hydrothermal parameters for moss, peat, and mineral soil hydrothermal parameters.

Electron-phonon coupling and thermal transport in the thermoelectric compound Mo 3Sb 7–xTe x

DOE PAGES

Bansal, Dipanshu; Li, Chen W.; Said, Ayman H.; ...

2015-12-07

Phonon properties of Mo 3Sb 7–xTe x (x = 0, 1.5, 1.7), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution of Te for Sb leads to pronounced changes in the electronic struc- ture, local bonding, phonon density of states (DOS), dispersions, and phonon lifetimes. Alloying with tellurium shifts the Fermi level upward, near the top of the valence band, resulting in a strong suppression of electron-phonon screening, and a large overall stiffening of interatomic force- constants. The suppression in electron-phonon coupling concomitantly increases group velocities and suppresses phononmore » scattering rates, surpassing the effects of alloy-disorder scattering, and re- sulting in a surprising increased lattice thermal conductivity in the alloy. We also identify that the local bonding environment changes non-uniformly around different atoms, leading to variable perturbation strengths for different optical phonon branches. The respective roles of changes in phonon group velocities and phonon lifetimes on the lattice thermal conductivity are quantified. Lastly, our results highlight the importance of the electron-phonon coupling on phonon mean-free-paths in this compound, and also estimates the contributions from boundary scattering, umklapp scattering, and point-defect scattering.« less

Sensitivity analysis of coupled processes and parameters on the performance of enhanced geothermal systems.

PubMed

Pandey, S N; Vishal, Vikram

2017-12-06

3-D modeling of coupled thermo-hydro-mechanical (THM) processes in enhanced geothermal systems using the control volume finite element code was done. In a first, a comparative analysis on the effects of coupled processes, operational parameters and reservoir parameters on heat extraction was conducted. We found that significant temperature drop and fluid overpressure occurred inside the reservoirs/fracture that affected the transport behavior of the fracture. The spatio-temporal variations of fracture aperture greatly impacted the thermal drawdown and consequently the net energy output. The results showed that maximum aperture evolution occurred near the injection zone instead of the production zone. Opening of the fracture reduced the injection pressure required to circulate a fixed mass of water. The thermal breakthrough and heat extraction strongly depend on the injection mass flow rate, well distances, reservoir permeability and geothermal gradients. High permeability caused higher water loss, leading to reduced heat extraction. From the results of TH vs THM process simulations, we conclude that appropriate coupling is vital and can impact the estimates of net heat extraction. This study can help in identifying the critical operational parameters, and process optimization for enhanced energy extraction from a geothermal system.

Radiation-hydrodynamic simulations of thermally-driven disc winds in X-ray binaries: A direct comparison to GRO J1655-40

NASA Astrophysics Data System (ADS)

Higginbottom, Nick; Knigge, Christian; Long, Knox S.; Matthews, James H.; Sim, Stuart A.; Hewitt, Henrietta A.

2018-06-01

Essentially all low-mass X-ray binaries (LMXBs) in the soft state appear to drive powerful equatorial disc winds. A simple mechanism for driving such outflows involves X-ray heating of the top of the disc atmosphere to the Compton temperature. Beyond the Compton radius, the thermal speed exceeds the escape velocity, and mass loss is inevitable. Here, we present the first coupled radiation-hydrodynamic simulation of such thermally-driven disc winds. The main advance over previous modelling efforts is that the frequency-dependent attenuation of the irradiating SED is taken into account. We can therefore relax the approximation that the wind is optically thin throughout which is unlikely to hold in the crucial acceleration zone of the flow. The main remaining limitations of our simulations are connected to our treatment of optically thick regions. Adopting parameters representative of the wind-driving LMXB GRO J1655-40, our radiation-hydrodynamic model yields a mass-loss rate that is ≃ 5 × lower than that suggested by pure hydrodynamic, optically thin models. This outflow rate still represents more than twice the accretion rate and agrees well with the mass-loss rate inferred from Chandra/HETG observations of GRO J1655-40 at a time when the system had a similar luminosity to that adopted in our simulations. The Fe XXV and Fe XXVI Lyman {α } absorption line profiles observed in this state are slightly stronger than those predicted by our simulations but the qualitative agreement between observed and simulated outflow properties means that thermal driving is a viable mechanism for powering the disc winds seen in soft-state LMXBs.

Using Coupled Mesoscale Experiments and Simulations to Investigate High Burn-Up Oxide Fuel Thermal Conductivity

NASA Astrophysics Data System (ADS)

Teague, Melissa C.; Fromm, Bradley S.; Tonks, Michael R.; Field, David P.

2014-12-01

Nuclear energy is a mature technology with a small carbon footprint. However, work is needed to make current reactor technology more accident tolerant and to allow reactor fuel to be burned in a reactor for longer periods of time. Optimizing the reactor fuel performance is essentially a materials science problem. The current understanding of fuel microstructure have been limited by the difficulty in studying the structure and chemistry of irradiated fuel samples at the mesoscale. Here, we take advantage of recent advances in experimental capabilities to characterize the microstructure in 3D of irradiated mixed oxide (MOX) fuel taken from two radial positions in the fuel pellet. We also reconstruct these microstructures using Idaho National Laboratory's MARMOT code and calculate the impact of microstructure heterogeneities on the effective thermal conductivity using mesoscale heat conduction simulations. The thermal conductivities of both samples are higher than the bulk MOX thermal conductivity because of the formation of metallic precipitates and because we do not currently consider phonon scattering due to defects smaller than the experimental resolution. We also used the results to investigate the accuracy of simple thermal conductivity approximations and equations to convert 2D thermal conductivities to 3D. It was found that these approximations struggle to predict the complex thermal transport interactions between metal precipitates and voids.

Effect of Freeze-Thaw Cycles on Soil Nitrogen Reactive Transport in a Polygonal Arctic Tundra Ecosystem at Barrow AK Using 3-D Coupled ALM-PFLOTRAN

NASA Astrophysics Data System (ADS)

Yuan, F.; Wang, G.; Painter, S. L.; Tang, G.; Xu, X.; Kumar, J.; Bisht, G.; Hammond, G. E.; Mills, R. T.; Thornton, P. E.; Wullschleger, S. D.

2017-12-01

In Arctic tundra ecosystem soil freezing-thawing is one of dominant physical processes through which biogeochemical (e.g., carbon and nitrogen) cycles are tightly coupled. Besides hydraulic transport, freezing-thawing can cause pore water movement and aqueous species gradients, which are additional mechanisms for soil nitrogen (N) reactive-transport in Tundra ecosystem. In this study, we have fully coupled an in-development ESM(i.e., Advanced Climate Model for Energy, ACME)'s Land Model (ALM) aboveground processes with a state-of-the-art massively parallel 3-D subsurface thermal-hydrology and reactive transport code, PFLOTRAN. The resulting coupled ALM-PFLOTRAN model is a Land Surface Model (LSM) capable of resolving 3-D soil thermal-hydrological-biogeochemical cycles. This specific version of PFLOTRAN has incorporated CLM-CN Converging Trophic Cascade (CTC) model and a full and simple but robust soil N cycle. It includes absorption-desorption for soil NH4+ and gas dissolving-degasing process as well. It also implements thermal-hydrology mode codes with three newly-modified freezing-thawing algorithms which can greatly improve computing performance in regarding to numerical stiffness at freezing-point. Here we tested the model in fully 3-D coupled mode at the Next Generation Ecosystem Experiment-Arctic (NGEE-Arctic) field intensive study site at the Barrow Environmental Observatory (BEO), AK. The simulations show that: (1) synchronous coupling of soil thermal-hydrology and biogeochemistry in 3-D can greatly impact ecosystem dynamics across polygonal tundra landscape; and (2) freezing-thawing cycles can add more complexity to the system, resulting in greater mobility of soil N vertically and laterally, depending upon local micro-topography. As a preliminary experiment, the model is also implemented for Pan-Arctic region in 1-D column mode (i.e. no lateral connection), showing significant differences compared to stand-alone ALM. The developed ALM-PFLOTRAN coupling codes embeded within ESM will be used for Pan-Arctic regional evaluation of climate change-caused ecosystem responses and their feedbacks to climate system at various scales.

Numerical and experimental analysis of heat transfer in injector plate of hydrogen peroxide hybrid rocket motor

NASA Astrophysics Data System (ADS)

Cai, Guobiao; Li, Chengen; Tian, Hui

2016-11-01

This paper is aimed to analyze heat transfer in injector plate of hydrogen peroxide hybrid rocket motor by two-dimensional axisymmetric numerical simulations and full-scale firing tests. Long-time working, which is an advantage of hybrid rocket motor over conventional solid rocket motor, puts forward new challenges for thermal protection. Thermal environments of full-scale hybrid rocket motors designed for long-time firing tests are studied through steady-state coupled numerical simulations of flow field and heat transfer in chamber head. The motor adopts 98% hydrogen peroxide (98HP) oxidizer and hydroxyl-terminated poly-butadiene (HTPB) based fuel as the propellants. Simulation results reveal that flowing liquid 98HP in head oxidizer chamber could cool the injector plate of the motor. The cooling of 98HP is similar to the regenerative cooling in liquid rocket engines. However, the temperature of the 98HP in periphery portion of the head oxidizer chamber is higher than its boiling point. In order to prevent the liquid 98HP from unexpected decomposition, a thermal protection method for chamber head utilizing silica-phenolics annular insulating board is proposed. The simulation results show that the annular insulating board could effectively decrease the temperature of the 98HP in head oxidizer chamber. Besides, the thermal protection method for long-time working hydrogen peroxide hybrid rocket motor is verified through full-scale firing tests. The ablation of the insulating board in oxygen-rich environment is also analyzed.

Assimilation of water temperature and discharge data for ensemble water temperature forecasting

NASA Astrophysics Data System (ADS)

Ouellet-Proulx, Sébastien; Chimi Chiadjeu, Olivier; Boucher, Marie-Amélie; St-Hilaire, André

2017-11-01

Recent work demonstrated the value of water temperature forecasts to improve water resources allocation and highlighted the importance of quantifying their uncertainty adequately. In this study, we perform a multisite cascading ensemble assimilation of discharge and water temperature on the Nechako River (Canada) using particle filters. Hydrological and thermal initial conditions were provided to a rainfall-runoff model, coupled to a thermal module, using ensemble meteorological forecasts as inputs to produce 5 day ensemble thermal forecasts. Results show good performances of the particle filters with improvements of the accuracy of initial conditions by more than 65% compared to simulations without data assimilation for both the hydrological and the thermal component. All thermal forecasts returned continuous ranked probability scores under 0.8 °C when using a set of 40 initial conditions and meteorological forecasts comprising 20 members. A greater contribution of the initial conditions to the total uncertainty of the system for 1-dayforecasts is observed (mean ensemble spread = 1.1 °C) compared to meteorological forcings (mean ensemble spread = 0.6 °C). The inclusion of meteorological uncertainty is critical to maintain reliable forecasts and proper ensemble spread for lead times of 2 days and more. This work demonstrates the ability of the particle filters to properly update the initial conditions of a coupled hydrological and thermal model and offers insights regarding the contribution of two major sources of uncertainty to the overall uncertainty in thermal forecasts.

Investigation of phonon transport and thermal boundary conductance at the interface of functionalized SWCNT and poly (ether-ketone)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Haoxiang; Kumar, Satish, E-mail: satish.kumar@me.gatech.edu; Chen, Liang

2016-09-07

Carbon nanostructures such as carbon nanotube (CNT), graphene, and carbon fibers can be used as fillers in amorphous polymers to improve their thermal properties. In this study, the effect of covalent bonding of CNT with poly(ether ketone) (PEK) on interfacial thermal interactions is investigated using non-equilibrium molecular dynamics simulations. The number of covalent bonds between (20, 20) CNT and PEK is varied in the range of 0–80 (0%–6.25%), and the thermal boundary conductance is computed. The analysis reveals that covalent functionalization of CNT atoms can enhance the thermal boundary conductance by an order of magnitude compared to the non-functionalized CNT-PEKmore » interface at a high degree of CNT functionalization. Besides strengthening the thermal coupling, covalent functionalization is also shown to modify the phonon spectra of CNT. The transient spectral energy analysis shows that the crosslinks cause faster energy exchange from CNT to PEK in different frequency bands. The oxygen atom of hydroxyl group of PEK contributes energy transfer in the low frequency band, while aromatic and carbonyl carbon atoms play a more significant role in high frequency bands. In addition, by analyzing the relaxation time of the spectral temperature of different frequency bands of CNT, it is revealed that with increasing number of bonds, both lower frequency vibrational modes and higher frequency modes efficiently couple across the CNT-PEK interface and contribute in thermal energy transfer from CNT to the matrix.« less

Numerical investigation and experimental development on VM-PT cryocooler operating below 4 K

NASA Astrophysics Data System (ADS)

Zhang, Tong; Pan, Changzhao; Zhou, Yuan; Wang, Junjie

2016-12-01

Vuilleumier coupling pulse tube (VM-PT) cryocooler is a novel kind of cryocooler capable of attaining liquid helium temperature which had been experimentally verified. Depending on different coupling modes and phase shifters, VM-PT cryocooler can be designed in several configurations. This paper presents a numerical investigation on three typical types of VM-PT cryocoolers, which are gas-coupling mode with room temperature phase shifter (GCRP), gas-coupling mode with cold phase shifter (GCCP) and thermal-coupling mode with cold phase shifter (TCCP). Firstly, three configurations are optimized on operating parameters to attain lower no-load temperature. Then, based on the simulation results, distributions of acoustic power, enthalpy flow, pressure wave, and volume flow rate are presented and discussed to better understand the energy flow characteristics and coupling mechanism. Meanwhile, analyses of phase relationship and exergy loss are also performed. Furthermore, a GCCP experimental system with optimal comprehensive performance among three configurations was built and tested. Experimental results showed good consistency with the simulations. Finally, a no-load temperature of 3.39 K and cooling power of 9.75 mW at 4.2 K were obtained with a pressure ratio of 1.7, operating frequency of 1.22 Hz and mean pressure of 1.5 MPa.

Nonlinear motion of cantilevered SWNT and Its Meaning to Phonon Dynamics

NASA Astrophysics Data System (ADS)

Koh, Heeyuen; Cannon, James; Chiashi, Shohei; Shiomi, Junichiro; Maruyama, Shigeo

2013-03-01

Based on the finding that the lowest frequency mode of cantilevered SWNT is described by the continuum beam theory in frequency domain, we considered its effect of the symmetric structure for the coupling of orthogonal transverse modes to explain the nonlinear motion of free thermal vibration. This nonlinear motion calculated by our molecular dynamics simulation, once regarded as noise, is observed to have the periodic order with duffing and beating, which is dependent on aspect ratio and temperature. It could be dictated by the governing equation from the Green Lagrangian strain tensor. The nonlinear beam equation from strain tensor described the motion well for various models which has different aspect ratio in molecular dynamics simulation. Since this motion is nothing but the interaction between 2nd mode of radial, tangential mode and 1st longitudinal mode, it was found that Green Lagrangian strain tensor is capable to deal such coupling. The free thermal motion of suspended SWNT is also considered without temperature gradient. The Q factor measured by this theoretical analysis will be discussed. Part of this work was financially supported by Grant-in-Aid for Scientific Research (19054003 and 22226006), and Global COE Program 'Global Center for Excellence for Mechanical Systems Innovation'

Thermal Analysis of Small Re-Entry Probe

NASA Technical Reports Server (NTRS)

Agrawal, Parul; Prabhu, Dinesh K.; Chen, Y. K.

2012-01-01

The Small Probe Reentry Investigation for TPS Engineering (SPRITE) concept was developed at NASA Ames Research Center to facilitate arc-jet testing of a fully instrumented prototype probe at flight scale. Besides demonstrating the feasibility of testing a flight-scale model and the capability of an on-board data acquisition system, another objective for this project was to investigate the capability of simulation tools to predict thermal environments of the probe/test article and its interior. This paper focuses on finite-element thermal analyses of the SPRITE probe during the arcjet tests. Several iterations were performed during the early design phase to provide critical design parameters and guidelines for testing. The thermal effects of ablation and pyrolysis were incorporated into the final higher-fidelity modeling approach by coupling the finite-element analyses with a two-dimensional thermal protection materials response code. Model predictions show good agreement with thermocouple data obtained during the arcjet test.

Thermal Conductivity within Nanoparticle Powder Beds

NASA Astrophysics Data System (ADS)

Wilson, Mark; Chandross, Michael

Non-equilibrium molecular dynamics is utilized to compute thermal transport properties within nanoparticle powder beds. In the realm of additive manufacturing of metals, the electronic contribution to thermal conduction is critical. To this end, our simulations incorporate the two temperature model, coupling a continuum representation of the electronic thermal contribution and the atomic phonon system. The direct method is used for conductivity determination, wherein thermal gradients between two different temperature heat flux reservoirs are calculated. The approach is demonstrated on several example cases including 304L stainless steel. The results from size distribution variations of mono/poly-disperse systems are extrapolated to predict values at the micron length scale, along with bulk properties at infinite system sizes. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

A New Reliability Analysis Model of the Chegongzhuang Heat-Supplying Tunnel Structure Considering the Coupling of Pipeline Thrust and Thermal Effect

PubMed Central

Zhang, Jiawen; He, Shaohui; Wang, Dahai; Liu, Yangpeng; Yao, Wenbo; Liu, Xiabing

2018-01-01

Based on the operating Chegongzhuang heat-supplying tunnel in Beijing, the reliability of its lining structure under the action of large thrust and thermal effect is studied. According to the characteristics of a heat-supplying tunnel service, a three-dimensional numerical analysis model was established based on the mechanical tests on the in-situ specimens. The stress and strain of the tunnel structure were obtained before and after the operation. Compared with the field monitoring data, the rationality of the model was verified. After extracting the internal force of the lining structure, the improved method of subset simulation was proposed as the performance function to calculate the reliability of the main control section of the tunnel. In contrast to the traditional calculation method, the analytic relationship between the sample numbers in the subset simulation method and Monte Carlo method was given. The results indicate that the lining structure is greatly influenced by coupling in the range of six meters from the fixed brackets, especially the tunnel floor. The improved subset simulation method can greatly save computation time and improve computational efficiency under the premise of ensuring the accuracy of calculation. It is suitable for the reliability calculation of tunnel engineering, because “the lower the probability, the more efficient the calculation.” PMID:29401691

Aerothermal and aeroelastic response prediction of aerospace structures in high-speed flows using direct numerical simulation

NASA Astrophysics Data System (ADS)

Ostoich, Christopher Mark

Future high-speed air vehicles will be lightweight, flexible, and reusable. Ve- hicles fitting this description are subject to severe thermal and fluid dynamic loading from multiple sources such as aerothermal heating, propulsion sys- tem exhaust, and high dynamic pressures. The combination of low-margin design requirements and extreme environmental conditions emphasizes the occurrence of fluid-thermal-structural coupling. Numerous attempts to field such vehicles have been unsuccessful over the past half-century due par- tially to the inability of traditional design and analysis practices to predict the structural response in this flight regime. In this thesis, a high-fidelity computational approach is used to examine the fluid-structural response of aerospace structures in high-speed flows. The method is applied to two cases: one involving a fluid-thermal interaction problem in a hypersonic flow and the other a fluid-structure interaction study involving a turbulent boundary layer and a compliant panel. The coupled fluid-thermal investigation features a nominally rigid alu- minum spherical dome fixed to a ceramic panel holder placed in a Mach 6.59 laminar boundary layer. The problem was originally studied by Glass and Hunt in a 1988 wind tunnel experiment in the NASA Langley 8-Foot High Temperature Tunnel and is motivated by thermally bowed body panels designed for the National Aerospace Plane. In this work, the compressible Navier-Stokes equations for a thermally perfect gas and the transient heat equation in the structure are solved simultaneously using two high-fidelity solvers coupled at the solid-fluid interface. Predicted surface heat fluxes are within 10% of the measured values in the dome interior with greater differ- ences found near the dome edges where uncertainties concerning the exper- imental model's construction likely influence the thermal dynamics. On the flat panel holder, the local surface heat fluxes approach those on the wind- ward dome face due to a dome-induced horseshoe vortex scouring the panel's surface. Comparisons with reduced-order models of heat transfer indicate that they perform with varying levels of accuracy around some portions of the geometry while completely failing to predict significant heat loads in re- gions where the dome-influenced flow impacts the ceramic panel. Cumulative effects of flow-thermal coupling at later simulation times on the reduction of panel drag and surface heat transfer are quantified. The second fluid-structure study investigates the interaction between a thin metallic panel and a Mach 2.25 turbulent boundary layer with an ini- tial momentum thickness Reynolds number of 1200. A transient, non-linear, large deformation, 3D finite element solver is developed to compute the dynamic response of the panel. The solver is coupled at the fluid-structure interface with the compressible Navier-Stokes solver, the latter of which is used for a direct numerical simulation of the turbulent boundary layer. In this approach, no simplifying assumptions regarding the structural solution or turbulence modeling are made in order to get detailed solution data. It is found that the thin panel state evolves into a flutter type response char- acterized by high-amplitude, high-frequency oscillations into the flow. The oscillating panel disturbs the supersonic flow by introducing compression waves, modifying the turbulence, and generating fluctuations in the power exiting the top of the flow domain. The work in this thesis serves as a step forward in structural response prediction in high-speed flows. The results demonstrate the ability of high- fidelity numerical approaches to serve as a guide for reduced-order model improvement and as well as provide accurate and detailed solution data in scenarios where experimental approaches are difficult or impossible.

Development of a 1.5D plasma transport code for coupling to full orbit runaway electron simulations

NASA Astrophysics Data System (ADS)

Lore, J. D.; Del Castillo-Negrete, D.; Baylor, L.; Carbajal, L.

2017-10-01

A 1.5D (1D radial transport + 2D equilibrium geometry) plasma transport code is being developed to simulate runaway electron generation, mitigation, and avoidance by coupling to the full-orbit kinetic electron transport code KORC. The 1.5D code solves the time-dependent 1D flux surface averaged transport equations with sources for plasma density, pressure, and poloidal magnetic flux, along with the Grad-Shafranov equilibrium equation for the 2D flux surface geometry. Disruption mitigation is simulated by introducing an impurity neutral gas `pellet', with impurity densities and electron cooling calculated from ionization, recombination, and line emission rate coefficients. Rapid cooling of the electrons increases the resistivity, inducing an electric field which can be used as an input to KORC. The runaway electron current is then included in the parallel Ohm's law in the transport equations. The 1.5D solver will act as a driver for coupled simulations to model effects such as timescales for thermal quench, runaway electron generation, and pellet impurity mixtures for runaway avoidance. Current progress on the code and details of the numerical algorithms will be presented. Work supported by the US DOE under DE-AC05-00OR22725.

A Jacobian-free Newton Krylov method for mortar-discretized thermomechanical contact problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hansen, Glen, E-mail: Glen.Hansen@inl.gov

2011-07-20

Multibody contact problems are common within the field of multiphysics simulation. Applications involving thermomechanical contact scenarios are also quite prevalent. Such problems can be challenging to solve due to the likelihood of thermal expansion affecting contact geometry which, in turn, can change the thermal behavior of the components being analyzed. This paper explores a simple model of a light water reactor nuclear fuel rod, which consists of cylindrical pellets of uranium dioxide (UO{sub 2}) fuel sealed within a Zircalloy cladding tube. The tube is initially filled with helium gas, which fills the gap between the pellets and cladding tube. Themore » accurate modeling of heat transfer across the gap between fuel pellets and the protective cladding is essential to understanding fuel performance, including cladding stress and behavior under irradiated conditions, which are factors that affect the lifetime of the fuel. The thermomechanical contact approach developed here is based on the mortar finite element method, where Lagrange multipliers are used to enforce weak continuity constraints at participating interfaces. In this formulation, the heat equation couples to linear mechanics through a thermal expansion term. Lagrange multipliers are used to formulate the continuity constraints for both heat flux and interface traction at contact interfaces. The resulting system of nonlinear algebraic equations are cast in residual form for solution of the transient problem. A Jacobian-free Newton Krylov method is used to provide for fully-coupled solution of the coupled thermal contact and heat equations.« less

A Jacobian-Free Newton Krylov Method for Mortar-Discretized Thermomechanical Contact Problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Glen Hansen

2011-07-01

Multibody contact problems are common within the field of multiphysics simulation. Applications involving thermomechanical contact scenarios are also quite prevalent. Such problems can be challenging to solve due to the likelihood of thermal expansion affecting contact geometry which, in turn, can change the thermal behavior of the components being analyzed. This paper explores a simple model of a light water reactor nuclear reactor fuel rod, which consists of cylindrical pellets of uranium dioxide (UO2) fuel sealed within a Zircalloy cladding tube. The tube is initially filled with helium gas, which fills the gap between the pellets and cladding tube. Themore » accurate modeling of heat transfer across the gap between fuel pellets and the protective cladding is essential to understanding fuel performance, including cladding stress and behavior under irradiated conditions, which are factors that affect the lifetime of the fuel. The thermomechanical contact approach developed here is based on the mortar finite element method, where Lagrange multipliers are used to enforce weak continuity constraints at participating interfaces. In this formulation, the heat equation couples to linear mechanics through a thermal expansion term. Lagrange multipliers are used to formulate the continuity constraints for both heat flux and interface traction at contact interfaces. The resulting system of nonlinear algebraic equations are cast in residual form for solution of the transient problem. A Jacobian-free Newton Krylov method is used to provide for fully-coupled solution of the coupled thermal contact and heat equations.« less

Modelling and simulation of a thermally induced optical transparency in a dual micro-ring resonator

PubMed Central

2017-01-01

This paper introduces the simulation and modelling of a novel dual micro-ring resonator. The geometric configuration of the resonators, and the implementation of a simulated broadband excitation source, results in the realization of optical transparencies in the combined through port output spectrum. The 130 nm silicon on insulator rib fabrication process is adopted for the simulation of the dual-ring configuration. Two titanium nitride heaters are positioned over the coupling regions of the resonators, which can be operated independently, to control the spectral position of the optical transparency. A third heater, centrally located above the dual resonator rings, can be used to red shift the entire spectrum to a required reference resonant wavelength. The free spectral range with no heater currents applied is 4.29 nm. For a simulated heater current of 7 mA (55.7 mW heater power) applied to one of the through coupling heaters, the optical transparency exhibits a red shift of 1.79 nm from the reference resonant wavelength. The ring-to-ring separation of approximately 900 nm means that it can be assumed that there is a zero ring-to-ring coupling field in this model. This novel arrangement has potential applications as a gas mass airflow sensor or a gas species identification sensor. PMID:28791167

Modelling and simulation of a thermally induced optical transparency in a dual micro-ring resonator.

PubMed

Lydiate, Joseph

2017-07-01

This paper introduces the simulation and modelling of a novel dual micro-ring resonator. The geometric configuration of the resonators, and the implementation of a simulated broadband excitation source, results in the realization of optical transparencies in the combined through port output spectrum. The 130 nm silicon on insulator rib fabrication process is adopted for the simulation of the dual-ring configuration. Two titanium nitride heaters are positioned over the coupling regions of the resonators, which can be operated independently, to control the spectral position of the optical transparency. A third heater, centrally located above the dual resonator rings, can be used to red shift the entire spectrum to a required reference resonant wavelength. The free spectral range with no heater currents applied is 4.29 nm. For a simulated heater current of 7 mA (55.7 mW heater power) applied to one of the through coupling heaters, the optical transparency exhibits a red shift of 1.79 nm from the reference resonant wavelength. The ring-to-ring separation of approximately 900 nm means that it can be assumed that there is a zero ring-to-ring coupling field in this model. This novel arrangement has potential applications as a gas mass airflow sensor or a gas species identification sensor.

A multi-scale model for geared transmission aero-thermodynamics

NASA Astrophysics Data System (ADS)

McIntyre, Sean M.

A multi-scale, multi-physics computational tool for the simulation of high-per- formance gearbox aero-thermodynamics was developed and applied to equilibrium and pathological loss-of-lubrication performance simulation. The physical processes at play in these systems include multiphase compressible ow of the air and lubricant within the gearbox, meshing kinematics and tribology, as well as heat transfer by conduction, and free and forced convection. These physics are coupled across their representative space and time scales in the computational framework developed in this dissertation. These scales span eight orders of magnitude, from the thermal response of the full gearbox O(100 m; 10 2 s), through effects at the tooth passage time scale O(10-2 m; 10-4 s), down to tribological effects on the meshing gear teeth O(10-6 m; 10-6 s). Direct numerical simulation of these coupled physics and scales is intractable. Accordingly, a scale-segregated simulation strategy was developed by partitioning and treating the contributing physical mechanisms as sub-problems, each with associated space and time scales, and appropriate coupling mechanisms. These are: (1) the long time scale thermal response of the system, (2) the multiphase (air, droplets, and film) aerodynamic flow and convective heat transfer within the gearbox, (3) the high-frequency, time-periodic thermal effects of gear tooth heating while in mesh and its subsequent cooling through the rest of rotation, (4) meshing effects including tribology and contact mechanics. The overarching goal of this dissertation was to develop software and analysis procedures for gearbox loss-of-lubrication performance. To accommodate these four physical effects and their coupling, each is treated in the CFD code as a sub problem. These physics modules are coupled algorithmically. Specifically, the high- frequency conduction analysis derives its local heat transfer coefficient and near-wall air temperature boundary conditions from a quasi-steady cyclic-symmetric simulation of the internal flow. This high-frequency conduction solution is coupled directly with a model for the meshing friction, developed by a collaborator, which was adapted for use in a finite-volume CFD code. The local surface heat flux on solid surfaces is calculated by time-averaging the heat flux in the high-frequency analysis. This serves as a fixed-flux boundary condition in the long time scale conduction module. The temperature distribution from this long time scale heat transfer calculation serves as a boundary condition for the internal convection simulation, and as the initial condition for the high-frequency heat transfer module. Using this multi-scale model, simulations were performed for equilibrium and loss-of-lubrication operation of the NASA Glenn Research Center test stand. Results were compared with experimental measurements. In addition to the multi-scale model itself, several other specific contributions were made. Eulerian models for droplets and wall-films were developed and im- plemented in the CFD code. A novel approach to retaining liquid film on the solid surfaces, and strategies for its mass exchange with droplets, were developed and verified. Models for interfacial transfer between droplets and wall-film were implemented, and include the effects of droplet deposition, splashing, bouncing, as well as film breakup. These models were validated against airfoil data. To mitigate the observed slow convergence of CFD simulations of the enclosed aerodynamic flows within gearboxes, Fourier stability analysis was applied to the SIMPLE-C fractional-step algorithm. From this, recommendations to accelerate the convergence rate through enhanced pressure-velocity coupling were made. These were shown to be effective. A fast-running finite-volume reduced-order-model of the gearbox aero-thermo- dynamics was developed, and coupled with the tribology model to investigate the sensitivity of loss-of-lubrication predictions to various model and physical param- eters. This sensitivity study was instrumental in guiding efforts toward improving the accuracy of the multi-scale model without undue increase in computational cost. In addition, the reduced-order model is now used extensively by a collaborator in tribology model development and testing. Experimental measurements of high-speed gear windage in partially and fully- shrouded configurations were performed to supplement the paucity of available validation data. This measurement program provided measurements of windage loss for a gear of design-relevant size and operating speed, as well as guidance for increasing the accuracy of future measurements.

Thermo-mechanical simulations of early-age concrete cracking with durability predictions

NASA Astrophysics Data System (ADS)

Havlásek, Petr; Šmilauer, Vít; Hájková, Karolina; Baquerizo, Luis

2017-09-01

Concrete performance is strongly affected by mix design, thermal boundary conditions, its evolving mechanical properties, and internal/external restraints with consequences to possible cracking with impaired durability. Thermo-mechanical simulations are able to capture those relevant phenomena and boundary conditions for predicting temperature, strains, stresses or cracking in reinforced concrete structures. In this paper, we propose a weakly coupled thermo-mechanical model for early age concrete with an affinity-based hydration model for thermal part, taking into account concrete mix design, cement type and thermal boundary conditions. The mechanical part uses B3/B4 model for concrete creep and shrinkage with isotropic damage model for cracking, able to predict a crack width. All models have been implemented in an open-source OOFEM software package. Validations of thermo-mechanical simulations will be presented on several massive concrete structures, showing excellent temperature predictions. Likewise, strain validation demonstrates good predictions on a restrained reinforced concrete wall and concrete beam. Durability predictions stem from induction time of reinforcement corrosion, caused by carbonation and/or chloride ingress influenced by crack width. Reinforcement corrosion in concrete struts of a bridge will serve for validation.

A sharp interface immersed boundary method for vortex-induced vibration in the presence of thermal buoyancy

NASA Astrophysics Data System (ADS)

Garg, Hemanshul; Soti, Atul K.; Bhardwaj, Rajneesh

2018-02-01

We report the development of an in-house fluid-structure interaction solver and its application to vortex-induced vibration (VIV) of an elastically mounted cylinder in the presence of thermal buoyancy. The flow solver utilizes a sharp interface immersed boundary method, and in the present work, we extend it to account for the thermal buoyancy using Boussinesq approximation and couple it with a spring-mass system of the VIV. The one-way coupling utilizes an explicit time integration scheme and is computationally efficient. We present benchmark code verifications of the solver for natural convection, mixed convection, and VIV. In addition, we verify a coupled VIV-thermal buoyancy problem at a Reynolds number, Re = 150. We numerically demonstrate the onset of the VIV in the presence of the thermal buoyancy for an insulated cylinder at low Re. The buoyancy is induced by two parallel plates, kept in the direction of flow and symmetrically placed around the cylinder. The plates are maintained at the hot and cold temperature to the same degree relative to the ambient. In the absence of the thermal buoyancy (i.e., the plates are at ambient temperature), the VIV does not occur for Re ≤ 20 due to stable shear layers. By contrast, the thermal buoyancy induces flow instability and the vortex shedding helps us to achieve the VIV at Re ≤ 20, lower than the critical value of Re (≈21.7), reported in the literature, for a self-sustained VIV in the absence of the thermal buoyancy. The present simulations show that the lowest Re to achieve VIV in the presence of the thermal buoyancy is around Re ≈ 3, at Richardson number, Ri = 1. We examine the effect of the reduced velocity (UR), mass ratio (m), Prandtl number (Pr), Richardson number (Ri) on the displacement of the cylinder, lift coefficient, oscillation frequency, the phase difference between displacement and lift force, and wake structures. We obtain a significantly larger vibration amplitude of the cylinder over a wide range of UR as compared to that in the absence of the thermal buoyancy.

Modelling Soil Heat and Water Flow as a Coupled Process in Land Surface Models

NASA Astrophysics Data System (ADS)

García González, Raquel; Verhoef, Anne; Vidale, Pier Luigi; Braud, Isabelle

2010-05-01

To improve model estimates of soil water and heat flow by land surface models (LSMs), in particular in the first few centimetres of the near-surface soil profile, we have to consider in detail all the relevant physical processes involved (see e.g. Milly, 1982). Often, thermal and iso-thermal vapour fluxes in LSMs are neglected and the simplified Richard's equation is used as a result. Vapour transfer may affect the water fluxes and heat transfer in LSMs used for hydrometeorological and climate simulations. Processes occurring in the top 50 cm soil may be relevant for water and heat flux dynamics in the deeper layers, as well as for estimates of evapotranspiration and heterotrophic respiration, or even for climate and weather predictions. Water vapour transfer, which was not incorporated in previous versions of the MOSES/JULES model (Joint UK Land Environment Simulator; Cox et al., 1999), has now been implemented. Furthermore, we also assessed the effect of the soil vertical resolution on the simulated soil moisture and temperature profiles and the effect of the processes occurring at the upper boundary, mainly in terms of infiltration rates and evapotranspiration. SiSPAT (Simple Soil Plant Atmosphere Transfer Model; Braud et al., 1995) was initially used to quantify the changes that we expect to find when we introduce vapour transfer in JULES, involving parameters such as thermal vapour conductivity and diffusivity. Also, this approach allows us to compare JULES to a more complete and complex numerical model. Water vapour flux varied with soil texture, depth and soil moisture content, but overall our results suggested that water vapour fluxes change temperature gradients in the entire soil profile and introduce an overall surface cooling effect. Increasing the resolution smoothed and reduced temperature differences between liquid (L) and liquid/vapour (LV) simulations at all depths, and introduced a temperature increase over the entire soil profile. Thermal gradients rather than soil water potential gradients seem to cause temporal and spatial (vertical) soil temperature variability. We conclude that a multi-soil layer configuration may improve soil water dynamics, heat transfer and coupling of these processes, as well as evapotranspiration estimates and land surface-atmosphere coupling. However, a compromise should be reached between numerical and process-simulation aspects. References: Braud I., A.C. Dantas-Antonino, M. Vauclin, J.L. Thony and P. Ruelle, 1995b: A Simple Soil Plant Atmo- sphere Transfer model (SiSPAT), Development and field verification, J. Hydrol, 166: 213-250 Cox, P.M., R.A. Betts, C.B. Bunton, R.L.H. Essery, P.R. Rowntree, and J. Smith (1999), The impact of new land surface physics on the GCM simulation of climate and climate sensitivity. Clim. Dyn., 15, 183-203. Milly, P.C.D., 1982. Moisture and heat transport in hysteric inhomogeneous porous media: a matric head- based formulation and a numerical model, Water Resour. Res., 18:489-498

Numerical simulation on behaviour of timber-concrete composite beams in fire

NASA Astrophysics Data System (ADS)

Du, Hao; Hu, Xiamin; Zhang, Bing; Minli, Yao

2017-08-01

This paper established sequentially coupled thermal-mechanical models of timber--concrete composite (TCC) beams by finite element software ANSYS to investigate the fire resistance of TCC beam. Existing experimental results were used to verify the coupled thermal-mechanical model. The influencing parameters consisted of the width of timber beam, the thickness of the concrete slab and the timber board. Based on the numerical results, the effects of these parameters on fire resistance of TCC beams were investigated in detail. The results showed that modeling results agreed well with test results, and verified the reliability of the finite element model. The width of the timber beam had a significant influence on the fire resistance of TCC beams. The fire resistance of TCC beams would be enhanced by increasing the width of timber beam, the thickness of concrete slab and the timber board.

Enhancing the ABAQUS Thermomechanics Code to Simulate Steady and Transient Fuel Rod Behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

R. L. Williamson; D. A. Knoll

2009-09-01

A powerful multidimensional fuels performance capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth , gap heat transfer, and gap/plenum gas behavior during irradiation. The various modeling capabilities are demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multi-pellet fuel rod, during both steady and transient operation. Computational results demonstrate the importancemore » of a multidimensional fully-coupled thermomechanics treatment. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermo-mechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths.« less

Improved two-temperature model including electron density of states effects for Au during femtosecond laser pulses

NASA Astrophysics Data System (ADS)

Fang, Ranran; Wei, Hua; Li, Zhihua; Zhang, Duanming

2012-01-01

The electron temperature dependences of the electron-phonon coupling factor and electron heat capacity based on the electron density of states are investigated for precious metal Au under femtosecond laser irradiation. The thermal excitation of d band electrons is found to result in large deviations from the commonly used approximations of linear temperature dependence of the electron heat capacity, and the constant electron-phonon coupling factor. Results of the simulations performed with the two-temperature model demonstrate that the electron-phonon relaxation time becomes short for high fluence laser for Au. The satisfactory agreement between our numerical results and experimental data of threshold fluence indicates that the electron temperature dependence of the thermophysical parameters accounting for the thermal excitation of d band electrons should not be neglected under the condition that electron temperature is higher than 10 4 K.

Metric for strong intrinsic fourth-order phonon anharmonicity

NASA Astrophysics Data System (ADS)

Yue, Sheng-Ying; Zhang, Xiaoliang; Qin, Guangzhao; Phillpot, Simon R.; Hu, Ming

2017-05-01

Under the framework of Taylor series expansion for potential energy, we propose a simple and robust metric, dubbed "regular residual analysis," to measure the fourth-order phonon anharmonicity in crystals. The method is verified by studying the intrinsic strong higher-order anharmonic effects in UO2 and CeO2. Comparison of the thermal conductivity results, which calculated by the anharmonic lattice dynamics method coupled with the Boltzmann transport equation and the spectral energy density method coupled with ab initio molecular dynamics simulation further validates our analysis. Analysis of the bulk Si and Ge systems confirms that the fourth-order phonon anharmonicity is enhanced and cannot be neglected at high enough temperatures, which agrees with a previous study where the four-phonon scattering was explicitly determined. This metric will facilitate evaluating and interpreting the lattice thermal conductivity of crystals with strong fourth-order phonon anharmonicity.

Improving Permafrost Hydrology Prediction Through Data-Model Integration

NASA Astrophysics Data System (ADS)

Wilson, C. J.; Andresen, C. G.; Atchley, A. L.; Bolton, W. R.; Busey, R.; Coon, E.; Charsley-Groffman, L.

2017-12-01

The CMIP5 Earth System Models were unable to adequately predict the fate of the 16GT of permafrost carbon in a warming climate due to poor representation of Arctic ecosystem processes. The DOE Office of Science Next Generation Ecosystem Experiment, NGEE-Arctic project aims to reduce uncertainty in the Arctic carbon cycle and its impact on the Earth's climate system by improved representation of the coupled physical, chemical and biological processes that drive how much buried carbon will be converted to CO2 and CH4, how fast this will happen, which form will dominate, and the degree to which increased plant productivity will offset increased soil carbon emissions. These processes fundamentally depend on permafrost thaw rate and its influence on surface and subsurface hydrology through thermal erosion, land subsidence and changes to groundwater flow pathways as soil, bedrock and alluvial pore ice and massive ground ice melts. LANL and its NGEE colleagues are co-developing data and models to better understand controls on permafrost degradation and improve prediction of the evolution of permafrost and its impact on Arctic hydrology. The LANL Advanced Terrestrial Simulator was built using a state of the art HPC software framework to enable the first fully coupled 3-dimensional surface-subsurface thermal-hydrology and land surface deformation simulations to simulate the evolution of the physical Arctic environment. Here we show how field data including hydrology, snow, vegetation, geochemistry and soil properties, are informing the development and application of the ATS to improve understanding of controls on permafrost stability and permafrost hydrology. The ATS is being used to inform parameterizations of complex coupled physical, ecological and biogeochemical processes for implementation in the DOE ACME land model, to better predict the role of changing Arctic hydrology on the global climate system. LA-UR-17-26566.

Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopy.

PubMed

Basire, Marie; Borgis, Daniel; Vuilleumier, Rodolphe

2013-08-14

Langevin dynamics coupled to a quantum thermal bath (QTB) allows for the inclusion of vibrational quantum effects in molecular dynamics simulations at virtually no additional computer cost. We investigate here the ability of the QTB method to reproduce the quantum Wigner distribution of a variety of model potentials, designed to assess the performances and limits of the method. We further compute the infrared spectrum of a multidimensional model of proton transfer in the gas phase and in solution, using classical trajectories sampled initially from the Wigner distribution. It is shown that for this type of system involving large anharmonicities and strong nonlinear coupling to the environment, the quantum thermal bath is able to sample the Wigner distribution satisfactorily and to account for both zero point energy and tunneling effects. It leads to quantum time correlation functions having the correct short-time behavior, and the correct associated spectral frequencies, but that are slightly too overdamped. This is attributed to the classical propagation approximation rather than the generation of the quantized initial conditions themselves.

Tunable vertical-cavity surface-emitting laser with feedback to implement a pulsed neural model. 2. High-frequency effects and optical coupling.

PubMed

Romariz, Alexandre R S; Wagner, Kelvin H

2007-07-20

The operation of an optoelectronic dynamic neural model implementation is extended to higher frequencies. A simplified model of thermal effects in vertical-cavity surface-emitting lasers correctly predicts the qualitative changes in the nonlinear mapping implementation with frequency. Experiments and simulations show the expected resonance properties of this model neuron, along with the possibility of other dynamic effects in addition to the ones observed in the original FitzHugh-Nagumo equations. Results of optical coupling between two similar pulsing artificial neurons are also presented.

Nuclear Thermal Rocket Element Environmental Simulator (NTREES) Upgrade Activities

NASA Technical Reports Server (NTRS)

Emrich, William

2013-01-01

A key technology element in Nuclear Thermal Propulsion is the development of fuel materials and components which can withstand extremely high temperatures while being exposed to flowing hydrogen. NTREES provides a cost effective method for rapidly screening of candidate fuel components with regard to their viability for use in NTR systems. The NTREES is designed to mimic the conditions (minus the radiation) to which nuclear rocket fuel elements and other components would be subjected to during reactor operation. The NTREES consists of a water cooled ASME code stamped pressure vessel and its associated control hardware and instrumentation coupled with inductive heaters to simulate the heat provided by the fission process. The NTREES has been designed to safely allow hydrogen gas to be injected into internal flow passages of an inductively heated test article mounted in the chamber.

Coupled Finite Element ? Potts Model Simulations of Grain Growth in Copper Interconnects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radhakrishnan, Balasubramaniam; Gorti, Sarma B

The paper addresses grain growth in copper interconnects in the presence of thermal expansion mismatch stresses. The evolution of grain structure and texture in copper in the simultaneous presence of two driving forces, curvature and elastic stored energy difference, is modeled by using a hybrid Potts model simulation approach. The elastic stored energy is calculated by using the commercial finite element code ABAQUS, where the effect of elastic anisotropy on the thermal mismatch stress and strain distribution within a polycrystalline grain structure is modeled through a user material (UMAT) interface. Parametric studies on the effect of trench width and themore » height of the overburden were carried out. The results show that the grain structure and texture evolution are significantly altered by the presence of elastic strain energy.« less

Coupling Network Computing Applications in Air-cooled Turbine Blades Optimization

NASA Astrophysics Data System (ADS)

Shi, Liang; Yan, Peigang; Xie, Ming; Han, Wanjin

2018-05-01

Through establishing control parameters from blade outside to inside, the parametric design of air-cooled turbine blade based on airfoil has been implemented. On the basis of fast updating structure features and generating solid model, a complex cooling system has been created. Different flow units are modeled into a complex network topology with parallel and serial connection. Applying one-dimensional flow theory, programs have been composed to get pipeline network physical quantities along flow path, including flow rate, pressure, temperature and other parameters. These inner units parameters set as inner boundary conditions for external flow field calculation program HIT-3D by interpolation, thus to achieve full field thermal coupling simulation. Referring the studies in literatures to verify the effectiveness of pipeline network program and coupling algorithm. After that, on the basis of a modified design, and with the help of iSIGHT-FD, an optimization platform had been established. Through MIGA mechanism, the target of enhancing cooling efficiency has been reached, and the thermal stress has been effectively reduced. Research work in this paper has significance for rapid deploying the cooling structure design.

Modeling Coupled Movement of Water, Vapor, and Energy in Soils and at the Soil-Atmosphere Interface Using HYDRUS

NASA Astrophysics Data System (ADS)

Simunek, Jiri; Brunetti, Giuseppe; Saito, Hirotaka; Bristow, Keith

2017-04-01

Mass and energy fluxes in the subsurface are closely coupled and cannot be evaluated without considering their mutual interactions. However, only a few numerical models consider coupled water, vapor and energy transport in both the subsurface and at the soil-atmosphere interface. While hydrological and thermal processes in the subsurface are commonly implemented in existing models, which often consider both isothermally and thermally induced water and vapor flow, the interactions at the soil-atmosphere interface are often simplified, and the effects of slope inclination, slope azimuth, variable surface albedo and plant shading on incoming radiation and spatially variable surface mass and energy balance, and consequently on soil moisture and temperature distributions, are rarely considered. In this presentation we discuss these missing elements and our attempts to implement them into the HYDRUS model. We demonstrate implications of some of these interactions and their impact on the spatial distributions of soil temperature and water content, and their effect on soil evaporation. Additionally, we will demonstrate the use of the HYDRUS model to simulate processes relevant to the ground source heat pump systems.

Dynamic modeling and verification of an energy-efficient greenhouse with an aquaponic system using TRNSYS

NASA Astrophysics Data System (ADS)

Amin, Majdi Talal

Currently, there is no integrated dynamic simulation program for an energy efficient greenhouse coupled with an aquaponic system. This research is intended to promote the thermal management of greenhouses in order to provide sustainable food production with the lowest possible energy use and material waste. A brief introduction of greenhouses, passive houses, energy efficiency, renewable energy systems, and their applications are included for ready reference. An experimental working scaled-down energy-efficient greenhouse was built to verify and calibrate the results of a dynamic simulation model made using TRNSYS software. However, TRNSYS requires the aid of Google SketchUp to develop 3D building geometry. The simulation model was built following the passive house standard as closely as possible. The new simulation model was then utilized to design an actual greenhouse with Aquaponics. It was demonstrated that the passive house standard can be applied to improve upon conventional greenhouse performance, and that it is adaptable to different climates. The energy-efficient greenhouse provides the required thermal environment for fish and plant growth, while eliminating the need for conventional cooling and heating systems.

Fluid Structure Interaction in a Turbine Blade

NASA Technical Reports Server (NTRS)

Gorla, Rama S. R.

2004-01-01

An unsteady, three dimensional Navier-Stokes solution in rotating frame formulation for turbomachinery applications is presented. Casting the governing equations in a rotating frame enabled the freezing of grid motion and resulted in substantial savings in computer time. The turbine blade was computationally simulated and probabilistically evaluated in view of several uncertainties in the aerodynamic, structural, material and thermal variables that govern the turbine blade. The interconnection between the computational fluid dynamics code and finite element structural analysis code was necessary to couple the thermal profiles with the structural design. The stresses and their variations were evaluated at critical points on the Turbine blade. Cumulative distribution functions and sensitivity factors were computed for stress responses due to aerodynamic, geometric, mechanical and thermal random variables.

Effects of thermal fluctuations and fluid compressibility on hydrodynamic synchronization of microrotors at finite oscillatory Reynolds number: a multiparticle collision dynamics simulation study.

PubMed

Theers, Mario; Winkler, Roland G

2014-08-28

We investigate the emergent dynamical behavior of hydrodynamically coupled microrotors by means of multiparticle collision dynamics (MPC) simulations. The two rotors are confined in a plane and move along circles driven by active forces. Comparing simulations to theoretical results based on linearized hydrodynamics, we demonstrate that time-dependent hydrodynamic interactions lead to synchronization of the rotational motion. Thermal noise implies large fluctuations of the phase-angle difference between the rotors, but synchronization prevails and the ensemble-averaged time dependence of the phase-angle difference agrees well with analytical predictions. Moreover, we demonstrate that compressibility effects lead to longer synchronization times. In addition, the relevance of the inertia terms of the Navier-Stokes equation are discussed, specifically the linear unsteady acceleration term characterized by the oscillatory Reynolds number ReT. We illustrate the continuous breakdown of synchronization with the Reynolds number ReT, in analogy to the continuous breakdown of the scallop theorem with decreasing Reynolds number.

Thermal and petrologic constraints on the lower crustal melt accumulation in the Salton Sea Geothermal Field

NASA Astrophysics Data System (ADS)

Karakas, O.; Dufek, J.; Mangan, M.; Wright, H. M. N.

2014-12-01

Heat transfer in active volcanic areas is governed by complex coupling between tectonic and magmatic processes. These two processes provide unique imprints on the petrologic and thermal evolution of magma by controlling the geometry, depth, longevity, composition, and fraction of melt in the crust. The active volcanism, tectonic extension, and significantly high surface heat flow in Salton Sea Geothermal Field, CA, provides information about the dynamic heat transfer processes in its crust. The volcanism in the area is associated with tectonic extension over the last 500 ka, followed by subsidence and sedimentation at the surface level and dike emplacement in the lower crust. Although significant progress has been made describing the tectonic evolution and petrology of the erupted products of the Salton Buttes, their coupled control on the crustal heat transfer and feedback on the melt evolution remain unclear. To address these concepts, we develop a two-dimensional finite volume model and investigate the compositional and thermal evolution of the melt and crust in the Salton Sea Geothermal Field through a one-way coupled thermal model that accounts for tectonic extension, lower crustal magma emplacement, sedimentation, and subsidence. Through our simulations, we give quantitative estimates to the thermal and compositional evolution and longevity of the lower crustal melt source in the crustal section. We further compare the model results with petrologic constraints. Our thermal balance equations show that crustal melting is limited and the melt is dominated by mantle-derived material. Similarly, petrologic work on δ18O isotope ratios suggests fractional crystallization of basalt with minor crustal assimilation. In addition, we suggest scenarios for the melt fraction, composition, enthalpy release, geometry and depth of magma reservoirs, their temporal evolution, and the timescales of magmatic storage and evolution processes. These parameters provide the source conditions for the dynamics of surface volcanism and the presence of a geothermal system, which modify the thermal and mechanical structure of the crust.

CASL L2 milestone report : VUQ.Y1.03, %22Enable statistical sensitivity and UQ demonstrations for VERA.%22

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sung, Yixing; Adams, Brian M.; Witkowski, Walter R.

2011-04-01

The CASL Level 2 Milestone VUQ.Y1.03, 'Enable statistical sensitivity and UQ demonstrations for VERA,' was successfully completed in March 2011. The VUQ focus area led this effort, in close partnership with AMA, and with support from VRI. DAKOTA was coupled to VIPRE-W thermal-hydraulics simulations representing reactors of interest to address crud-related challenge problems in order to understand the sensitivity and uncertainty in simulation outputs with respect to uncertain operating and model form parameters. This report summarizes work coupling the software tools, characterizing uncertainties, selecting sensitivity and uncertainty quantification algorithms, and analyzing the results of iterative studies. These demonstration studies focusedmore » on sensitivity and uncertainty of mass evaporation rate calculated by VIPRE-W, a key predictor for crud-induced power shift (CIPS).« less

Electrically Heated Testing of the Kilowatt Reactor Using Stirling Technology (KRUSTY) Experiment Using a Depleted Uranium Core

NASA Technical Reports Server (NTRS)

Briggs, Maxwell H.; Gibson, Marc A.; Sanzi, James

2017-01-01

The Kilopower project aims to develop and demonstrate scalable fission-based power technology for systems capable of delivering 110 kW of electric power with a specific power ranging from 2.5 - 6.5 Wkg. This technology could enable high power science missions or could be used to provide surface power for manned missions to the Moon or Mars. NASA has partnered with the Department of Energys National Nuclear Security Administration, Los Alamos National Labs, and Y-12 National Security Complex to develop and test a prototypic reactor and power system using existing facilities and infrastructure. This technology demonstration, referred to as the Kilowatt Reactor Using Stirling TechnologY (KRUSTY), will undergo nuclear ground testing in the summer of 2017 at the Nevada Test Site. The 1 kWe variation of the Kilopower system was chosen for the KRUSTY demonstration. The concept for the 1 kWe flight system consist of a 4 kWt highly enriched Uranium-Molybdenum reactor operating at 800 degrees Celsius coupled to sodium heat pipes. The heat pipes deliver heat to the hot ends of eight 125 W Stirling convertors producing a net electrical output of 1 kW. Waste heat is rejected using titanium-water heat pipes coupled to carbon composite radiator panels. The KRUSTY test, based on this design, uses a prototypic highly enriched uranium-molybdenum core coupled to prototypic sodium heat pipes. The heat pipes transfer heat to two Advanced Stirling Convertors (ASC-E2s) and six thermal simulators, which simulate the thermal draw of full scale power conversion units. Thermal simulators and Stirling engines are gas cooled. The most recent project milestone was the completion of non-nuclear system level testing using an electrically heated depleted uranium (non-fissioning) reactor core simulator. System level testing at the Glenn Research Center (GRC) has validated performance predictions and has demonstrated system level operation and control in a test configuration that replicates the one to be used at the Device Assembly Facility (DAF) at the Nevada National Security Site. Fabrication, assembly, and testing of the depleted uranium core has allowed for higher fidelity system level testing at GRC, and has validated the fabrication methods to be used on the highly enriched uranium core that will supply heat for the DAF KRUSTY demonstration.

Numerical simulation study on thermal response of PBX 9501 to low velocity impact

NASA Astrophysics Data System (ADS)

Lou, Jianfeng; Zhou, Tingting; Zhang, Yangeng; Zhang, Xiaoli

2017-01-01

Impact sensitivity of solid high explosives, an important index in evaluating the safety and performance of explosives, is an important concern in handling, storage, and shipping procedures. It is a great threat for either bare dynamite or shell charge when subjected to low velocity impact involved in traffic accidents or charge piece drops. The Steven test is an effective tool to study the relative sensitivity of various explosives. In this paper, we built the numerical simulation method involving mechanical, thermo and chemical properties of Steven test based on the thermo-mechanical coupled material model. In the model, the stress-strain relationship is described by dynamic plasticity model, the thermal effect of the explosive induced by impact is depicted by isotropic thermal material model, the chemical reaction of explosives is described by Arrhenius reaction rate law, and the effects of heating and melting on mechanical properties and thermal properties of materials are also taken into account. Specific to the standard Steven test, the thermal and mechanical response rules of PBX 9501 at various impact velocities were numerically analyzed, and the threshold velocity of explosive initiation was obtained, which is in good agreement with experimental results. In addition, the effect of confine condition of test device to the threshold velocity was explored.

High coupling efficiency of foam spherical hohlraum driven by 2ω laser light

NASA Astrophysics Data System (ADS)

Chen, Yao-Hua; Lan, Ke; Zheng, Wanguo; Campbell, E. M.

2018-02-01

The majority of solid state laser facilities built for laser fusion research irradiate targets with third harmonic light (0.35 μm) up-converted from the fundamental Nd wavelength at 1.05 μm. The motivation for this choice of wavelength is improved laser-plasma coupling. Significant disadvantages to this choice of wavelength are the reduced damage threshold of optical components and the efficiency of energy conversion to third harmonic light. Both these issues are significantly improved if second harmonic (0.53 μm) radiation is used, but theory and experiments have shown lower optical to x-ray energy conversion efficiency and increased levels of laser-plasma instabilities, resulting in reduced laser-target coupling. In this letter, we propose to use a 0.53 μm laser for the laser ignition facilities and use a low density foam wall to increase the coupling efficiency from the laser to the capsule and present two-dimensional radiation-hydrodynamic simulations of 0.53 μm laser light irradiating an octahedral-spherical hohlraum with a low density foam wall. The simulations show that the reduced optical depth of the foam wall leads to an increased laser-light conversion into thermal x-rays and about 10% higher radiation flux on the capsule than that achieved with 0.35 μm light irradiating a solid density wall commonly used in laser indirect drive fusion research. The details of the simulations and their implications and suggestions for wavelength scaling coupled with innovative hohlraum designs will be discussed.

Prediction of Thermal Transport Properties of Materials with Microstructural Complexity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Youping

This project aims at overcoming the major obstacle standing in the way of progress in dynamic multiscale simulation, which is the lack of a concurrent atomistic-continuum method that allows phonons, heat and defects to pass through the atomistic-continuum interface. The research has led to the development of a concurrent atomistic-continuum (CAC) methodology for multiscale simulations of materials microstructural, mechanical and thermal transport behavior. Its efficacy has been tested and demonstrated through simulations of dislocation dynamics and phonon transport coupled with microstructural evolution in a variety of materials and through providing visual evidences of the nature of phonon transport, such asmore » showing the propagation of heat pulses in single and polycrystalline solids is partially ballistic and partially diffusive. In addition to providing understanding on phonon scattering with phase interface and with grain boundaries, the research has contributed a multiscale simulation tool for understanding of the behavior of complex materials and has demonstrated the capability of the tool in simulating the dynamic, in situ experimental studies of nonequilibrium transient transport processes in material samples that are at length scales typically inaccessible by atomistically resolved methods.« less

Towards a covariance matrix of CAB model parameters for H(H2O)

NASA Astrophysics Data System (ADS)

Scotta, Juan Pablo; Noguere, Gilles; Damian, José Ignacio Marquez

2017-09-01

Preliminary results on the uncertainties of hydrogen into light water thermal scattering law of the CAB model are presented. It was done through a coupling between the nuclear data code CONRAD and the molecular dynamic simulations code GROMACS. The Generalized Least Square method was used to adjust the model parameters on evaluated data and generate covariance matrices between the CAB model parameters.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jingchao, E-mail: zhang@unl.edu, E-mail: yyue@whu.edu.cn; Hong, Yang; Yue, Yanan, E-mail: zhang@unl.edu, E-mail: yyue@whu.edu.cn

As the dimensions of nanocircuits and nanoelectronics shrink, thermal energies are being generated in more confined spaces, making it extremely important and urgent to explore for efficient heat dissipation pathways. In this work, the phonon energy transport across graphene and hexagonal boron-nitride (h-BN) interface is studied using classic molecular dynamics simulations. Effects of temperature, interatomic bond strength, heat flux direction, and functionalization on interfacial thermal transport are investigated. It is found out that by hydrogenating graphene in the hybrid structure, the interfacial thermal resistance (R) between graphene and h-BN can be reduced by 76.3%, indicating an effective approach to manipulatemore » the interfacial thermal transport. Improved in-plane/out-of-plane phonon couplings and broadened phonon channels are observed in the hydrogenated graphene system by analyzing its phonon power spectra. The reported R results monotonically decrease with temperature and interatomic bond strengths. No thermal rectification phenomenon is observed in this interfacial thermal transport. Results reported in this work give the fundamental knowledge on graphene and h-BN thermal transport and provide rational guidelines for next generation thermal interface material designs.« less

Geomechanical Analysis of Underground Coal Gasification Reactor Cool Down for Subsequent CO2 Storage

NASA Astrophysics Data System (ADS)

Sarhosis, Vasilis; Yang, Dongmin; Kempka, Thomas; Sheng, Yong

2013-04-01

Underground coal gasification (UCG) is an efficient method for the conversion of conventionally unmineable coal resources into energy and feedstock. If the UCG process is combined with the subsequent storage of process CO2 in the former UCG reactors, a near-zero carbon emission energy source can be realised. This study aims to present the development of a computational model to simulate the cooling process of UCG reactors in abandonment to decrease the initial high temperature of more than 400 °C to a level where extensive CO2 volume expansion due to temperature changes can be significantly reduced during the time of CO2 injection. Furthermore, we predict the cool down temperature conditions with and without water flushing. A state of the art coupled thermal-mechanical model was developed using the finite element software ABAQUS to predict the cavity growth and the resulting surface subsidence. In addition, the multi-physics computational software COMSOL was employed to simulate the cavity cool down process which is of uttermost relevance for CO2 storage in the former UCG reactors. For that purpose, we simulated fluid flow, thermal conduction as well as thermal convection processes between fluid (water and CO2) and solid represented by coal and surrounding rocks. Material properties for rocks and coal were obtained from extant literature sources and geomechanical testings which were carried out on samples derived from a prospective demonstration site in Bulgaria. The analysis of results showed that the numerical models developed allowed for the determination of the UCG reactor growth, roof spalling, surface subsidence and heat propagation during the UCG process and the subsequent CO2 storage. It is anticipated that the results of this study can support optimisation of the preparation procedure for CO2 storage in former UCG reactors. The proposed scheme was discussed so far, but not validated by a coupled numerical analysis and if proved to be applicable it could provide a significant optimisation of the UCG process by means of CO2 storage efficiency. The proposed coupled UCG-CCS scheme allows for meeting EU targets for greenhouse gas emissions and increases the coal yield otherwise impossible to exploit.

Incorporating Water Boiling in the Numerical Modelling of Thermal Remediation by Electrical Resistance Heating

NASA Astrophysics Data System (ADS)

Molnar, I. L.; Krol, M.; Mumford, K. G.

2017-12-01

Developing numerical models for subsurface thermal remediation techniques - such as Electrical Resistive Heating (ERH) - that include multiphase processes such as in-situ water boiling, gas production and recovery has remained a significant challenge. These subsurface gas generation and recovery processes are driven by physical phenomena such as discrete and unstable gas (bubble) flow as well as water-gas phase mass transfer rates during bubble flow. Traditional approaches to multiphase flow modeling soil remain unable to accurately describe these phenomena. However, it has been demonstrated that Macroscopic Invasion Percolation (MIP) can successfully simulate discrete and unstable gas transport1. This has lead to the development of a coupled Electro Thermal-MIP Model2 (ET-MIP) capable of simulating multiple key processes in the thermal remediation and gas recovery process including: electrical heating of soil and groundwater, water flow, geological heterogeneity, heating-induced buoyant flow, water boiling, gas bubble generation and mobilization, contaminant mass transport and removal, and additional mechanisms such as bubble collapse in cooler regions. This study presents the first rigorous validation of a coupled ET-MIP model against two-dimensional water boiling and water/NAPL co-boiling experiments3. Once validated, the model was used to explore the impact of water and co-boiling events and subsequent gas generation and mobilization on ERH's ability to 1) generate, expand and mobilize gas at boiling and NAPL co-boiling temperatures, 2) efficiently strip contaminants from soil during both boiling and co-boiling. In addition, a quantification of the energy losses arising from steam generation during subsurface water boiling was examined with respect to its impact on the efficacy of thermal remediation. While this study specifically targets ERH, the study's focus on examining the fundamental mechanisms driving thermal remediation (e.g., water boiling) renders these results applicable to a wide range of thermal and gas-based remediation techniques. 1. Mumford, K. G., et al. (2010), Adv. Water Resour. 2010, 33 (4), 504-513. 2. Krol, M. M., et al. (2011), Adv. Water Resour. 2011, 34 (4), 537-549. 3. Hegele, P. R. and Mumford, K. G. Journal of Contaminant Hydrology 2014, 165, 24-36.

Using Multi-scale Dynamic Rupture Models to Improve Ground Motion Estimates: ALCF-2 Early Science Program Technical Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ely, Geoffrey P.

2013-10-31

This project uses dynamic rupture simulations to investigate high-frequency seismic energy generation. The relevant phenomena (frictional breakdown, shear heating, effective normal-stress fluctuations, material damage, etc.) controlling rupture are strongly interacting and span many orders of magnitude in spatial scale, requiring highresolution simulations that couple disparate physical processes (e.g., elastodynamics, thermal weakening, pore-fluid transport, and heat conduction). Compounding the computational challenge, we know that natural faults are not planar, but instead have roughness that can be approximated by power laws potentially leading to large, multiscale fluctuations in normal stress. The capacity to perform 3D rupture simulations that couple these processes willmore » provide guidance for constructing appropriate source models for high-frequency ground motion simulations. The improved rupture models from our multi-scale dynamic rupture simulations will be used to conduct physicsbased (3D waveform modeling-based) probabilistic seismic hazard analysis (PSHA) for California. These calculation will provide numerous important seismic hazard results, including a state-wide extended earthquake rupture forecast with rupture variations for all significant events, a synthetic seismogram catalog for thousands of scenario events and more than 5000 physics-based seismic hazard curves for California.« less

Numerical simulations of clinical focused ultrasound functional neurosurgery

NASA Astrophysics Data System (ADS)

Pulkkinen, Aki; Werner, Beat; Martin, Ernst; Hynynen, Kullervo

2014-04-01

A computational model utilizing grid and finite difference methods were developed to simulate focused ultrasound functional neurosurgery interventions. The model couples the propagation of ultrasound in fluids (soft tissues) and solids (skull) with acoustic and visco-elastic wave equations. The computational model was applied to simulate clinical focused ultrasound functional neurosurgery treatments performed in patients suffering from therapy resistant chronic neuropathic pain. Datasets of five patients were used to derive the treatment geometry. Eight sonications performed in the treatments were then simulated with the developed model. Computations were performed by driving the simulated phased array ultrasound transducer with the acoustic parameters used in the treatments. Resulting focal temperatures and size of the thermal foci were compared quantitatively, in addition to qualitative inspection of the simulated pressure and temperature fields. This study found that the computational model and the simulation parameters predicted an average of 24 ± 13% lower focal temperature elevations than observed in the treatments. The size of the simulated thermal focus was found to be 40 ± 13% smaller in the anterior-posterior direction and 22 ± 14% smaller in the inferior-superior direction than in the treatments. The location of the simulated thermal focus was off from the prescribed target by 0.3 ± 0.1 mm, while the peak focal temperature elevation observed in the measurements was off by 1.6 ± 0.6 mm. Although the results of the simulations suggest that there could be some inaccuracies in either the tissue parameters used, or in the simulation methods, the simulations were able to predict the focal spot locations and temperature elevations adequately for initial treatment planning performed to assess, for example, the feasibility of sonication. The accuracy of the simulations could be improved if more precise ultrasound tissue properties (especially of the skull bone) could be obtained.

Energy simulation and optimization for a small commercial building through Modelica

NASA Astrophysics Data System (ADS)

Rivas, Bryan

Small commercial buildings make up the majority of buildings in the United States. Energy consumed by these buildings is expected to drastically increase in the next few decades, with a large percentage of the energy consumed attributed to cooling systems. This work presents the simulation and optimization of a thermostat schedule to minimize energy consumption in a small commercial building test bed during the cooling season. The simulation occurs through the use of the multi-engineering domain Dymola environment based on the Modelica open source programming language and is optimized with the Java based optimization program GenOpt. The simulation uses both physically based modeling utilizing heat transfer principles for the building and regression analysis for energy consumption. GenOpt is dynamically coupled to Dymola through various interface files. There are very few studies that have coupled GenOpt to a building simulation program and even fewer studies have used Dymola for building simulation as extensively as the work presented here. The work presented proves Dymola as a viable alternative to other building simulation programs such as EnergyPlus and MatLab. The model developed is used to simulate the energy consumption of a test bed, a commissioned real world small commercial building, while maintaining indoor thermal comfort. Potential applications include smart or intelligent building systems, predictive simulation of small commercial buildings, and building diagnostics.

USING TIME VARIANT VOLTAGE TO CALCULATE ENERGY CONSUMPTION AND POWER USE OF BUILDING SYSTEMS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Makhmalbaf, Atefe; Augenbroe , Godfried

2015-12-09

Buildings are the main consumers of electricity across the world. However, in the research and studies related to building performance assessment, the focus has been on evaluating the energy efficiency of buildings whereas the instantaneous power efficiency has been overlooked as an important aspect of total energy consumption. As a result, we never developed adequate models that capture both thermal and electrical characteristics (e.g., voltage) of building systems to assess the impact of variations in the power system and emerging technologies of the smart grid on buildings energy and power performance and vice versa. This paper argues that the powermore » performance of buildings as a function of electrical parameters should be evaluated in addition to systems’ mechanical and thermal behavior. The main advantage of capturing electrical behavior of building load is to better understand instantaneous power consumption and more importantly to control it. Voltage is one of the electrical parameters that can be used to describe load. Hence, voltage dependent power models are constructed in this work and they are coupled with existing thermal energy models. Lack of models that describe electrical behavior of systems also adds to the uncertainty of energy consumption calculations carried out in building energy simulation tools such as EnergyPlus, a common building energy modeling and simulation tool. To integrate voltage-dependent power models with thermal models, the thermal cycle (operation mode) of each system was fed into the voltage-based electrical model. Energy consumption of systems used in this study were simulated using EnergyPlus. Simulated results were then compared with estimated and measured power data. The mean square error (MSE) between simulated, estimated, and measured values were calculated. Results indicate that estimated power has lower MSE when compared with measured data than simulated results. Results discussed in this paper will illustrate the significance of enhancing building energy models with electrical characteristics. This would support different studies such as those related to modernization of the power system that require micro scale building-grid interaction, evaluating building energy efficiency with power efficiency considerations, and also design and control decisions that rely on accuracy of building energy simulation results.« less

Two orders of magnitude reduction in silicon membrane thermal conductivity by resonance hybridizations

NASA Astrophysics Data System (ADS)

Honarvar, Hossein; Hussein, Mahmoud I.

2018-05-01

The thermal conductivity of a freestanding single-crystal silicon membrane may be reduced significantly by attaching nanoscale pillars on one or both surfaces. Atomic resonances of the nanopillars form vibrons that intrinsically couple with the base membrane phonons causing mode hybridization and flattening at each coupling location in the phonon band structure. This in turn causes group velocity reductions of existing phonons, in addition to introducing new modes that get excited but are localized and do not transport energy. The nanopillars also reduce the phonon lifetimes at and around the hybridization zones. These three effects, which in principle may be tuned to take place across silicon's full spectrum, lead to a lowering of the in-plane thermal conductivity in the base membrane. Using equilibrium molecular dynamics simulations, and utilizing the concept of vibrons compensation, we report a staggering two orders of magnitude reduction in the thermal conductivity at room temperature by this mechanism. Specifically, a reduction of a factor of 130 is demonstrated for a roughly 10-nm-thick pillared membrane compared to a corresponding unpillared membrane. This amounts to a record reduction of a factor of 481 compared to bulk crystalline silicon and nearly a factor of 2 compared to bulk amorphous silicon. These results are obtained while providing a path for preserving performance with upscaling.

Phase-change wallboard and mechanical night ventilation in commercial buildings: Potential for HVAC system downsizing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stetiu, C.; Feustel, H.E.

1998-07-01

As thermal storage media, phase-change materials (PCMs) such as paraffin, eutectic salts, etc. offer an order-of-magnitude increase in thermal storage capacity, and their discharge is almost isothermal. By embedding PCMs in dypsum board, plaster, or other wall-covering materials, the building structure acquires latent storage properties. Structural elements containing PCMs can store large amounts of energy while maintaining the indoor temperature within a relatively narrow range. As heat storage takes place inside the building where the loads occur, rather than at a central exterior location, the internal loads are removed without the need for additional transport energy. Distributed latent storage canmore » thus be used to reduce the peak power demand of a building, downsize the cooling system, and/or switch to low-energy cooling sources. The authors used RADCOOL, a thermal building simulation program based on the finite difference approach, to numerically evaluate the thermal performance of PCM wallboard coupled with mechanical night ventilation in office buildings offers the opportunity for system downsizing in climates where the outside air temperature drops below 18 C at night. In climates where the outside air temperature remains above 19 C at night, the use of PCM wallboard should be coupled with discharge mechanisms other than mechanical night ventilation with outside air.« less

Simulated Seasonal Spatio-Temporal Patterns of Soil Moisture, Temperature, and Net Radiation in a Deciduous Forest

NASA Technical Reports Server (NTRS)

Ballard, Jerrell R., Jr.; Howington, Stacy E.; Cinnella, Pasquale; Smith, James A.

2011-01-01

The temperature and moisture regimes in a forest are key components in the forest ecosystem dynamics. Observations and studies indicate that the internal temperature distribution and moisture content of the tree influence not only growth and development, but onset and cessation of cambial activity [1], resistance to insect predation[2], and even affect the population dynamics of the insects [3]. Moreover, temperature directly affects the uptake and metabolism of population from the soil into the tree tissue [4]. Additional studies show that soil and atmospheric temperatures are significant parameters that limit the growth of trees and impose treeline elevation limitation [5]. Directional thermal infrared radiance effects have long been observed in natural backgrounds [6]. In earlier work, we illustrated the use of physically-based models to simulate directional effects in thermal imaging [7-8]. In this paper, we illustrated the use of physically-based models to simulate directional effects in thermal, and net radiation in a adeciduous forest using our recently developed three-dimensional, macro-scale computational tool that simulates the heat and mass transfer interaction in a soil-root-stem systems (SRSS). The SRSS model includes the coupling of existing heat and mass transport tools to stimulate the diurnal internal and external temperatures, internal fluid flow and moisture distribution, and heat flow in the system.

High-resolution coupled physics solvers for analysing fine-scale nuclear reactor design problems

DOE PAGES

Mahadevan, Vijay S.; Merzari, Elia; Tautges, Timothy; ...

2014-06-30

An integrated multi-physics simulation capability for the design and analysis of current and future nuclear reactor models is being investigated, to tightly couple neutron transport and thermal-hydraulics physics under the SHARP framework. Over several years, high-fidelity, validated mono-physics solvers with proven scalability on petascale architectures have been developed independently. Based on a unified component-based architecture, these existing codes can be coupled with a mesh-data backplane and a flexible coupling-strategy-based driver suite to produce a viable tool for analysts. The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in ordermore » to reduce the overall numerical uncertainty while leveraging available computational resources. Finally, the coupling methodology and software interfaces of the framework are presented, along with verification studies on two representative fast sodium-cooled reactor demonstration problems to prove the usability of the SHARP framework.« less

Onset of fractional-order thermal convection in porous media

NASA Astrophysics Data System (ADS)

Karani, Hamid; Rashtbehesht, Majid; Huber, Christian; Magin, Richard L.

2017-12-01

The macroscopic description of buoyancy-driven thermal convection in porous media is governed by advection-diffusion processes, which in the presence of thermophysical heterogeneities fail to predict the onset of thermal convection and the average rate of heat transfer. This work extends the classical model of heat transfer in porous media by including a fractional-order advective-dispersive term to account for the role of thermophysical heterogeneities in shifting the thermal instability point. The proposed fractional-order model overcomes limitations of the common closure approaches for the thermal dispersion term by replacing the diffusive assumption with a fractional-order model. Through a linear stability analysis and Galerkin procedure, we derive an analytical formula for the critical Rayleigh number as a function of the fractional model parameters. The resulting critical Rayleigh number reduces to the classical value in the absence of thermophysical heterogeneities when solid and fluid phases have similar thermal conductivities. Numerical simulations of the coupled flow equation with the fractional-order energy model near the primary bifurcation point confirm our analytical results. Moreover, data from pore-scale simulations are used to examine the potential of the proposed fractional-order model in predicting the amount of heat transfer across the porous enclosure. The linear stability and numerical results show that, unlike the classical thermal advection-dispersion models, the fractional-order model captures the advance and delay in the onset of convection in porous media and provides correct scalings for the average heat transfer in a thermophysically heterogeneous medium.

Modeling of Propagation of Interacting Cracks Under Hydraulic Pressure Gradient

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Hai; Mattson, Earl Douglas; Podgorney, Robert Karl

A robust and reliable numerical model for fracture initiation and propagation, which includes the interactions among propagating fractures and the coupling between deformation, fracturing and fluid flow in fracture apertures and in the permeable rock matrix, would be an important tool for developing a better understanding of fracturing behaviors of crystalline brittle rocks driven by thermal and (or) hydraulic pressure gradients. In this paper, we present a physics-based hydraulic fracturing simulator based on coupling a quasi-static discrete element model (DEM) for deformation and fracturing with conjugate lattice network flow model for fluid flow in both fractures and porous matrix. Fracturingmore » is represented explicitly by removing broken bonds from the network to represent microcracks. Initiation of new microfractures and growth and coalescence of the microcracks leads to the formation of macroscopic fractures when external and/or internal loads are applied. The coupled DEM-network flow model reproduces realistic growth pattern of hydraulic fractures. In particular, simulation results of perforated horizontal wellbore clearly demonstrate that elastic interactions among multiple propagating fractures, fluid viscosity, strong coupling between fluid pressure fluctuations within fractures and fracturing, and lower length scale heterogeneities, collectively lead to complicated fracturing patterns.« less

A coupled mechanical-chemical model for reflecting the influence of stress on oxidation reactions in thermal barrier coating

NASA Astrophysics Data System (ADS)

Chen, Lin; Yueming, Li

2018-06-01

In this paper, a coupled mechanical-chemical model is established based on the thermodynamic framework, in which the contribution of chemical expansion to free energy is introduced. The stress-dependent chemical potential equilibrium at the gas-solid interface and the stress gradient-dependent diffusion equation as well as a so-called generalized force which is conjugate to the oxidation rate are derived from the proposed model, which could reflect the influence of stresses on the oxidation reaction. Based on the proposed coupled mechanical-chemical model, a user element subroutine is developed in ABAQUS. The numerical simulation of the high temperature oxidation in the thermal barrier coating is carried out to verify the accuracy of the proposed model, and then the influence of stresses on the oxidation reaction is investigated. In thermally grown oxide, the considerable stresses would be induced by permanent volumetric swelling during the oxidation. The stresses play an important role in the chemical potential equilibrium at the gas-solid interface and strongly affect the oxidation reaction. The gradient of the stresses, however, only occurs in the extremely thin oxidation front layer, which plays a very limited role in the oxidation reaction. The generalized force could be divided into the stress-dependent and the stress-independent parts. Comparing with the stress-independent part, the stress-dependent part is smaller, which has little influence on oxidation reaction.

Quantum Thermal Transistor.

PubMed

Joulain, Karl; Drevillon, Jérémie; Ezzahri, Younès; Ordonez-Miranda, Jose

2016-05-20

We demonstrate that a thermal transistor can be made up with a quantum system of three interacting subsystems, coupled to a thermal reservoir each. This thermal transistor is analogous to an electronic bipolar one with the ability to control the thermal currents at the collector and at the emitter with the imposed thermal current at the base. This is achieved by determining the heat fluxes by means of the strong-coupling formalism. For the case of three interacting spins, in which one of them is coupled to the other two, that are not directly coupled, it is shown that high amplification can be obtained in a wide range of energy parameters and temperatures. The proposed quantum transistor could, in principle, be used to develop devices such as a thermal modulator and a thermal amplifier in nanosystems.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sierra Thermal /Fluid Team

The SIERRA Low Mach Module: Fuego along with the SIERRA Participating Media Radiation Module: Syrinx, henceforth referred to as Fuego and Syrinx, respectively, are the key elements of the ASCI fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Syrinx represents the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the coremore » architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.« less

Global land-atmosphere coupling associated with cold climate processes

NASA Astrophysics Data System (ADS)

Dutra, Emanuel

This dissertation constitutes an assessment of the role of cold processes, associated with snow cover, in controlling the land-atmosphere coupling. The work was based on model simulations, including offline simulations with the land surface model HTESSEL, and coupled atmosphere simulations with the EC-EARTH climate model. A revised snow scheme was developed and tested in HTESSEL and EC-EARTH. The snow scheme is currently operational at the European Centre for Medium-Range Weather Forecasts integrated forecast system, and in the default configuration of EC-EARTH. The improved representation of the snowpack dynamics in HTESSEL resulted in improvements in the near surface temperature simulations of EC-EARTH. The new snow scheme development was complemented with the option of multi-layer version that showed its potential in modeling thick snowpacks. A key process was the snow thermal insulation that led to significant improvements of the surface water and energy balance components. Similar findings were observed when coupling the snow scheme to lake ice, where lake ice duration was significantly improved. An assessment on the snow cover sensitivity to horizontal resolution, parameterizations and atmospheric forcing within HTESSEL highlighted the role of the atmospheric forcing accuracy and snowpack parameterizations in detriment of horizontal resolution over flat regions. A set of experiments with and without free snow evolution was carried out with EC-EARTH to assess the impact of the interannual variability of snow cover on near surface and soil temperatures. It was found that snow cover interannual variability explained up to 60% of the total interannual variability of near surface temperature over snow covered regions. Although these findings are model dependent, the results showed consistency with previously published work. Furthermore, the detailed validation of the snow dynamics simulations in HTESSEL and EC-EARTH guarantees consistency of the results.

A 3D Joint Simulation Platform for Multiband_A Case Study in the Huailai Soybean and Maize Field

NASA Astrophysics Data System (ADS)

Zhang, Y.; Qinhuo, L.; Du, Y.; Huang, H.

2016-12-01

Canopy radiation and scattering signal contains abundant vegetation information. One can quantitatively retrieve the biophysical parameters by building canopy radiation and scattering models and inverting them. Joint simulation of the 3D models for different spectral (frequency) domains may produce complementary advantages and improves the precision. However, most of the currently models were based on one or two spectral bands (e.g. visible and thermal inferred bands, or visible and microwave bands). This manuscript established a 3D radiation and scattering simulation system which can simulate the BRDF, DBT, and backscattering coefficient based on the same structural description. The system coupled radiosity graphic model, Thermal RGM model and coherent microwave model by Yang Du for VIS/NIR, TIR, and MW, respectively. The models simulating the leaf spectral characteristics, component temperatures and dielectric properties were also coupled into the joint simulation system to convert the various parameters into fewer but more unified parameters. As a demonstration of our system, we applied the established system to simulate a mixed field with soybeans and maize based on the Huailai experiment data in August, 2014. With the help of Xfrog software, we remodeled soybean and maize in ".obj" and ".mtl" format. We extracted the structure information of the soybean and maize by statistics of the ".obj" files. We did simulations on red, NIR, TIR, C and L band. The simulation results were validated by the multi-angular observation data of Huailai experiment. Also, the spacial distribution (horizontal and vertical), leaf area index (LAI), leaf angle distribution (LAD), vegetation water content (VWC) and the incident observation geometry were analyzed in details. Validated by the experiment data, we indicate that the simulations of multiband were quite well. Because the crops were planted in regular rows and the maize and soybeans were with different height, different LAI, different LAD and different VWC, we did the sensitive analysis by changing on one of them and fixed the other parameters. The analysis showed that the parameters influenced the radiation and scattering signal of different spectral (frequency) with varying degrees.

Reliability of Raman measurements of thermal conductivity of single-layer graphene due to selective electron-phonon coupling: A first-principles study

NASA Astrophysics Data System (ADS)

Vallabhaneni, Ajit K.; Singh, Dhruv; Bao, Hua; Murthy, Jayathi; Ruan, Xiulin

2016-03-01

Raman spectroscopy has been widely used to measure thermal conductivity (κ ) of two-dimensional (2D) materials such as graphene. This method is based on a well-accepted assumption that different phonon polarizations are in near thermal equilibrium. However, in this paper, we show that, in laser-irradiated single-layer graphene, different phonon polarizations are in strong nonequilibrium, using predictive simulations based on first principles density functional perturbation theory and a multitemperature model. We first calculate the electron cooling rate due to phonon scattering as a function of the electron and phonon temperatures, and the results clearly illustrate that optical phonons dominate the hot electron relaxation process. We then use these results in conjunction with the phonon scattering rates computed using perturbation theory to develop a multitemperature model and resolve the spatial temperature distributions of the energy carriers in graphene under steady-state laser irradiation. Our results show that electrons, optical phonons, and acoustic phonons are in strong nonequilibrium, with the flexural acoustic (ZA) phonons showing the largest nonequilibrium to other phonon modes, mainly due to their weak coupling to other carriers in suspended graphene. Since ZA phonons are the main heat carriers in graphene, we estimate that neglecting this nonequilibrium leads to underestimation of thermal conductivity in experiments at room temperature by a factor of 1.35 to 2.6, depending on experimental conditions and assumptions used. Underestimation is also expected in Raman measurements of other 2D materials when the optical-acoustic phonon coupling is weak.

Effect of thermal radiation and chemical reaction on non-Newtonian fluid through a vertically stretching porous plate with uniform suction

NASA Astrophysics Data System (ADS)

Khan, Zeeshan; Khan, Ilyas; Ullah, Murad; Tlili, I.

2018-06-01

In this work, we discuss the unsteady flow of non-Newtonian fluid with the properties of heat source/sink in the presence of thermal radiation moving through a binary mixture embedded in a porous medium. The basic equations of motion including continuity, momentum, energy and concentration are simplified and solved analytically by using Homotopy Analysis Method (HAM). The energy and concentration fields are coupled with Dankohler and Schmidt numbers. By applying suitable transformation, the coupled nonlinear partial differential equations are converted to couple ordinary differential equations. The effect of physical parameters involved in the solutions of velocity, temperature and concentration profiles are discussed by assign numerical values and results obtained shows that the velocity, temperature and concentration profiles are influenced appreciably by the radiation parameter, Prandtl number, suction/injection parameter, reaction order index, solutal Grashof number and the thermal Grashof. It is observed that the non-Newtonian parameter H leads to an increase in the boundary layer thickness. It was established that the Prandtl number decreases thee thermal boundary layer thickness which helps in maintaining system temperature of the fluid flow. It is observed that the temperature profiles higher for heat source parameter and lower for heat sink parameter throughout the boundary layer. Fromm this simulation it is analyzed that an increase in the Schmidt number decreases the concentration boundary layer thickness. Additionally, for the sake of comparison numerical method (ND-Solve) and Adomian Decomposition Method are also applied and good agreement is found.

Noise analysis for near-field 3D FM-CW radar imaging systems

NASA Astrophysics Data System (ADS)

Sheen, David M.

2015-05-01

Near field radar imaging systems are used for demanding security applications including concealed weapon detection in airports and other high-security venues. Despite the near-field operation, phase noise and thermal noise can limit performance in several ways. Practical imaging systems can employ arrays with low gain antennas and relatively large signal distribution networks that have substantial losses which limit transmit power and increase the effective noise figure of the receiver chain, resulting in substantial thermal noise. Phase noise can also limit system performance. The signal coupled from transmitter to receiver is much larger than expected target signals. Phase noise from this coupled signal can set the system noise floor if the oscillator is too noisy. Frequency modulated continuous wave (FM-CW) radar transceivers used in short range systems are relatively immune to the effects of the coupled phase noise due to range correlation effects. This effect can reduce the phase-noise floor such that it is below the thermal noise floor for moderate performance oscillators. Phase noise is also manifested in the range response around bright targets, and can cause smaller targets to be obscured. Noise in synthetic aperture imaging systems is mitigated by the processing gain of the system. In this paper, the effects of thermal noise, phase noise, and processing gain are analyzed in the context of a near field 3-D FM-CW imaging radar as might be used for concealed weapon detection. In addition to traditional frequency domain analysis, a time-domain simulation is employed to graphically demonstrate the effect of these noise sources on a fast-chirping FM-CW system.

The formation of magnetic cavities in comets

NASA Technical Reports Server (NTRS)

Klopman, Z.; Eviatar, A.; Goldstein, R.

1992-01-01

In this paper a unidimensional model for the formation of magnetic cavities in comets is presented. This model includes ion-neutral friction, dissociative recombination, photoionization, and thermal energetic ion pressure coupled with a nonconstant velocity profile which was chosen to simulate the flow pattern. The model explains the thermal ion population profile. Conditions under which a cavity may not form are discussed. In the paper the roles of the various processes are studied, and it is shown that focusing on ion-neutral friction as the major process in the creation of the cavity is not in general correct. In the last part of the paper, the limitations of the model are delineated.

Transient variation of martian ground-atmosphere thermal boundary layer structure.

NASA Technical Reports Server (NTRS)

Pallmann, A. J.; Dannevik, W. P.

1972-01-01

Results of a numerical simulation of the diurnal redistribution of temperature by radiative and molecular-conductive processes in the Martian soil-atmosphere system. An attempt is made to assess the importance of atmospheric molecular conduction near the surface and to estimate the characteristic depth of the diurnal temperature wave. The computational results are found to indicate a dual structure in the diurnal temperature wave propagation pattern, with a diffusive-type wave in the lowest 150 m superimposed on a radiatively induced disturbance with a characteristic scale of 1.8 km. Atmospheric molecular thermal conduction typically accounts for about 15% of the total heating/cooling in the lowest 25 m. Thermal conduction in both the soil and atmosphere appears to be an important factor in the thermal coupling of these subsystems. A free-convection regime in the conduction layer is predicted by the model for about five hours of the Martian day.

Short Pulse Laser Absorption and Energy Partition at Relativistic Laser Intensities

NASA Astrophysics Data System (ADS)

Ping, Yuan

2005-10-01

We present the first absorption measurements at laser intensity between 10^17 to 10^20 W/cm^2 using an intergrating sphere and a suite of diagnostics that measures scale length, hot electrons and laser harmonics. A much-enhanced absorption in the regime of relativestic electron heating was observed. Furthermore, we present measurements on the partitioning of absorbed laser energy into thermal and non-thermal electrons when illuminating solid targets from 10^17 to 10^19 W/cm^2. This was measured using a sub-picosecond x-ray streak camera interfaced to a dual crystal von H'amos crystal spectrograph, a spherical crystal x-ray imaging spectrometer, an electron spectrometer and optical spectrometer. Our data suggests an intensity dependent energy-coupling transition with greater energy portion into non-thermal electrons that rapidly transition to thermal electrons. The details of these experimental results and modeling simulations will be presented.

Coupled Thermo-Hydro-Mechanical Numerical Framework for Simulating Unconventional Formations

NASA Astrophysics Data System (ADS)

Garipov, T. T.; White, J. A.; Lapene, A.; Tchelepi, H.

2016-12-01

Unconventional deposits are found in all world oil provinces. Modeling these systems is challenging, however, due to complex thermo-hydro-mechanical processes that govern their behavior. As a motivating example, we consider in situ thermal processing of oil shale deposits. When oil shale is heated to sufficient temperatures, kerogen can be converted to oil and gas products over a relatively short timespan. This phase change dramatically impact both the mechanical and hydrologic properties of the rock, leading to strongly coupled THMC interactions. Here, we present a numerical framework for simulating tightly-coupled chemistry, geomechanics, and multiphase flow within a reservoir simulator (the AD-GPRS General Purpose Research Simulator). We model changes in constitutive behavior of the rock using a thermoplasticity model that accounts for microstructural evolution. The multi-component, multiphase flow and transport processes of both mass and heat are modeled at the macroscopic (e.g., Darcy) scale. The phase compositions and properties are described by a cubic equation of state; Arrhenius-type chemical reactions are used to represent kerogen conversion. The system of partial differential equations is discretized using a combination of finite-volumes and finite-elements, respectively, for the flow and mechanics problems. Fully implicit and sequentially implicit method are used to solve resulting nonlinear problem. The proposed framework is verified against available analytical and numerical benchmark cases. We demonstrate the efficiency, performance, and capabilities of the proposed simulation framework by analyzing near well deformation in an oil shale formation.

Analysis of the impact of modification of cold crucible design on the efficiency of the cold crucible induction furnace

NASA Astrophysics Data System (ADS)

Przylucki, R.; Golak, S.; Bulinski, P.; Smolka, J.; Palacz, M.; Siwiec, G.; Lipart, J.; Blacha, L.

2018-05-01

The article includes numerical simulation results for two induction furnace with cold crucible (IFCC). Induction furnaces differ in cold crucible design, while the inductor geometry was preserved for both variants. Numerical simulations were conducted as three dimensional one, with coupled analysis of electromagnetic, thermal and fluid dynamics fields. During the experiment, six calculation variants, differ in amount of molten titanium (three different weights of titanium for each type of cold crucible) were considered. Main parameters controlled during the calculations were: electrical efficiency of the IFCC and the meniscus shape of liquid metal.

Simulation of warpage induced by non-isothermal crystallization of co-polypropylene during the SLS process

NASA Astrophysics Data System (ADS)

Amado, Antonio; Schmid, Manfred; Wegener, Konrad

2015-05-01

Polymer processing using Additive Manufacturing Technologies (AM) has experienced a remarkable growth during the last years. The application range has been expanding rapidly, particularly driven by the so-called consumer 3D printing sector. However, for applications demanding higher requirements in terms of thermo-mechanical properties and dimensional accuracy the long established AM technologies such as Selective Laser Sintering (SLS) do not depict a comparable development. The higher process complexity hinders the number of materials that can be currently processed and the interactions between the different physics involved have not been fully investigated. In case of thermoplastic materials the crystallization kinetics coupled to the shrinkage strain development strongly influences the stability of the process. Thus, the current investigation presents a transient Finite Element simulation of the warpage effect during the SLS process of a new developed polyolefin (co-polypropylene) coupling the thermal, mechanical and phase change equations that control the process. A thermal characterization of the material was performed by means of DSC, integrating the Nakamura model with the classical Hoffmann-Lauritzen theory. The viscoelastic behavior was measured using a plate-plate rheometer at different degrees of undercooling and a phase change-temperature superposition principle was implemented. Additionally, for validation porpoises the warpage development of the first sintered layers was captured employing an optical device. The simulation results depict a good agreement with experimental measurements of deformation, describing the high sensitivity of the geometrical accuracy of the sintered parts related to the processing conditions.

A Biophysical Model for Hawaiian Coral Reefs: Coupling Local Ecology, Larval Transport and Climate Change

NASA Astrophysics Data System (ADS)

Kapur, M. R.

2016-02-01

Simulative models of reef ecosystems have been used to evaluate ecological responses to a myriad of disturbance events, including fishing pressure, coral bleaching, invasion by alien species, and nutrient loading. The Coral Reef Scenario Evaluation Tool (CORSET), has been developed and instantiated for both the Meso-American Reef (MAR) and South China Sea (SCS) regions. This model is novel in that it accounts for the many scales at which reef ecosystem processes take place; is comprised of a "bottom-up" structure wherein complex behaviors are not pre-programmed, but emergent and highly portable to new systems. Local-scale dynamics are coupled across regions through larval connectivity matrices, derived sophisticated particle transport simulations that include key elements of larval behavior. By this approach, we are able to directly evaluate some of the potential consequences of larval connectivity patterns across a range of spatial scales and under multiple climate scenarios. This work develops and applies the CORSET (Coral Reef Scenario Evaluation Tool) to the Main Hawaiian Islands under a suite of climate and ecological scenarios. We introduce an adaptation constant into reef-building coral dynamics to simulate observed resiliencies to bleaching events. This presentation will share results from the model's instantiation under two Resource Concentration Pathway climate scenarios, with emphasis upon larval connectivity dynamics, emergent coral tolerance to increasing thermal anomalies, and patterns of spatial fishing closures. Results suggest that under a business-as-usual scenario, thermal tolerance and herbivore removal will have synergistic effects on reef resilience.

An approach to modeling coupled thermal-hydraulic-chemical processes in geothermal systems

USGS Publications Warehouse

Palguta, Jennifer; Williams, Colin F.; Ingebritsen, Steven E.; Hickman, Stephen H.; Sonnenthal, Eric

2011-01-01

Interactions between hydrothermal fluids and rock alter mineralogy, leading to the formation of secondary minerals and potentially significant physical and chemical property changes. Reactive transport simulations are essential for evaluating the coupled processes controlling the geochemical, thermal and hydrological evolution of geothermal systems. The objective of this preliminary investigation is to successfully replicate observations from a series of hydrothermal laboratory experiments [Morrow et al., 2001] using the code TOUGHREACT. The laboratory experiments carried out by Morrow et al. [2001] measure permeability reduction in fractured and intact Westerly granite due to high-temperature fluid flow through core samples. Initial permeability and temperature values used in our simulations reflect these experimental conditions and range from 6.13 × 10−20 to 1.5 × 10−17 m2 and 150 to 300 °C, respectively. The primary mineralogy of the model rock is plagioclase (40 vol.%), K-feldspar (20 vol.%), quartz (30 vol.%), and biotite (10 vol.%). The simulations are constrained by the requirement that permeability, relative mineral abundances, and fluid chemistry agree with experimental observations. In the models, the granite core samples are represented as one-dimensional reaction domains. We find that the mineral abundances, solute concentrations, and permeability evolutions predicted by the models are consistent with those observed in the experiments carried out by Morrow et al. [2001] only if the mineral reactive surface areas decrease with increasing clay mineral abundance. This modeling approach suggests the importance of explicitly incorporating changing mineral surface areas into reactive transport models.

Development and Verification of the Charring, Ablating Thermal Protection Implicit System Simulator

NASA Technical Reports Server (NTRS)

Amar, Adam J.; Calvert, Nathan; Kirk, Benjamin S.

2011-01-01

The development and verification of the Charring Ablating Thermal Protection Implicit System Solver (CATPISS) is presented. This work concentrates on the derivation and verification of the stationary grid terms in the equations that govern three-dimensional heat and mass transfer for charring thermal protection systems including pyrolysis gas flow through the porous char layer. The governing equations are discretized according to the Galerkin finite element method (FEM) with first and second order fully implicit time integrators. The governing equations are fully coupled and are solved in parallel via Newton s method, while the linear system is solved via the Generalized Minimum Residual method (GMRES). Verification results from exact solutions and Method of Manufactured Solutions (MMS) are presented to show spatial and temporal orders of accuracy as well as nonlinear convergence rates.

Preliminary control system design and analysis for the Space Station Furnace Facility thermal control system

NASA Technical Reports Server (NTRS)

Jackson, M. E.

1995-01-01

This report presents the Space Station Furnace Facility (SSFF) thermal control system (TCS) preliminary control system design and analysis. The SSFF provides the necessary core systems to operate various materials processing furnaces. The TCS is defined as one of the core systems, and its function is to collect excess heat from furnaces and to provide precise cold temperature control of components and of certain furnace zones. Physical interconnection of parallel thermal control subsystems through a common pump implies the description of the TCS by coupled nonlinear differential equations in pressure and flow. This report formulates the system equations and develops the controllers that cause the interconnected subsystems to satisfy flow rate tracking requirements. Extensive digital simulation results are presented to show the flow rate tracking performance.

A Novel Multi-Scale Domain Overlapping CFD/STH Coupling Methodology for Multi-Dimensional Flows Relevant to Nuclear Applications

NASA Astrophysics Data System (ADS)

Grunloh, Timothy P.

The objective of this dissertation is to develop a 3-D domain-overlapping coupling method that leverages the superior flow field resolution of the Computational Fluid Dynamics (CFD) code STAR-CCM+ and the fast execution of the System Thermal Hydraulic (STH) code TRACE to efficiently and accurately model thermal hydraulic transport properties in nuclear power plants under complex conditions of regulatory and economic importance. The primary contribution is the novel Stabilized Inertial Domain Overlapping (SIDO) coupling method, which allows for on-the-fly correction of TRACE solutions for local pressures and velocity profiles inside multi-dimensional regions based on the results of the CFD simulation. The method is found to outperform the more frequently-used domain decomposition coupling methods. An STH code such as TRACE is designed to simulate large, diverse component networks, requiring simplifications to the fluid flow equations for reasonable execution times. Empirical correlations are therefore required for many sub-grid processes. The coarse grids used by TRACE diminish sensitivity to small scale geometric details such as Reactor Pressure Vessel (RPV) internals. A CFD code such as STAR-CCM+ uses much finer computational meshes that are sensitive to the geometric details of reactor internals. In turbulent flows, it is infeasible to fully resolve the flow solution, but the correlations used to model turbulence are at a low level. The CFD code can therefore resolve smaller scale flow processes. The development of a 3-D coupling method was carried out with the intention of improving predictive capabilities of transport properties in the downcomer and lower plenum regions of an RPV in reactor safety calculations. These regions are responsible for the multi-dimensional mixing effects that determine the distribution at the core inlet of quantities with reactivity implications, such as fluid temperature and dissolved neutron absorber concentration.

The role of viscosity in TATB hot spot ignition

NASA Astrophysics Data System (ADS)

Fried, Laurence E.; Zepeda-Ruis, Luis; Howard, W. Michael; Najjar, Fady; Reaugh, John E.

2012-03-01

The role of dissipative effects, such as viscosity, in the ignition of high explosive pores is investigated using a coupled chemical, thermal, and hydrodynamic model. Chemical reactions are tracked with the Cheetah thermochemical code coupled to the ALE3D hydrodynamic code. We perform molecular dynamics simulations to determine the viscosity of liquid TATB. We also analyze shock wave experiments to obtain an estimate for the shock viscosity of TATB. Using the lower bound liquid-like viscosities, we find that the pore collapse is hydrodynamic in nature. Using the upper bound viscosity from shock wave experiments, we find that the pore collapse is closest to the viscous limit.

20th Annual Systems Engineering Conference, Thursday, Volume 4

DTIC Science & Technology

2017-10-26

Daniel Dault, Air Force Research Lab 19809 Physics Based Modeling & Simulation For Shock and Vulnerability Assessments - Navy Enhanced Sierra...19811 Version 1.0 of the New INCOSE Competency Framework u Mr. Don Gelosh 19515 A Proposed Engineering Training Framework and Competency Methodology...nonlinearity ▪ QEV, Transient, Frequency Domain ▪ Inverse Methods Capability ▪ Coupled Physics ▪ Fluids: nemo, aero and sigma ▪ Thermal (unidirection): fuego

Coupling Field Theory with Mesoscopic Dynamical Simulations of Multicomponent Lipid Bilayers

PubMed Central

McWhirter, J. Liam; Ayton, Gary; Voth, Gregory A.

2004-01-01

A method for simulating a two-component lipid bilayer membrane in the mesoscopic regime is presented. The membrane is modeled as an elastic network of bonded points; the spring constants of these bonds are parameterized by the microscopic bulk modulus estimated from earlier atomistic nonequilibrium molecular dynamics simulations for several bilayer mixtures of DMPC and cholesterol. The modulus depends on the composition of a point in the elastic membrane model. The dynamics of the composition field is governed by the Cahn-Hilliard equation where a free energy functional models the coupling between the composition and curvature fields. The strength of the bonds in the elastic network are then modulated noting local changes in the composition and using a fit to the nonequilibrium molecular dynamics simulation data. Estimates for the magnitude and sign of the coupling parameter in the free energy model are made treating the bending modulus as a function of composition. A procedure for assigning the remaining parameters in the free energy model is also outlined. It is found that the square of the mean curvature averaged over the entire simulation box is enhanced if the strength of the bonds in the elastic network are modulated in response to local changes in the composition field. We suggest that this simulation method could also be used to determine if phase coexistence affects the stress response of the membrane to uniform dilations in area. This response, measured in the mesoscopic regime, is already known to be conditioned or renormalized by thermal undulations. PMID:15347594

The effect of metallicity on the atmospheres of exoplanets with fully coupled 3D hydrodynamics, equilibrium chemistry, and radiative transfer

NASA Astrophysics Data System (ADS)

Drummond, B.; Mayne, N. J.; Baraffe, I.; Tremblin, P.; Manners, J.; Amundsen, D. S.; Goyal, J.; Acreman, D.

2018-05-01

In this work, we have performed a series of simulations of the atmosphere of GJ 1214b assuming different metallicities using the Met Office Unified Model (UM). The UM is a general circulation model (GCM) that solves the deep, non-hydrostatic equations of motion and uses a flexible and accurate radiative transfer scheme, based on the two-stream and correlated-k approximations, to calculate the heating rates. In this work we consistently couple a well-tested Gibbs energy minimisation scheme to solve for the chemical equilibrium abundances locally in each grid cell for a general set of elemental abundances, further improving the flexibility and accuracy of the model. As the metallicity of the atmosphere is increased we find significant changes in the dynamical and thermal structure, with subsequent implications for the simulated phase curve. The trends that we find are qualitatively consistent with previous works, though with quantitative differences. We investigate in detail the effect of increasing the metallicity by splitting the mechanism into constituents, involving the mean molecular weight, the heat capacity and the opacities. We find the opacity effect to be the dominant mechanism in altering the circulation and thermal structure. This result highlights the importance of accurately computing the opacities and radiative transfer in 3D GCMs.

Optimized phases for the acquisition of J-spectra in coupled spin systems for thermally and PHIP polarized molecules.

PubMed

Bussandri, S; Prina, I; Acosta, R H; Buljubasich, L

2018-04-01

We demonstrate that the relative phases in the refocusing pulses of multipulse sequences can compensate for pulse errors and off-resonant effects, which are commonly encountered in J-spectroscopy when CPMG is used for acquisition. The use of supercycles has been considered many times in the past, but always from the view point of time-domain NMR, that is, in an effort to lengthen the decay of the magnetization. Here we use simple spin-coupled systems, in which the quantum evolution of the system can be simulated and contrasted to experimental results. In order to explore fine details, we resort to partial J-spectroscopy, that is, to the acquisition of J-spectra of a defined multiplet, which is acquired with a suitable digital filter. We unambiguously show that when finite radiofrequency pulses are considered, the off-resonance effects on nearby multiplets affects the dynamics of the spins within the spectral window under acquisition. Moreover, the most robust phase cycling scheme for our setup consists of a 4-pulse cycle, with phases yyyy‾ or xxxx‾ for an excitation pulse with phase x. We show simulated and experimental results in both thermally polarized and PHIP hyperpolarized systems. Copyright © 2018 Elsevier Inc. All rights reserved.

Optimized phases for the acquisition of J-spectra in coupled spin systems for thermally and PHIP polarized molecules

NASA Astrophysics Data System (ADS)

Bussandri, S.; Prina, I.; Acosta, R. H.; Buljubasich, L.

2018-04-01

We demonstrate that the relative phases in the refocusing pulses of multipulse sequences can compensate for pulse errors and off-resonant effects, which are commonly encountered in J-spectroscopy when CPMG is used for acquisition. The use of supercycles has been considered many times in the past, but always from the view point of time-domain NMR, that is, in an effort to lengthen the decay of the magnetization. Here we use simple spin-coupled systems, in which the quantum evolution of the system can be simulated and contrasted to experimental results. In order to explore fine details, we resort to partial J-spectroscopy, that is, to the acquisition of J-spectra of a defined multiplet, which is acquired with a suitable digital filter. We unambiguously show that when finite radiofrequency pulses are considered, the off-resonance effects on nearby multiplets affects the dynamics of the spins within the spectral window under acquisition. Moreover, the most robust phase cycling scheme for our setup consists of a 4-pulse cycle, with phases yy yy ‾ or xx xx ‾ for an excitation pulse with phase x. We show simulated and experimental results in both thermally polarized and PHIP hyperpolarized systems.

Numerical Analysis of Mixed-Phase Icing Cloud Simulations in the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Bartkus, Tadas; Tsao, Jen-Ching; Struk, Peter; Van Zante, Judith

2017-01-01

This presentation describes the development of a numerical model that couples the thermal interaction between ice particles, water droplets, and the flowing gas of an icing wind tunnel for simulation of NASA Glenn Research Centers Propulsion Systems Laboratory (PSL). The ultimate goal of the model is to better understand the complex interactions between the test parameters and have greater confidence in the conditions at the test section of the PSL tunnel. The model attempts to explain the observed changes in test conditions by coupling the conservation of mass and energy equations for both the cloud particles and flowing gas mass. Model predictions were compared to measurements taken during May 2015 testing at PSL, where test conditions varied gas temperature, pressure, velocity and humidity levels, as well as the cloud total water content, particle initial temperature, and particle size distribution.

Portable Solid Phase Micro-Extraction Coupled with Ion Mobility Spectrometry System for On-Site Analysis of Chemical Warfare Agents and Simulants in Water Samples

PubMed Central

Yang, Liu; Han, Qiang; Cao, Shuya; Yang, Jie; Yang, Junchao; Ding, Mingyu

2014-01-01

On-site analysis is an efficient approach to facilitate analysis at the location of the system under investigation as it can result in more accurate, more precise and quickly available analytical data. In our work, a novel self-made thermal desorption based interface was fabricated to couple solid-phase microextraction with ion mobility spectrometry for on-site water analysis. The portable interface can be connected with the front-end of an ion mobility spectrometer directly without other modifications. The analytical performance was evaluated via the extraction of chemical warfare agents and simulants in water samples. Several parameters including ionic strength and extraction time have been investigated in detail. The application of the developed method afforded satisfactory recoveries ranging from 72.9% to 114.4% when applied to the analysis of real water samples. PMID:25384006

Numerical Analysis of Mixed-Phase Icing Cloud Simulations in the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Bartkus, Tadas P.; Tsao, Jen-Ching; Struk, Peter M.; Van Zante, Judith F.

2017-01-01

This paper describes the development of a numerical model that couples the thermal interaction between ice particles, water droplets, and the flowing gas of an icing wind tunnel for simulation of NASA Glenn Research Centers Propulsion Systems Laboratory (PSL). The ultimate goal of the model is to better understand the complex interactions between the test parameters and have greater confidence in the conditions at the test section of the PSL tunnel. The model attempts to explain the observed changes in test conditions by coupling the conservation of mass and energy equations for both the cloud particles and flowing gas mass. Model predictions were compared to measurements taken during May 2015 testing at PSL, where test conditions varied gas temperature, pressure, velocity and humidity levels, as well as the cloud total water content, particle initial temperature, and particle size distribution.

Experimental and computational laser tissue welding using a protein patch.

PubMed

Small, W; Heredia, N J; Maitland, D J; Eder, D C; Celliers, P M; Da Silva, L B; London, R A; Matthews, D L

1998-01-01

An in vitro study of laser tissue welding mediated with a dye-enhanced protein patch was conducted. Fresh sections of porcine aorta were used for the experiments. Arteriotomies were treated using an indocyanine green dye-enhanced collagen patch activated by an 805-nm continuous-wave fiber-delivered diode laser. Temperature histories of the surface of the weld site were obtained using a hollow glass optical fiber-based two-color infrared thermometer. The experimental effort was complemented by simulations with the LATIS (LAser-TISsue) computer code, which uses coupled Monte Carlo, thermal transport, and mass transport models. Comparison of simulated and experimental thermal data indicated that evaporative cooling clamped the surface temperature of the weld site below 100 °C. For fluences of approximately 200 J/cm2, peak surface temperatures averaged 74°C and acute burst strengths consistently exceeded 0.14×106 dyn/cm (hoop tension). The combination of experimental and simulation results showed that the inclusion of water transport and evaporative losses in the computer code has a significant impact on the thermal distributions and hydration levels throughout the tissue volume. The solid-matrix protein patch provided a means of controllable energy delivery and yielded consistently strong welds. © 1998 Society of Photo-Optical Instrumentation Engineers.

Derivation of an Explicit Form of the Percolation-Based Effective-Medium Approximation for Thermal Conductivity of Partially Saturated Soils

NASA Astrophysics Data System (ADS)

Sadeghi, Morteza; Ghanbarian, Behzad; Horton, Robert

2018-02-01

Thermal conductivity is an essential component in multiphysics models and coupled simulation of heat transfer, fluid flow, and solute transport in porous media. In the literature, various empirical, semiempirical, and physical models were developed for thermal conductivity and its estimation in partially saturated soils. Recently, Ghanbarian and Daigle (GD) proposed a theoretical model, using the percolation-based effective-medium approximation, whose parameters are physically meaningful. The original GD model implicitly formulates thermal conductivity λ as a function of volumetric water content θ. For the sake of computational efficiency in numerical calculations, in this study, we derive an explicit λ(θ) form of the GD model. We also demonstrate that some well-known empirical models, e.g., Chung-Horton, widely applied in the HYDRUS model, as well as mixing models are special cases of the GD model under specific circumstances. Comparison with experiments indicates that the GD model can accurately estimate soil thermal conductivity.

Functionalization mediates heat transport in graphene nanoflakes

PubMed Central

Han, Haoxue; Zhang, Yong; Wang, Nan; Samani, Majid Kabiri; Ni, Yuxiang; Mijbil, Zainelabideen Y.; Edwards, Michael; Xiong, Shiyun; Sääskilahti, Kimmo; Murugesan, Murali; Fu, Yifeng; Ye, Lilei; Sadeghi, Hatef; Bailey, Steven; Kosevich, Yuriy A.; Lambert, Colin J.; Liu, Johan; Volz, Sebastian

2016-01-01

The high thermal conductivity of graphene and few-layer graphene undergoes severe degradations through contact with the substrate. Here we show experimentally that the thermal management of a micro heater is substantially improved by introducing alternative heat-escaping channels into a graphene-based film bonded to functionalized graphene oxide through amino-silane molecules. Using a resistance temperature probe for in situ monitoring we demonstrate that the hotspot temperature was lowered by ∼28 °C for a chip operating at 1,300 W cm−2. Thermal resistance probed by pulsed photothermal reflectance measurements demonstrated an improved thermal coupling due to functionalization on the graphene–graphene oxide interface. Three functionalization molecules manifest distinct interfacial thermal transport behaviour, corroborating our atomistic calculations in unveiling the role of molecular chain length and functional groups. Molecular dynamics simulations reveal that the functionalization constrains the cross-plane phonon scattering, which in turn enhances in-plane heat conduction of the bonded graphene film by recovering the long flexural phonon lifetime. PMID:27125636

Ultra-narrow EIA spectra of 85Rb atom in a degenerate Zeeman multiplet system

NASA Astrophysics Data System (ADS)

Rehman, Hafeez Ur; Qureshi, Muhammad Mohsin; Noh, Heung-Ryoul; Kim, Jin-Tae

2015-05-01

Ultra-narrow EIA spectral features of thermal 85Rb atom with respect to coupling Rabi frequencies in a degenerate Zeeman multiplet system have been unraveled in the cases of same (σ+ -σ+ , π ∥ π) and orthogonal (σ+ -σ- , π ⊥ π)polarization configurations. The EIA signals with subnatural linewidth of ~ 100 kHz even in the cases of same circular and linear polarizations of coupling and probe laser have been obtained for the first time theoretically and experimentally. In weak coupling power limit of orthogonal polarization configurations, time-dependent transfer of coherence plays major role in the splitting of the EIA spectra while in strong coupling power, Mollow triplet-like mechanism due to strong power bring into broad split feature. The experimental ultra-narrow EIA features using one laser combined with an AOM match well with simulated spectra obtained by using generalized time-dependent optical Bloch equations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Ke-Wei; Division of Materials Science, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798; Fujihashi, Yuta

A master equation approach based on an optimized polaron transformation is adopted for dynamics simulation with simultaneous diagonal and off-diagonal spin-boson coupling. Two types of bath spectral density functions are considered, the Ohmic and the sub-Ohmic. The off-diagonal coupling leads asymptotically to a thermal equilibrium with a nonzero population difference P{sub z}(t → ∞) ≠ 0, which implies localization of the system, and it also plays a role in restraining coherent dynamics for the sub-Ohmic case. Since the new method can extend to the stronger coupling regime, we can investigate the coherent-incoherent transition in the sub-Ohmic environment. Relevant phase diagramsmore » are obtained for different temperatures. It is found that the sub-Ohmic environment allows coherent dynamics at a higher temperature than the Ohmic environment.« less

Interface requirements to couple thermal-hydraulic codes to severe accident codes: ATHLET-CD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trambauer, K.

1997-07-01

The system code ATHLET-CD is being developed by GRS in cooperation with IKE and IPSN. Its field of application comprises the whole spectrum of leaks and large breaks, as well as operational and abnormal transients for LWRs and VVERs. At present the analyses cover the in-vessel thermal-hydraulics, the early phases of core degradation, as well as fission products and aerosol release from the core and their transport in the Reactor Coolant System. The aim of the code development is to extend the simulation of core degradation up to failure of the reactor pressure vessel and to cover all physically reasonablemore » accident sequences for western and eastern LWRs including RMBKs. The ATHLET-CD structure is highly modular in order to include a manifold spectrum of models and to offer an optimum basis for further development. The code consists of four general modules to describe the reactor coolant system thermal-hydraulics, the core degradation, the fission product core release, and fission product and aerosol transport. Each general module consists of some basic modules which correspond to the process to be simulated or to its specific purpose. Besides the code structure based on the physical modelling, the code follows four strictly separated steps during the course of a calculation: (1) input of structure, geometrical data, initial and boundary condition, (2) initialization of derived quantities, (3) steady state calculation or input of restart data, and (4) transient calculation. In this paper, the transient solution method is briefly presented and the coupling methods are discussed. Three aspects have to be considered for the coupling of different modules in one code system. First is the conservation of masses and energy in the different subsystems as there are fluid, structures, and fission products and aerosols. Second is the convergence of the numerical solution and stability of the calculation. The third aspect is related to the code performance, and running time.« less

A suite of benchmark and challenge problems for enhanced geothermal systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, Mark; Fu, Pengcheng; McClure, Mark

A diverse suite of numerical simulators is currently being applied to predict or understand the performance of enhanced geothermal systems (EGS). To build confidence and identify critical development needs for these analytical tools, the United States Department of Energy, Geothermal Technologies Office sponsored a Code Comparison Study (GTO-CCS), with participants from universities, industry, and national laboratories. A principal objective for the study was to create a community forum for improvement and verification of numerical simulators for EGS modeling. Teams participating in the study were those representing U.S. national laboratories, universities, and industries, and each team brought unique numerical simulation capabilitiesmore » to bear on the problems. Two classes of problems were developed during the study, benchmark problems and challenge problems. The benchmark problems were structured to test the ability of the collection of numerical simulators to solve various combinations of coupled thermal, hydrologic, geomechanical, and geochemical processes. This class of problems was strictly defined in terms of properties, driving forces, initial conditions, and boundary conditions. The challenge problems were based on the enhanced geothermal systems research conducted at Fenton Hill, near Los Alamos, New Mexico, between 1974 and 1995. The problems involved two phases of research, stimulation, development, and circulation in two separate reservoirs. The challenge problems had specific questions to be answered via numerical simulation in three topical areas: 1) reservoir creation/stimulation, 2) reactive and passive transport, and 3) thermal recovery. Whereas the benchmark class of problems were designed to test capabilities for modeling coupled processes under strictly specified conditions, the stated objective for the challenge class of problems was to demonstrate what new understanding of the Fenton Hill experiments could be realized via the application of modern numerical simulation tools by recognized expert practitioners. We present the suite of benchmark and challenge problems developed for the GTO-CCS, providing problem descriptions and sample solutions.« less

Full Core TREAT Kinetics Demonstration Using Rattlesnake/BISON Coupling Within MAMMOTH

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ortensi, Javier; DeHart, Mark D.; Gleicher, Frederick N.

2015-08-01

This report summarizes key aspects of research in evaluation of modeling needs for TREAT transient simulation. Using a measured TREAT critical measurement and a transient for a small, experimentally simplified core, Rattlesnake and MAMMOTH simulations are performed building from simple infinite media to a full core model. Cross sections processing methods are evaluated, various homogenization approaches are assessed and the neutronic behavior of the core studied to determine key modeling aspects. The simulation of the minimum critical core with the diffusion solver shows very good agreement with the reference Monte Carlo simulation and the experiment. The full core transient simulationmore » with thermal feedback shows a significantly lower power peak compared to the documented experimental measurement, which is not unexpected in the early stages of model development.« less

Increasing Black Hole Feedback-induced Quenching with Anisotropic Thermal Conduction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kannan, Rahul; Vogelsberger, Mark; Pfrommer, Christoph

Feedback from central supermassive black holes is often invoked to explain the low star formation rates (SFRs) in the massive galaxies at the centers of galaxy clusters. However, the detailed physics of the coupling of the injected feedback energy with the intracluster medium (ICM) is still unclear. Using high-resolution magnetohydrodynamic cosmological simulations of galaxy cluster formation, we investigate the role of anisotropic thermal conduction in shaping the thermodynamic structure of clusters, and in particular, in modifying the impact of black hole feedback. Stratified anisotropically conducting plasmas are formally always unstable, and thus more prone to mixing, an expectation borne outmore » by our results. The increased mixing efficiently isotropizes the injected feedback energy, which in turn significantly improves the coupling between the feedback energy and the ICM. This facilitates an earlier disruption of the cool-core, reduces the SFR by more than an order of magnitude, and results in earlier quenching despite an overall lower amount of feedback energy injected into the cluster core. With conduction, the metallicity gradients and dispersions are lowered, aligning them better with observational constraints. These results highlight the important role of thermal conduction in establishing and maintaining the quiescence of massive galaxies.« less

Length scale effects and multiscale modeling of thermally induced phase transformation kinetics in NiTi SMA

NASA Astrophysics Data System (ADS)

Frantziskonis, George N.; Gur, Sourav

2017-06-01

Thermally induced phase transformation in NiTi shape memory alloys (SMAs) shows strong size and shape, collectively termed length scale effects, at the nano to micrometer scales, and that has important implications for the design and use of devices and structures at such scales. This paper, based on a recently developed multiscale model that utilizes molecular dynamics (MDs) simulations at small scales and MD-verified phase field (PhF) simulations at larger scales, reports results on specific length scale effects, i.e. length scale effects in martensite phase fraction (MPF) evolution, transformation temperatures (martensite and austenite start and finish) and in the thermally cyclic transformation between austenitic and martensitic phase. The multiscale study identifies saturation points for length scale effects and studies, for the first time, the length scale effect on the kinetics (i.e. developed internal strains) in the B19‧ phase during phase transformation. The major part of the work addresses small scale single crystals in specific orientations. However, the multiscale method is used in a unique and novel way to indirectly study length scale and grain size effects on evolution kinetics in polycrystalline NiTi, and to compare the simulation results to experiments. The interplay of the grain size and the length scale effect on the thermally induced MPF evolution is also shown in this present study. Finally, the multiscale coupling results are employed to improve phenomenological material models for NiTi SMA.

Modeling of Laser Vaporization and Plume Chemistry in a Boron Nitride Nanotube Production Rig

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.; Fay, Catharine C.

2012-01-01

Flow in a pressurized, vapor condensation (PVC) boron nitride nanotube (BNNT) production rig is modeled. A laser provides a thermal energy source to the tip of a boron ber bundle in a high pressure nitrogen chamber causing a plume of boron-rich gas to rise. The buoyancy driven flow is modeled as a mixture of thermally perfect gases (B, B2, N, N2, BN) in either thermochemical equilibrium or chemical nonequilibrium assuming steady-state melt and vaporization from a 1 mm radius spot at the axis of an axisymmetric chamber. The simulation is intended to define the macroscopic thermochemical environment from which boron-rich species, including nanotubes, condense out of the plume. Simulations indicate a high temperature environment (T > 4400K) for elevated pressures within 1 mm of the surface sufficient to dissociate molecular nitrogen and form BN at the base of the plume. Modifications to Program LAURA, a finite-volume based solver for hypersonic flows including coupled radiation and ablation, are described to enable this simulation. Simulations indicate that high pressure synthesis conditions enable formation of BN vapor in the plume that may serve to enhance formation of exceptionally long nanotubes in the PVC process.

Energy demand hourly simulations and energy saving strategies in greenhouses for the Mediterranean climate

NASA Astrophysics Data System (ADS)

Priarone, A.; Fossa, M.; Paietta, E.; Rolando, D.

2017-01-01

This research has been devoted to the selection of the most favourable plant solutions for ventilation, heating and cooling, thermo-hygrometric control of a greenhouse, in the framework of the energy saving and the environmental protection. The identified plant solutions include shading of glazing surfaces, natural ventilation by means of controlled opening windows, forced convection of external air and forced convection of air treated by the HVAC system for both heating and cooling. The selected solution combines HVAC system to a Ground Coupled Heat Pump (GCHP), which is an innovative renewable technology applied to greenhouse buildings. The energy demand and thermal loads of the greenhouse to fulfil the requested internal design conditions have been evaluated through an hourly numerical simulation, using the Energy Plus (E-plus) software. The overall heat balance of the greenhouse also includes the latent heat exchange due to crop evapotranspiration, accounted through an original iterative calculation procedure that combines the E-plus dynamic simulations and the FAO Penman-Monteith method. The obtained hourly thermal loads have been used to size the borehole field for the geothermal heat pump by using a dedicated GCHP hourly simulation tool.

The T-REX valley wind intercomparison project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmidli, J; Billings, B J; Burton, R

2008-08-07

An accurate simulation of the evolution of the atmospheric boundary layer is very important, as the evolution of the boundary layer sets the stage for many weather phenomena, such as deep convection. Over mountain areas the evolution of the boundary layer is particularly complex, due to the nonlinear interaction between boundary layer turbulence and thermally-induced mesoscale wind systems, such as the slope and valley winds. As the horizontal resolution of operational forecasts progresses to finer and finer resolution, more and more of the thermally-induced mesoscale wind systems can be explicitly resolved, and it is very timely to document the currentmore » state-of-the-art of mesoscale models at simulating the coupled evolution of the mountain boundary layer and the valley wind system. In this paper we present an intercomparison of valley wind simulations for an idealized valley-plain configuration using eight state-of-the-art mesoscale models with a grid spacing of 1 km. Different sets of three-dimensional simulations are used to explore the effects of varying model dynamical cores and physical parameterizations. This intercomparison project was conducted as part of the Terrain-induced Rotor Experiment (T-REX; Grubisic et al., 2008).« less

Simulation framework for electromagnetic effects in plasmonics, filter apertures, wafer scattering, grating mirrors, and nano-crystals

NASA Astrophysics Data System (ADS)

Ceperley, Daniel Peter

This thesis presents a Finite-Difference Time-Domain simulation framework as well as both scientific observations and quantitative design data for emerging optical devices. These emerging applications required the development of simulation capabilities to carefully control numerical experimental conditions, isolate and quantifying specific scattering processes, and overcome memory and run-time limitations on large device structures. The framework consists of a new version 7 of TEMPEST and auxiliary tools implemented as Matlab scripts. In improving the geometry representation and absorbing boundary conditions in TEMPEST from v6 the accuracy has been sustained and key improvements have yielded application specific speed and accuracy improvements. These extensions include pulsed methods, PML for plasmon termination, and plasmon and scattered field sources. The auxiliary tools include application specific methods such as signal flow graphs of plasmon couplers, Bloch mode expansions of sub-wavelength grating waves, and back-propagation methods to characterize edge scattering in diffraction masks. Each application posed different numerical hurdles and physical questions for the simulation framework. The Terrestrial Planet Finder Coronagraph required accurate modeling of diffraction mask structures too large for solely FDTD analysis. This analysis was achieved through a combination of targeted TEMPEST simulations and full system simulator based on thin mask scalar diffraction models by Ball Aerospace for JPL. TEMPEST simulation showed that vertical sidewalls were the strongest scatterers, adding nearly 2lambda of light per mask edge, which could be reduced by 20° undercuts. TEMPEST assessment of coupling in rapid thermal annealing was complicated by extremely sub-wavelength features and fine meshes. Near 100% coupling and low variability was confirmed even in the presence of unidirectional dense metal gates. Accurate analysis of surface plasmon coupling efficiency by small surface features required capabilities to isolate these features and cleanly illuminate them with plasmons and plane-waves. These features were shown to have coupling cross-sections up to and slightly exceeding their physical size. Long run-times for TEMPEST simulations of finite length gratings were overcome with a signal flow graph method. With these methods a plasmon coupler with over a 10lambda 100% capture length was demonstrated. Simulation of 3D nano-particle arrays utilized TEMPEST v7's pulsed methods to minimize the number of multi-day simulations. These simulations led to the discovery that interstitial plasmons were responsible for resonant absorption and transmission but not reflection. Simulation of a sub-wavelength grating mirror using pulsed sources to map resonant spectra showed that neither coupled guided waves nor coupled isolated resonators accurately described the operation. However, a new model based on vertical propagation of lateral Bloch modes with zero phase progression efficiently characterized the device and provided principles for designing similar devices at other wavelengths.

Extensions of the MCNP5 and TRIPOLI4 Monte Carlo Codes for Transient Reactor Analysis

NASA Astrophysics Data System (ADS)

Hoogenboom, J. Eduard; Sjenitzer, Bart L.

2014-06-01

To simulate reactor transients for safety analysis with the Monte Carlo method the generation and decay of delayed neutron precursors is implemented in the MCNP5 and TRIPOLI4 general purpose Monte Carlo codes. Important new variance reduction techniques like forced decay of precursors in each time interval and the branchless collision method are included to obtain reasonable statistics for the power production per time interval. For simulation of practical reactor transients also the feedback effect from the thermal-hydraulics must be included. This requires coupling of the Monte Carlo code with a thermal-hydraulics (TH) code, providing the temperature distribution in the reactor, which affects the neutron transport via the cross section data. The TH code also provides the coolant density distribution in the reactor, directly influencing the neutron transport. Different techniques for this coupling are discussed. As a demonstration a 3x3 mini fuel assembly with a moving control rod is considered for MCNP5 and a mini core existing of 3x3 PWR fuel assemblies with control rods and burnable poisons for TRIPOLI4. Results are shown for reactor transients due to control rod movement or withdrawal. The TRIPOLI4 transient calculation is started at low power and includes thermal-hydraulic feedback. The power rises about 10 decades and finally stabilises the reactor power at a much higher level than initial. The examples demonstrate that the modified Monte Carlo codes are capable of performing correct transient calculations, taking into account all geometrical and cross section detail.

Heat amplification and negative differential thermal conductance in a strongly coupled nonequilibrium spin-boson system

NASA Astrophysics Data System (ADS)

Wang, Chen; Chen, Xu-Min; Sun, Ke-Wei; Ren, Jie

2018-05-01

We investigate the nonequilibrium quantum heat transfer in a quantum thermal transistor, constructed by a triangle-coupled spin-boson system in a three-terminal setup. By exploiting the nonequilibrium noninteracting blip approximation approach combined with full counting statistics, we obtain the steady-state thermal transport, such as heat currents. We identify the giant heat amplification feature in a strong coupling regime, which results from the negative differential thermal conductance with respect to the gate temperature. Analysis shows that the strong coupling between the gate qubit and corresponding gate thermal bath plays the crucial role in exhibiting these far-from-equilibrium features. These results would have potential implications in designing efficient quantum thermal transistors in the future.

The Numerical Simulation of Coupling Behavior of Soil with Chemical Pollutant Effects

NASA Astrophysics Data System (ADS)

Liu, Z. J.; Li, X. K.; Tang, L. Q.

2010-05-01

The coupling behavior of clay plays a role in the integrity of clay barriers used in landfills. The clay barriers are subjected to mechanical and thermal effects coupled with hydraulic behavior, also, if the leachates become in contact with the clay liner, chemical effects may lead to some drastic changes in the properties of the clay. A numerical method to simulate the coupling behavior of soil with chemical pollutant effects is presented. Within the framework of Gens-Alonso model describing the constitutive behavior of unsaturated clay presented in reference[1], basing on the work of Wu[2] and Hueckel[3], a constitutive model describing the chemo-thermo-hydro-mechanical(CTHM) coupling behavior of clays in contact with a single organic contaminant is presented. The thermical softening and chemical softening is considered in the presented model. The strain arising in the material due to chemical and thermical effects can be decomposed into two parts: elastic expansion and plastic compaction. The chemical effects are described in terms of the mass concentration of the contaminant. The increases in temperature and contaminant concentration cause decreases of the pre-consolidation pressure and the cohesion. The mechanisms are called thermical softening and chemical softening. The presented coupled CTHM constitutive model has been integrated into the coupled thermo-hydro-mechanical mathematical model including contaminant transport in porous media. To solve the equilibrium equations, the grogram of finite element methods is developed with a stagger algorithm. The mechanisms taking place due to the coupling behaviour of the clay with a single contaminant solute are analysed with the presented numerical method.

Lumped-Element Dynamic Electro-Thermal model of a superconducting magnet

NASA Astrophysics Data System (ADS)

Ravaioli, E.; Auchmann, B.; Maciejewski, M.; ten Kate, H. H. J.; Verweij, A. P.

2016-12-01

Modeling accurately electro-thermal transients occurring in a superconducting magnet is challenging. The behavior of the magnet is the result of complex phenomena occurring in distinct physical domains (electrical, magnetic and thermal) at very different spatial and time scales. Combined multi-domain effects significantly affect the dynamic behavior of the system and are to be taken into account in a coherent and consistent model. A new methodology for developing a Lumped-Element Dynamic Electro-Thermal (LEDET) model of a superconducting magnet is presented. This model includes non-linear dynamic effects such as the dependence of the magnet's differential self-inductance on the presence of inter-filament and inter-strand coupling currents in the conductor. These effects are usually not taken into account because superconducting magnets are primarily operated in stationary conditions. However, they often have significant impact on magnet performance, particularly when the magnet is subject to high ramp rates. Following the LEDET method, the complex interdependence between the electro-magnetic and thermal domains can be modeled with three sub-networks of lumped-elements, reproducing the electrical transient in the main magnet circuit, the thermal transient in the coil cross-section, and the electro-magnetic transient of the inter-filament and inter-strand coupling currents in the superconductor. The same simulation environment can simultaneously model macroscopic electrical transients and phenomena at the level of superconducting strands. The model developed is a very useful tool for reproducing and predicting the performance of conventional quench protection systems based on energy extraction and quench heaters, and of the innovative CLIQ protection system as well.

Role of temperature dependence of optical properties in laser irradiation of biological tissue

NASA Astrophysics Data System (ADS)

Rastegar, Sohi; Kim, Beop-Min; Jacques, Steven L.

1992-08-01

Optical properties of biological tissue can change as a result of thermal denaturation due to temperature rise; a familiar example is whitening observed in cooking egg-white. Changes in optical properties with temperature have been reported in the literature. Temperature rise due to laser irradiation is a function of the optical properties of tissue which themselves are a function of temperature of the tissue. This creates a coupling between light and temperature fields for biological tissue under laser irradiation. The effects of this coupling on the temperature response and light distribution may play an important role in dosimetry consideration for therapeutic as well as diagnostic application of lasers in medicine. In a previous study this problem was addressed in one dimension, for short irradiation exposures, using certain simplifying assumptions. The purpose of this research was to develop a mathematical model for dynamic optical changes with thermal denaturation and a computer program for simulation of these effects for a multi-dimensional geometry.

Investigation on a thermal-coupled two-stage Stirling-type pulse tube cryocooler

NASA Astrophysics Data System (ADS)

Yang, Luwei

2008-11-01

Multi-stage Stirling-type pulse tube cryocoolers with high frequency (30-60 Hz) are one important direction in recent years. A two-stage Stirling-type pulse tube cryocooler with thermally coupled stages has been designed and established two years ago and some results have been published. In order to study the effect of first stage precooling temperature, related characteristics on performance are experimentally investigated. It shows that at high input power, when the precooling temperature is lower than 110 K, its effect on second stage temperature is quite small. There is also the evident effect of precooling temperature on pulse tube temperature distribution; this is for the first time that author notice the phenomenon. The mean working pressure is investigated and the 12.8 K lowest temperature with 500 W input power and 1.22 MPa average pressure have been gained, this is the lowest reported temperature for high frequency two-stage PTCS. Simulation has reflected upper mentioned typical features in experiments.

Wetting and motion behaviors of water droplet on graphene under thermal-electric coupling field

NASA Astrophysics Data System (ADS)

Zhang, Zhong-Qiang; Dong, Xin; Ye, Hong-Fei; Cheng, Guang-Gui; Ding, Jian-Ning; Ling, Zhi-Yong

2015-02-01

Wetting dynamics and motion behaviors of a water droplet on graphene are characterized under the electric-thermal coupling field using classical molecular dynamics simulation method. The water droplet on graphene can be driven by the temperature gradient, while the moving direction is dependent on the electric field intensity. Concretely, the water droplet on graphene moves from the low temperature region to the high temperature region for the relatively weak electric field intensity. The motion acceleration increases with the electric field intensity on graphene, whereas the moving direction switches when the electric field intensity increases up to a threshold. The essence is the change from hydrophilic to hydrophobic for the water droplet on graphene at a threshold of the electric field intensity. Moreover, the driven force of the water droplet caused by the overall oscillation of graphene has important influence on the motion behaviors. The results are helpful to control the wettability of graphene and further develop the graphene-based fluidic nanodevices.

Effects of Gravity on Soot Formation in a Coflow Laminar Methane/Air Diffusion Flame

NASA Astrophysics Data System (ADS)

Kong, Wenjun; Liu, Fengshan

2010-04-01

Simulations of a laminar coflow methane/air diffusion flame at atmospheric pressure are conducted to gain better understanding of the effects of gravity on soot formation by using detailed gas-phase chemistry, complex thermal and transport properties coupled with a semiempirical two-equation soot model and a nongray radiation model. Soot oxidation by O2, OH and O was considered. Thermal radiation was calculated using the discrete ordinate method coupled with a statistical narrow-band correlated-K model. The spectral absorption coefficient of soot was obtained by Rayleigh's theory for small particles. The results show that the peak temperature decreases with the decrease of the gravity level. The peak soot volume fraction in microgravity is about twice of that in normal gravity under the present conditions. The numerical results agree very well with available experimental results. The predicted results also show that gravity affects the location and intensity for soot nucleation and surface growth.

Monte Carlo study of a ferrimagnetic mixed-spin (2, 5/2) system with the nearest and next-nearest neighbors exchange couplings

NASA Astrophysics Data System (ADS)

Bi, Jiang-lin; Wang, Wei; Li, Qi

2017-07-01

In this paper, the effects of the next-nearest neighbors exchange couplings on the magnetic and thermal properties of the ferrimagnetic mixed-spin (2, 5/2) Ising model on a 3D honeycomb lattice have been investigated by the use of Monte Carlo simulation. In particular, the influences of exchange couplings (Ja, Jb, Jan) and the single-ion anisotropy(Da) on the phase diagrams, the total magnetization, the sublattice magnetization, the total susceptibility, the internal energy and the specific heat have been discussed in detail. The results clearly show that the system can express the critical and compensation behavior within the next-nearest neighbors exchange coupling. Great deals of the M curves such as N-, Q-, P- and L-types have been discovered, owing to the competition between the exchange coupling and the temperature. Compared with other theoretical and experimental works, our results have an excellent consistency with theirs.

Impact of distal mutations on the network of coupled motions correlated to hydride transfer in dihydrofolate reductase.

PubMed

Wong, Kim F; Selzer, Tzvia; Benkovic, Stephen J; Hammes-Schiffer, Sharon

2005-05-10

A comprehensive analysis of the network of coupled motions correlated to hydride transfer in dihydrofolate reductase is presented. Hybrid quantum/classical molecular dynamics simulations are combined with a rank correlation analysis method to extract thermally averaged properties that vary along the collective reaction coordinate according to a prescribed target model. Coupled motions correlated to hydride transfer are identified throughout the enzyme. Calculations for wild-type dihydrofolate reductase and a triple mutant, along with the associated single and double mutants, indicate that each enzyme system samples a unique distribution of coupled motions correlated to hydride transfer. These coupled motions provide an explanation for the experimentally measured nonadditivity effects in the hydride transfer rates for these mutants. This analysis illustrates that mutations distal to the active site can introduce nonlocal structural perturbations and significantly impact the catalytic rate by altering the conformational motions of the entire enzyme and the probability of sampling conformations conducive to the catalyzed reaction.

Chemical Kinetics of the TPS and Base Bleeding During Flight Test

NASA Technical Reports Server (NTRS)

Osipov, Viatcheslav; Ponizhovskaya, Ekaterina; Hafiychuck, Halyna; Luchinsky, Dmitry; Smelyanskiy, Vadim; Dagostino, Mark; Canabal, Francisco; Mobley, Brandon L.

2012-01-01

The present research deals with thermal degradation of polyurethane foam (PUF) during flight test. Model of thermal decomposition was developed that accounts for polyurethane kinetics parameters extracted from thermogravimetric analyses and radial heat losses to the surrounding environment. The model predicts mass loss of foam, the temperature and kinetic of release of the exhaust gases and char as function of heat and radiation loads. When PUF is heated, urethane bond break into polyol and isocyanate. In the first stage, isocyanate pyrolyses and oxidizes. As a result, the thermo-char and oil droplets (yellow smoke) are released. In the second decomposition stage, pyrolysis and oxidization of liquid polyol occur. Next, the kinetics of chemical compound release and the information about the reactions occurring in the base area are coupled to the CFD simulations of the base flow in a single first stage motor vertically stacked vehicle configuration. The CFD simulations are performed to estimate the contribution of the hot out-gassing, chemical reactions, and char oxidation to the temperature rise of the base flow. The results of simulations are compared with the flight test data.

Simulation and experimental research of heat leakage of cryogenic transfer lines

NASA Astrophysics Data System (ADS)

Deng, B. C.; Xie, X. J.; Pan, W.; Jiang, R. X.; Li, J.; Yang, S. Q.; Li, Q.

2017-12-01

The heat leakage of cryogenic transfer lines directly influences the performance of large-scale helium refrigerator. In this paper, a thermal model of cryogenic transfer line considering numerical simulation of support coupled with MLI was established. To validate the model, test platform of cryogenic transfer lines with the merits of disassembly outer pipe and changeable easily multi-layer insulation has been built. The experimental results of heat leakage through overall length of cryogenic transfer lines, support and multi-layer insulation were obtained. The heat leakages of multi-layer insulation, a support and the overall leakage are 1.02 W/m, 0.44 W and 1.46 W/m from experimental data, respectively. The difference of heat leakage of MLI between experiment and simulation were less than 5%. The temperature distribution of support and MLI obtained in presented model in good agreement with experimental data. It is expected to reduce the overall heat leakage of cryogenic transfer lines further by optimizing structure of support based on the above thermal model and test platform in this paper.

Simulation of mixed convection in a horizontal channel heated from below by the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Sahraoui, Nassim M.; Houat, Samir; Saidi, Nawal

2017-05-01

We perform a contribution with a simulation study of the mixed convection in horizontal channel heated from below. The lattice Boltzmann method (LBM) is used with the Boussinesq approximation to solve the coupled phenomenon that governs the systems thermo-hydrodynamics. The double populations thermal lattice Boltzmann model (TLBM) is used with the D2Q5 for the thermal field and D2Q9 model for the dynamic field. A comparison of the results of the averaged Nusselt number obtained by the TLBM with other references is presented for an area stretching. The streamlines, the vortices, the isotherms, the velocity profiles and other parameters of the study, are presented at a certain time tT which is chosen arbitrarily. The results presented here are in good agreement with those reported in the scientific literature which gives us high expectations about the reliability of the TLBM to simulate this kind of physical phenomena. Contribution to the topical issue "Materials for Energy harvesting, conversion and storage II (ICOME 2016)", edited by Jean-Michel Nunzi, Rachid Bennacer and Mohammed El Ganaoui

Thermal investigation of an internally cooled strut injector for scramjet application at moderate and hot gas conditions

NASA Astrophysics Data System (ADS)

Dröske, Nils C.; Förster, Felix J.; Weigand, Bernhard; von Wolfersdorf, Jens

2017-03-01

In this paper, we present a combined experimental and numerical approach to assess the thermal loads and the cooling mechanism of an internally cooled strut injector for a supersonic combustion ramjet. Infrared measurements of the injector surface are conducted at a moderate external flow temperature. In addition, the main flow field is investigated with the LITA technique. Main features of the cooling mechanism are identified based on experimental data. However, a full evaluation can only be obtained using a complex, conjugate CFD simulation, which couples the external and internal flow fields to the heat conduction inside the injector body. Furthermore, numerical simulations are also presented for hot gas conditions corresponding to combustion experiments. Both hydrogen, which would be used as fuel for flight tests, and air are considered as coolants. While the main features of the cooling mechanism will be shown to remain unchanged, the combustor wall temperature is found to have a significant influence on the cooling. This emphasizes the importance and the usefulness of such complex conjugate numerical simulations.

Development of the US3D Code for Advanced Compressible and Reacting Flow Simulations

NASA Technical Reports Server (NTRS)

Candler, Graham V.; Johnson, Heath B.; Nompelis, Ioannis; Subbareddy, Pramod K.; Drayna, Travis W.; Gidzak, Vladimyr; Barnhardt, Michael D.

2015-01-01

Aerothermodynamics and hypersonic flows involve complex multi-disciplinary physics, including finite-rate gas-phase kinetics, finite-rate internal energy relaxation, gas-surface interactions with finite-rate oxidation and sublimation, transition to turbulence, large-scale unsteadiness, shock-boundary layer interactions, fluid-structure interactions, and thermal protection system ablation and thermal response. Many of the flows have a large range of length and time scales, requiring large computational grids, implicit time integration, and large solution run times. The University of Minnesota NASA US3D code was designed for the simulation of these complex, highly-coupled flows. It has many of the features of the well-established DPLR code, but uses unstructured grids and has many advanced numerical capabilities and physical models for multi-physics problems. The main capabilities of the code are described, the physical modeling approaches are discussed, the different types of numerical flux functions and time integration approaches are outlined, and the parallelization strategy is overviewed. Comparisons between US3D and the NASA DPLR code are presented, and several advanced simulations are presented to illustrate some of novel features of the code.

A stream temperature model for the Peace-Athabasca River basin

NASA Astrophysics Data System (ADS)

Morales-Marin, L. A.; Rokaya, P.; Wheater, H. S.; Lindenschmidt, K. E.

2017-12-01

Water temperature plays a fundamental role in water ecosystem functioning. Because it regulates flow energy and metabolic rates in organism productivity over a broad spectrum of space and time scales, water temperature constitutes an important indicator of aquatic ecosystems health. In cold region basins, stream water temperature modelling is also fundamental to predict ice freeze-up and break-up events in order to improve flood management. Multiple model approaches such as linear and multivariable regression methods, neural network and thermal energy budged models have been developed and implemented to simulate stream water temperature. Most of these models have been applied to specific stream reaches and trained using observed data, but very little has been done to simulate water temperature in large catchment river networks. We present the coupling of RBM model, a semi-Lagrangian water temperature model for advection-dominated river system, and MESH, a semi-distributed hydrological model, to simulate stream water temperature in river catchments. The coupled models are implemented in the Peace-Athabasca River basin in order to analyze the variation in stream temperature regimes under changing hydrological and meteorological conditions. Uncertainty of stream temperature simulations is also assessed in order to determine the degree of reliability of the estimates.

The critical particle size for enhancing thermal conductivity in metal nanoparticle-polymer composites

NASA Astrophysics Data System (ADS)

Lu, Zexi; Wang, Yan; Ruan, Xiulin

2018-02-01

Polymers used as thermal interface materials are often filled with high-thermal conductivity particles to enhance the thermal performance. Here, we have combined molecular dynamics and the two-temperature model in 1D to investigate the impact of the metal filler size on the overall thermal conductivity. A critical particle size has been identified above which thermal conductivity enhancement can be achieved, caused by the interplay between high particle thermal conductivity and the added electron-phonon and phonon-phonon thermal boundary resistance brought by the particle fillers. Calculations on the SAM/Au/SAM (self-assembly-monolayer) system show a critical thickness Lc of around 10.8 nm. Based on the results, we define an effective thermal conductivity and propose a new thermal circuit analysis approach for the sandwiched metal layer that can intuitively explain simulation and experimental data. The results show that when the metal layer thickness decreases to be much smaller than the electron-phonon cooling length (or as the "thin limit"), the effective thermal conductivity is just the phonon portion, and electrons do not participate in thermal transport. As the thickness increases to the "thick limit," the effective thermal conductivity recovers the metal bulk value. Several factors that could affect Lc are discussed, and it is discovered that the thermal conductivity, thermal boundary resistance, and the electron-phonon coupling factor are all important in controlling Lc.

Modeling of Disordered Binary Alloys Under Thermal Forcing: Effect of Nanocrystallite Dissociation on Thermal Expansion of AuCu3

NASA Astrophysics Data System (ADS)

Kim, Y. W.; Cress, R. P.

2016-11-01

Disordered binary alloys are modeled as a randomly close-packed assembly of nanocrystallites intermixed with randomly positioned atoms, i.e., glassy-state matter. The nanocrystallite size distribution is measured in a simulated macroscopic medium in two dimensions. We have also defined, and measured, the degree of crystallinity as the probability of a particle being a member of nanocrystallites. Both the distribution function and the degree of crystallinity are found to be determined by alloy composition. When heated, the nanocrystallites become smaller in size due to increasing thermal fluctuation. We have modeled this phenomenon as a case of thermal dissociation by means of the law of mass action. The crystallite size distribution function is computed for AuCu3 as a function of temperature by solving some 12 000 coupled algebraic equations for the alloy. The results show that linear thermal expansion of the specimen has contributions from the temperature dependence of the degree of crystallinity, in addition to respective thermal expansions of the nanocrystallites and glassy-state matter.

An Approximate Ablative Thermal Protection System Sizing Tool for Entry System Design

NASA Technical Reports Server (NTRS)

Dec, John A.; Braun, Robert D.

2005-01-01

A computer tool to perform entry vehicle ablative thermal protection systems sizing has been developed. Two options for calculating the thermal response are incorporated into the tool. One, an industry-standard, high-fidelity ablation and thermal response program was integrated into the tool, making use of simulated trajectory data to calculate its boundary conditions at the ablating surface. Second, an approximate method that uses heat of ablation data to estimate heat shield recession during entry has been coupled to a one-dimensional finite-difference calculation that calculates the in-depth thermal response. The in-depth solution accounts for material decomposition, but does not account for pyrolysis gas energy absorption through the material. Engineering correlations are used to estimate stagnation point convective and radiative heating as a function of time. The sizing tool calculates recovery enthalpy, wall enthalpy, surface pressure, and heat transfer coefficient. Verification of this tool is performed by comparison to past thermal protection system sizings for the Mars Pathfinder and Stardust entry systems and calculations are performed for an Apollo capsule entering the atmosphere at lunar and Mars return speeds.

An Approximate Ablative Thermal Protection System Sizing Tool for Entry System Design

NASA Technical Reports Server (NTRS)

Dec, John A.; Braun, Robert D.

2006-01-01

A computer tool to perform entry vehicle ablative thermal protection systems sizing has been developed. Two options for calculating the thermal response are incorporated into the tool. One, an industry-standard, high-fidelity ablation and thermal response program was integrated into the tool, making use of simulated trajectory data to calculate its boundary conditions at the ablating surface. Second, an approximate method that uses heat of ablation data to estimate heat shield recession during entry has been coupled to a one-dimensional finite-difference calculation that calculates the in-depth thermal response. The in-depth solution accounts for material decomposition, but does not account for pyrolysis gas energy absorption through the material. Engineering correlations are used to estimate stagnation point convective and radiative heating as a function of time. The sizing tool calculates recovery enthalpy, wall enthalpy, surface pressure, and heat transfer coefficient. Verification of this tool is performed by comparison to past thermal protection system sizings for the Mars Pathfinder and Stardust entry systems and calculations are performed for an Apollo capsule entering the atmosphere at lunar and Mars return speeds.

Dynamic Angular Control Of Thermal Therapy With Stationary Multi-Sectored Tubular Ultrasound Applicators Under MR Temperature Monitoring

NASA Astrophysics Data System (ADS)

Kinsey, Adam M.; Diederich, Chris J.; Nau, William H.; Ross, Anthony B.; Butts Pauly, Kim; Rieke, Viola; Sommer, Graham

2006-05-01

Multi-sectored ultrasound heating applicators with dynamic angular and longitudinal control of heating profiles are being investigated for the thermal treatment of tumors in sites such as prostate, uterus, and brain. Multi-sectored tubular ultrasound transducers with independent sector power control were incorporated into interstitial and transurethral applicators and provided dynamic angular control of a heating pattern without requiring device manipulation during treatment. Acoustic beam measurements of each applicator type demonstrated a 35-40° acoustic dead zone between each independent sector, with negligible mechanical or electrical coupling. Despite the acoustic dead zone between sectors, simulations and experiments under MR temperature (MRT) monitoring showed that the variance from the maximum lesion radius (scalloping) with all elements activated on a transducer was minimal and did not affect conformal heating of a target area. A biothermal model with a multi-point controller was used to adjust the applied power and treatment time of individual transducer segments as the tissue temperature changed in simulations of thermal lesions with both interstitial and transurethral applicators. Transurethral ultrasound applicators for benign prostatic hyperplasia (BPH) treatment with either three or four sectors conformed a thermal dose to a simulated target area in the angular and radial dimensions. The simulated treatment was controlled to a maximum temperature of 85°C, and had a maximum duration of 5 min when power was turned off as the 52°C temperature contour reach a predetermined control point for each sector in the tissue. Experiments conducted with multi-sectored applicators under MRT monitoring showed thermal ablation and hyperthermia treatments had little or no border `scalloping', conformed to a pretreatment target area, and correlated very well with the simulated thermal lesions. The radial penetration of the heat treatments in tissue with interstitial (1.5-1.8 mm OD transducer) and transurethral (2.5-4.0 mm OD transducer) applicators was at least 1.5 cm and 2.0 cm, respectively, for a treatment duration of 10 min. Angular control of thermal ablation and hyperthermia therapy often relies upon non-adjustable angular power deposition patterns and/or mechanical manipulation of the heating device. The multi-sectored ultrasound applicators developed in this study provide dynamic control of the angular heating distribution during treatment without device manipulation and maintain previously reported heating penetration and spatial control characteristics of similar ultrasound devices.

Thermal gravitational separation of ternary mixture n-dodecane/isobutylbenzene/tetralin components in a porous medium

NASA Astrophysics Data System (ADS)

Larabi, Mohamed Aziz; Mutschler, Dimitri; Mojtabi, Abdelkader

2016-06-01

Our present work focuses on the coupling between thermal diffusion and convection in order to improve the thermal gravitational separation of mixture components. The separation phenomenon was studied in a porous medium contained in vertical columns. We performed analytical and numerical simulations to corroborate the experimental measurements of the thermal diffusion coefficients of ternary mixture n-dodecane, isobutylbenzene, and tetralin obtained in microgravity in the international space station. Our approach corroborates the existing data published in the literature. The authors show that it is possible to quantify and to optimize the species separation for ternary mixtures. The authors checked, for ternary mixtures, the validity of the "forgotten effect hypothesis" established for binary mixtures by Furry, Jones, and Onsager. Two complete and different analytical resolution methods were used in order to describe the separation in terms of Lewis numbers, the separation ratios, the cross-diffusion coefficients, and the Rayleigh number. The analytical model is based on the parallel flow approximation. In order to validate this model, a numerical simulation was performed using the finite element method. From our new approach to vertical separation columns, new relations for mass fraction gradients and the optimal Rayleigh number for each component of the ternary mixture were obtained.

Numerical evaluation of lactoperoxidase inactivation during continuous pulsed electric field processing.

PubMed

Buckow, Roman; Semrau, Julius; Sui, Qian; Wan, Jason; Knoerzer, Kai

2012-01-01

A computational fluid dynamics (CFD) model describing the flow, electric field and temperature distribution of a laboratory-scale pulsed electric field (PEF) treatment chamber with co-field electrode configuration was developed. The predicted temperature increase was validated by means of integral temperature studies using thermocouples at the outlet of each flow cell for grape juice and salt solutions. Simulations of PEF treatments revealed intensity peaks of the electric field and laminar flow conditions in the treatment chamber causing local temperature hot spots near the chamber walls. Furthermore, thermal inactivation kinetics of lactoperoxidase (LPO) dissolved in simulated milk ultrafiltrate were determined with a glass capillary method at temperatures ranging from 65 to 80 °C. Temperature dependence of first order inactivation rate constants was accurately described by the Arrhenius equation yielding an activation energy of 597.1 kJ mol(-1). The thermal impact of different PEF processes on LPO activity was estimated by coupling the derived Arrhenius model with the CFD model and the predicted enzyme inactivation was compared to experimental measurements. Results indicated that LPO inactivation during combined PEF/thermal treatments was largely due to thermal effects, but 5-12% enzyme inactivation may be related to other electro-chemical effects occurring during PEF treatments. Copyright © 2012 American Institute of Chemical Engineers (AIChE).

3D thermal modeling of TRISO fuel coupled with neutronic simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Jianwei; Uddin, Rizwan

2010-01-01

The Very High Temperature Gas Reactor (VHTR) is widely considered as one of the top candidates identified in the Next Generation Nuclear Power-plant (NGNP) Technology Roadmap under the U.S . Depanment of Energy's Generation IV program. TRlSO particle is a common element among different VHTR designs and its performance is critical to the safety and reliability of the whole reactor. A TRISO particle experiences complex thermo-mechanical changes during reactor operation in high temperature and high burnup conditions. TRISO fuel performance analysis requires evaluation of these changes on micro scale. Since most of these changes are temperature dependent, 3D thermal modelingmore » of TRISO fuel is a crucial step of the whole analysis package. In this paper, a 3D numerical thermal model was developed to calculate temperature distribution inside TRISO and pebble under different scenarios. 3D simulation is required because pebbles or TRISOs are always subjected to asymmetric thermal conditions since they are randomly packed together. The numerical model was developed using finite difference method and it was benchmarked against ID analytical results and also results reported from literature. Monte-Carlo models were set up to calculate radial power density profile. Complex convective boundary condition was applied on the pebble outer surface. Three reactors were simulated using this model to calculate temperature distribution under different power levels. Two asymmetric boundary conditions were applied to the pebble to test the 3D capabilities. A gas bubble was hypothesized inside the TRISO kernel and 3D simulation was also carried out under this scenario. Intuition-coherent results were obtained and reported in this paper.« less

The thermochemical, two-phase dynamics of subduction zones: results from new, fully coupled models

NASA Astrophysics Data System (ADS)

Rees Jones, D. W.; Katz, R. F.; May, D.; Tian, M.; Rudge, J. F.

2017-12-01

Subduction zones are responsible for most of Earth's subaerial volcanism. However, previous geodynamic modelling of subduction zones has largely neglected magmatism. We previously showed that magmatism has a significant thermal impact, by advecting sensible heat into the lithosphere beneath arc volcanos [1]. Inclusion of this effect helps reconcile subduction zone models with petrological and heat flow observations. Many important questions remain, including how magma-mantle dynamics of subduction zones affects the position of arc volcanos and the character of their lavas. In this presentation, we employ a fully coupled, thermochemical, two-phase flow theory to investigate the dynamics of subduction zones. We present the first results from our new software (SubFUSc), which solves the coupled equations governing conservation of mass, momentum, energy and chemical species. The presence and migration of partial melts affect permeability and mantle viscosity (both directly and through their thermal impact); these, in turn, feed back on the magma-mantle flow. Thus our fully coupled modelling improves upon previous two-phase models that decoupled the governing equations and fixed the thermal structure [2]. To capture phase change, we use a novel, simplified model of the mantle melting in the presence of volatile species. As in the natural system, volatiles are associated with low-degree melting at temperatures beneath the anhydrous solidus; dehydration reactions in the slab supply volatiles into the wedge, triggering silicic melting. We simulate the migration of melts under buoyancy forces and dynamic pressure gradients. We thereby demonstrate the dynamical controls on the pattern of subduction-zone volcanism (particularly its location, magnitude, and chemical composition). We build on our previous study of the thermal consequences of magma genesis and segregation. We address the question of what controls the location of arc volcanoes themselves [3]. [1] Rees Jones, D. W., Katz, R. F., Tian, M and Rudge, J. F. (2017). Thermal impact of magmatism in subduction zones. arxiv.org/abs/1701.02550 [2] Wilson, C. R., Spiegelman, M., van Keken, P. E., & Hacker, B. R. (2014). EPSL, doi:10.1016/j.epsl.2014.05.052 [3] England, P. C., Katz, Richard F. (2010). Nature, doi:10.1038/nature09417

Regression-based reduced-order models to predict transient thermal output for enhanced geothermal systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mudunuru, Maruti Kumar; Karra, Satish; Harp, Dylan Robert

Reduced-order modeling is a promising approach, as many phenomena can be described by a few parameters/mechanisms. An advantage and attractive aspect of a reduced-order model is that it is computational inexpensive to evaluate when compared to running a high-fidelity numerical simulation. A reduced-order model takes couple of seconds to run on a laptop while a high-fidelity simulation may take couple of hours to run on a high-performance computing cluster. The goal of this paper is to assess the utility of regression-based reduced-order models (ROMs) developed from high-fidelity numerical simulations for predicting transient thermal power output for an enhanced geothermal reservoirmore » while explicitly accounting for uncertainties in the subsurface system and site-specific details. Numerical simulations are performed based on equally spaced values in the specified range of model parameters. Key sensitive parameters are then identified from these simulations, which are fracture zone permeability, well/skin factor, bottom hole pressure, and injection flow rate. We found the fracture zone permeability to be the most sensitive parameter. The fracture zone permeability along with time, are used to build regression-based ROMs for the thermal power output. The ROMs are trained and validated using detailed physics-based numerical simulations. Finally, predictions from the ROMs are then compared with field data. We propose three different ROMs with different levels of model parsimony, each describing key and essential features of the power production curves. The coefficients in the proposed regression-based ROMs are developed by minimizing a non-linear least-squares misfit function using the Levenberg–Marquardt algorithm. The misfit function is based on the difference between numerical simulation data and reduced-order model. ROM-1 is constructed based on polynomials up to fourth order. ROM-1 is able to accurately reproduce the power output of numerical simulations for low values of permeabilities and certain features of the field-scale data. ROM-2 is a model with more analytical functions consisting of polynomials up to order eight, exponential functions and smooth approximations of Heaviside functions, and accurately describes the field-data. At higher permeabilities, ROM-2 reproduces numerical results better than ROM-1, however, there is a considerable deviation from numerical results at low fracture zone permeabilities. ROM-3 consists of polynomials up to order ten, and is developed by taking the best aspects of ROM-1 and ROM-2. ROM-1 is relatively parsimonious than ROM-2 and ROM-3, while ROM-2 overfits the data. ROM-3 on the other hand, provides a middle ground for model parsimony. Based on R 2-values for training, validation, and prediction data sets we found that ROM-3 is better model than ROM-2 and ROM-1. For predicting thermal drawdown in EGS applications, where high fracture zone permeabilities (typically greater than 10 –15 m 2) are desired, ROM-2 and ROM-3 outperform ROM-1. As per computational time, all the ROMs are 10 4 times faster when compared to running a high-fidelity numerical simulation. In conclusion, this makes the proposed regression-based ROMs attractive for real-time EGS applications because they are fast and provide reasonably good predictions for thermal power output.« less

Regression-based reduced-order models to predict transient thermal output for enhanced geothermal systems

DOE PAGES

Mudunuru, Maruti Kumar; Karra, Satish; Harp, Dylan Robert; ...

2017-07-10

Reduced-order modeling is a promising approach, as many phenomena can be described by a few parameters/mechanisms. An advantage and attractive aspect of a reduced-order model is that it is computational inexpensive to evaluate when compared to running a high-fidelity numerical simulation. A reduced-order model takes couple of seconds to run on a laptop while a high-fidelity simulation may take couple of hours to run on a high-performance computing cluster. The goal of this paper is to assess the utility of regression-based reduced-order models (ROMs) developed from high-fidelity numerical simulations for predicting transient thermal power output for an enhanced geothermal reservoirmore » while explicitly accounting for uncertainties in the subsurface system and site-specific details. Numerical simulations are performed based on equally spaced values in the specified range of model parameters. Key sensitive parameters are then identified from these simulations, which are fracture zone permeability, well/skin factor, bottom hole pressure, and injection flow rate. We found the fracture zone permeability to be the most sensitive parameter. The fracture zone permeability along with time, are used to build regression-based ROMs for the thermal power output. The ROMs are trained and validated using detailed physics-based numerical simulations. Finally, predictions from the ROMs are then compared with field data. We propose three different ROMs with different levels of model parsimony, each describing key and essential features of the power production curves. The coefficients in the proposed regression-based ROMs are developed by minimizing a non-linear least-squares misfit function using the Levenberg–Marquardt algorithm. The misfit function is based on the difference between numerical simulation data and reduced-order model. ROM-1 is constructed based on polynomials up to fourth order. ROM-1 is able to accurately reproduce the power output of numerical simulations for low values of permeabilities and certain features of the field-scale data. ROM-2 is a model with more analytical functions consisting of polynomials up to order eight, exponential functions and smooth approximations of Heaviside functions, and accurately describes the field-data. At higher permeabilities, ROM-2 reproduces numerical results better than ROM-1, however, there is a considerable deviation from numerical results at low fracture zone permeabilities. ROM-3 consists of polynomials up to order ten, and is developed by taking the best aspects of ROM-1 and ROM-2. ROM-1 is relatively parsimonious than ROM-2 and ROM-3, while ROM-2 overfits the data. ROM-3 on the other hand, provides a middle ground for model parsimony. Based on R 2-values for training, validation, and prediction data sets we found that ROM-3 is better model than ROM-2 and ROM-1. For predicting thermal drawdown in EGS applications, where high fracture zone permeabilities (typically greater than 10 –15 m 2) are desired, ROM-2 and ROM-3 outperform ROM-1. As per computational time, all the ROMs are 10 4 times faster when compared to running a high-fidelity numerical simulation. In conclusion, this makes the proposed regression-based ROMs attractive for real-time EGS applications because they are fast and provide reasonably good predictions for thermal power output.« less

Thermo-hydrological and chemical (THC) modeling to support Field Test Design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stauffer, Philip H.; Jordan, Amy B.; Harp, Dylan Robert

This report summarizes ongoing efforts to simulate coupled thermal-hydrological-chemical (THC) processes occurring within a hypothetical high-level waste (HLW) repository in bedded salt. The report includes work completed since the last project deliverable, “Coupled model for heat and water transport in a high level waste repository in salt”, a Level 2 milestone submitted to DOE in September 2013 (Stauffer et al., 2013). Since the last deliverable, there have been code updates to improve the integration of the salt module with the pre-existing code and development of quality assurance (QA) tests of constitutive functions and precipitation/dissolution reactions. Simulations of bench-scale experiments, bothmore » historical and currently in the planning stages have been performed. Additional simulations have also been performed on the drift-scale model that incorporate new processes, such as an evaporation function to estimate water vapor removal from the crushed salt backfill and isotopic fractionation of water isotopes. Finally, a draft of a journal paper on the importance of clay dehydration on water availability is included as Appendix I.« less

Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol.

PubMed

Nenov, Artur; Mukamel, Shaul; Garavelli, Marco; Rivalta, Ivan

2015-08-11

First-principles simulations of two-dimensional electronic spectroscopy in the ultraviolet region (2DUV) require computationally demanding multiconfigurational approaches that can resolve doubly excited and charge transfer states, the spectroscopic fingerprints of coupled UV-active chromophores. Here, we propose an efficient approach to reduce the computational cost of accurate simulations of 2DUV spectra of benzene, phenol, and their dimer (i.e., the minimal models for studying electronic coupling of UV-chromophores in proteins). We first establish the multiconfigurational recipe with the highest accuracy by comparison with experimental data, providing reference gas-phase transition energies and dipole moments that can be used to construct exciton Hamiltonians involving high-lying excited states. We show that by reducing the active spaces and the number of configuration state functions within restricted active space schemes, the computational cost can be significantly decreased without loss of accuracy in predicting 2DUV spectra. The proposed recipe has been successfully tested on a realistic model proteic system in water. Accounting for line broadening due to thermal and solvent-induced fluctuations allows for direct comparison with experiments.

Computational Analysis of Arc-Jet Wedge Tests Including Ablation and Shape Change

NASA Technical Reports Server (NTRS)

Goekcen, Tahir; Chen, Yih-Kanq; Skokova, Kristina A.; Milos, Frank S.

2010-01-01

Coupled fluid-material response analyses of arc-jet wedge ablation tests conducted in a NASA Ames arc-jet facility are considered. These tests were conducted using blunt wedge models placed in a free jet downstream of the 6-inch diameter conical nozzle in the Ames 60-MW Interaction Heating Facility. The fluid analysis includes computational Navier-Stokes simulations of the nonequilibrium flowfield in the facility nozzle and test box as well as the flowfield over the models. The material response analysis includes simulation of two-dimensional surface ablation and internal heat conduction, thermal decomposition, and pyrolysis gas flow. For ablating test articles undergoing shape change, the material response and fluid analyses are coupled in order to calculate the time dependent surface heating and pressure distributions that result from shape change. The ablating material used in these arc-jet tests was Phenolic Impregnated Carbon Ablator. Effects of the test article shape change on fluid and material response simulations are demonstrated, and computational predictions of surface recession, shape change, and in-depth temperatures are compared with the experimental measurements.

Modeling Heat Loss through Piston and Effects of Thermal Boundary Coatings in Diesel Engine Simulations using Conjugate Heat Transfer models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kundu, Prithwish; Scarcelli, Riccardo; Som, Sibendu

Heat loss through wall boundaries play a dominant role in the overall performance and efficiency of internal combustion engines. Typical engine simulations use constant temperature wall boundary conditions. These boundary conditions cannot be estimated accurately from experiments due to the complexities involved with engine combustion. As a result they introduce a large uncertainty in engine simulations and serve as a tuning parameter. Modeling the process of heat transfer through the solid walls in an unsteady engine computational fluid dynamics (CFD) simulation can lead to the development of higher fidelity engine calculations. These models can be used to study the impactmore » of heat loss on engine efficiency and explore new design methodologies that can reduce heat losses. In this work, a single cylinder diesel engine is modeled along with the solid piston coupled to the fluid domain. Conjugate heat transfer (CHT) modeling techniques were implemented to model heat losses for a full cycle of a Navistar diesel engine. This CFD model is then validated against experimental data available from thermocouples embedded inside the piston surface. The overall predictions from the model match closely with the experimental observations. The validated model is further used to explore the benefits of thermal barrier coatings (TBC) on piston bowls. The effect of TBC coatings were modeled as a thermal resistance in the heat transfer models. Full cycle 3D engine simulations provide quantitative insights into heat loss and thus calculate the efficiency gain by the use of TBC coatings. The work establishes a validated modeling framework for CHT modeling in reciprocating engine simulations.« less

Swift Observatory Space Simulation Testing

NASA Technical Reports Server (NTRS)

Espiritu, Mellina; Choi, Michael K.; Scocik, Christopher S.

2004-01-01

The Swift Observatory is a Middle-Class Explorer (MIDEX) mission that is a rapidly re-pointing spacecraft with immediate data distribution capability to the astronomical community. Its primary objectives are to characterize and determine the origin of Gamma Ray Bursts (GRBs) and to use the collected data on GRB phenomena in order to probe the universe and gain insight into the physics of black hole formation and early universe. The main components of the spacecraft are the Burst Alert Telescope (BAT), Ultraviolet and Optical Telescope (UVOT), X-Ray Telescope (XRT), and Optical Bench (OB) instruments coupled with the Swift spacecraft (S/C) bus. The Swift Observatory will be tested at the Space Environment Simulation (SES) chamber at the Goddard Space Flight Center from May to June 2004 in order to characterize its thermal behavior in a vacuum environment. In order to simulate the independent thermal zones required by the BAT, XRT, UVOT, and OB instruments, the spacecraft is mounted on a chariot structure capable of maintaining adiabatic interfaces and enclosed in a modified, four section MSX fixture in order to accommodate the strategic placement of seven cryopanels (on four circuits), four heater panels, and a radiation source burst simulator mechanism. There are additionally 55 heater circuits on the spacecraft. To mitigate possible migration of silicone contaminants from BAT to the XRT and UVOT instruments, a contamination enclosure is to be fabricated around the BAT at the uppermost section of the MSX fixture. This paper discuses the test requirements and implemented thermal vacuum test configuration for the Swift Observatory.

Geoscience Laser Altimeter System (GLAS) Final Test Report of DM LHP TV Testing

NASA Technical Reports Server (NTRS)

Baker, Charles

2000-01-01

Two loop heat pipes (LHPs) are to be used for thermal control of the Geoscience Laser Altimeter System (GLAS), planned for flight in 2001. One LHP will be used to transport 100 W from a laser to the radiator, the other will transport 210 W from electronic boxes to the radiator. In order to verify the LHP design for the GLAS application, an LHP Development Model has been fabricated, and ambient and thermal vacuum tested. Two aluminum blocks of 15 kg and 30 kg, respectively, were attached to the LHP to simulate the thermal masses connected to the heat sources. A 20 W starter heater was installed on the evaporator to aid the loop startup. A new concept to thermally couple the vapor and liquid line was also incorporated in the LHP design. Such a thermal coupling would reduce the power requirement on the compensation chamber in order to maintain the loop set point temperature. To avoid freezing of the liquid in the condenser during cold cases, propylene was selected as the working fluid. The LHP was tested under reflux mode and with adverse elevation. Tests conducted included start-up, power cycle, steady state and transient operation during hot and cold cases, and heater power requirements for the set point temperature control of the LHP. Test results showed very successful operation of the LHP under all conditions. The 20 W starter heater proved necessary in order to start the loop when a large thermal mass was attached to the evaporator. The thermal coupling between the liquid line and the vapor line significantly reduced the heater power required for loop temperature control, which was less than 5 watts in all cases, including a cold radiator. The test also demonstrated successful operation with a propylene working fluid, with successful startups with condenser temperatures as low as 100 C. Furthermore, the test demonstrated accurate control of the loop operating temperature within +/- 0.2 C, and a successful shutdown of the loop during the survival mode of operation.

Modeling Chilled-Water Storage System Components for Coupling to a Small Modular Reactor in a Nuclear Hybrid Energy System

NASA Astrophysics Data System (ADS)

Misenheimer, Corey Thomas

The intermittency of wind and solar power puts strain on electric grids, often forcing carbonbased and nuclear sources of energy to operate in a load-follow mode. Operating nuclear reactors in a load-follow fashion is undesirable due to the associated thermal and mechanical stresses placed on the fuel and other reactor components. Various Thermal Energy Storage (TES) elements and ancillary energy applications can be coupled to nuclear (or renewable) power sources to help absorb grid instabilities caused by daily electric demand changes and renewable intermittency, thereby forming the basis of a candidate Nuclear Hybrid Energy System (NHES). During the warmer months of the year in many parts of the country, facility air-conditioning loads are significant contributors to the increase in the daily peak electric demand. Previous research demonstrated that a stratified chilled-water storage tank can displace peak cooling loads to off-peak hours. Based on these findings, the objective of this work is to evaluate the prospect of using a stratified chilled-water storage tank as a potential TES reservoir for a nuclear reactor in a NHES. This is accomplished by developing time-dependent models of chilled-water system components, including absorption chillers, cooling towers, a storage tank, and facility cooling loads appropriate for a large office space or college campus, as a callable FORTRAN subroutine. The resulting TES model is coupled to a high-fidelity mPower-sized Small Modular Reactor (SMR) Simulator, with the goal of utilizing excess reactor capacity to operate several sizable chillers in order to keep reactor power constant. Chilled-water production via single effect, lithium bromide (LiBr) absorption chillers is primarily examined in this study, although the use of electric chillers is briefly explored. Absorption chillers use hot water or low-pressure steam to drive an absorption-refrigeration cycle. The mathematical framework for a high-fidelity dynamic absorption chiller model is presented. The transient FORTRAN model is grounded on time-dependent mass, species, and energy conservation equations. Due to the vast computational costs of the high-fidelity model, a low-fidelity absorption chiller model is formulated and calibrated to mimic the behavior of the high-fidelity model. Stratified chilled-water storage tank performance is characterized using Computational Fluid Dynamics (CFD). The geometry employed in the CFD model represents a 5-million-gallon storage tank currently in use at a North Carolina college campus. Simulation results reveal the laminar numerical model most closely aligns with actual tank charging and discharging data. A subsequent parametric study corroborates storage tank behavior documented throughout literature and industry. Two absorption chiller configurations are considered. The first involves bypassing lowpressure steam from the low-pressure turbine to absorption chillers during periods of excess reactor capacity in order to keep reactor power constant. Simulation results show steam conditions downstream of the turbine control valves are a strong function of turbine load, and absorption chiller performance is hindered by reduced turbine impulse pressures at reduced turbine demands. A more suitable configuration entails integrating the absorption chillers into a flash vessel system that is thermally coupled to a sensible heat storage system. The sensible heat storage system is able to maintain reactor thermal output constant at 100% and match turbine output with several different electric demand profiles. High-pressure condensate in the sensible heat storage system is dropped across a let-down orifice and flashed in an ideal separator. Generated steam is sent to a bank of absorption chillers. Simulation results show enough steam is available during periods of reduced turbine demand to power four large absorption chillers to charge a 5-million-gallon stratified chilled-water storage tank, which is used to offset cooling loads in an adjacent facility. The coupled TES systems operating in conjunction with an SMR comprise the foundation of a tightly coupled NHES.

Thermal transport across metal–insulator interface via electron–phonon interaction.

PubMed

Zhang, Lifa; Lü, Jing-Tao; Wang, Jian-Sheng; Li, Baowen

2013-11-06

The thermal transport across a metal–insulator interface can be characterized by electron–phonon interaction through which an electron lead is coupled to a phonon lead if phonon–phonon coupling at the interface is very weak. We investigate the thermal conductance and rectification between the electron part and the phonon part using the nonequilibrium Green's function method. It is found that the thermal conductance has a nonmonotonic behavior as a function of average temperature or the coupling strength between the phonon leads in the metal part and the insulator part. The metal–insulator interface shows a clear thermal rectification effect, which can be reversed by a change in average temperature or the electron–phonon coupling.

Summary of comparison and analysis of results from exercises 1 and 2 of the OECD PBMR coupled neutronics/thermal hydraulics transient benchmark

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mkhabela, P.; Han, J.; Tyobeka, B.

2006-07-01

The Nuclear Energy Agency (NEA) of the Organization for Economic Cooperation and Development (OECD) has accepted, through the Nuclear Science Committee (NSC), the inclusion of the Pebble-Bed Modular Reactor 400 MW design (PBMR-400) coupled neutronics/thermal hydraulics transient benchmark problem as part of their official activities. The scope of the benchmark is to establish a well-defined problem, based on a common given library of cross sections, to compare methods and tools in core simulation and thermal hydraulics analysis with a specific focus on transient events through a set of multi-dimensional computational test problems. The benchmark includes three steady state exercises andmore » six transient exercises. This paper describes the first two steady state exercises, their objectives and the international participation in terms of organization, country and computer code utilized. This description is followed by a comparison and analysis of the participants' results submitted for these two exercises. The comparison of results from different codes allows for an assessment of the sensitivity of a result to the method employed and can thus help to focus the development efforts on the most critical areas. The two first exercises also allow for removing of user-related modeling errors and prepare core neutronics and thermal-hydraulics models of the different codes for the rest of the exercises in the benchmark. (authors)« less

A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oba, Yuki; Kawatsu, Tsutomu; Tachikawa, Masanori, E-mail: tachi@yokohama-cu.ac.jp

2016-08-14

The on-the-fly ab initio density functional path integral molecular dynamics (PIMD) simulations, which can account for both the nuclear quantum effect and thermal effect, were carried out to evaluate the structures and “reduced” isotropic hyperfine coupling constants (HFCCs) for muoniated and hydrogenated acetone radicals (2-muoxy-2-propyl and 2-hydoxy-2-propyl) in vacuo. The reduced HFCC value from a simple geometry optimization calculation without both the nuclear quantum effect and thermal effect is −8.18 MHz, and that by standard ab initio molecular dynamics simulation with only the thermal effect and without the nuclear quantum effect is 0.33 MHz at 300 K, where these twomore » methods cannot distinguish the difference between muoniated and hydrogenated acetone radicals. In contrast, the reduced HFCC value of the muoniated acetone radical by our PIMD simulation is 32.1 MHz, which is about 8 times larger than that for the hydrogenated radical of 3.97 MHz with the same level of calculation. We have found that the HFCC values are highly correlated with the local molecular structures; especially, the Mu—O bond length in the muoniated acetone radical is elongated due to the large nuclear quantum effect of the muon, which makes the expectation value of the HFCC larger. Although our PIMD result calculated in vacuo is about 4 times larger than the measured experimental value in aqueous solvent, the ratio of these HFCC values between muoniated and hydrogenated acetone radicals in vacuo is in reasonable agreement with the ratio of the experimental values in aqueous solvent (8.56 MHz and 0.9 MHz); the explicit presence of solvent molecules has a major effect on decreasing the reduced muon HFCC of in vacuo calculations for the quantitative reproduction.« less

Modeling thermal stress propagation during hydraulic stimulation of geothermal wells

NASA Astrophysics Data System (ADS)

Jansen, Gunnar; Miller, Stephen A.

2017-04-01

A large fraction of the world's water and energy resources are located in naturally fractured reservoirs within the earth's crust. Depending on the lithology and tectonic history of a formation, fracture networks can range from dense and homogeneous highly fractured networks to single large scale fractures dominating the flow behavior. Understanding the dynamics of such reservoirs in terms of flow and transport is crucial to successful application of engineered geothermal systems (also known as enhanced geothermal systems or EGS) for geothermal energy production in the future. Fractured reservoirs are considered to consist of two distinct separate media, namely the fracture and matrix space respectively. Fractures are generally thin, highly conductive containing only small amounts of fluid, whereas the matrix rock provides high fluid storage but typically has much smaller permeability. Simulation of flow and transport through fractured porous media is challenging due to the high permeability contrast between the fractures and the surrounding rock matrix. However, accurate and efficient simulation of flow through a fracture network is crucial in order to understand, optimize and engineer reservoirs. It has been a research topic for several decades and is still under active research. Accurate fluid flow simulations through field-scale fractured reservoirs are still limited by the power of current computer processing units (CPU). We present an efficient implementation of the embedded discrete fracture model, which is a promising new technique in modeling the behavior of enhanced geothermal systems. An efficient coupling strategy is determined for numerical performance of the model. We provide new insight into the coupled modeling of fluid flow, heat transport of engineered geothermal reservoirs with focus on the thermal stress changes during the stimulation process. We further investigate the interplay of thermal and poro-elastic stress changes in the reservoir. Combined with a analytical formulation for the injection temperatures in the open hole section of a geothermal well, the stress changes induced during the injection period of reservoir development can be studied.

Thermal Characteristics of ThermoBrachytherapy Surface Applicators (TBSA) for Treating Chestwall Recurrence

PubMed Central

Arunachalam, K.; Maccarini, P. F.; Craciunescu, O. I.; Schlorff, J. L.; Stauffer, P. R.

2010-01-01

Purpose To study temperature and thermal dose distributions of ThermoBrachytherapy Surface Applicators (TBSA) developed for concurrent or sequential high dose rate (HDR) brachytherapy and microwave hyperthermia treatment of chest wall recurrence and other superficial disease. Methods A steady state thermodynamics model coupled with the fluid dynamics of water bolus and electromagnetic radiation of hyperthermia applicator is used to characterize the temperature distributions achievable with TBSA applicators in an elliptical phantom model of the human torso. Power deposited by 915 MHz conformal microwave array (CMA) applicators is used to assess the specific absorption rate (SAR) distributions of rectangular (500 cm2) and L-shaped (875 cm2) TBSA. The SAR distribution in tissue and fluid flow distribution inside the Dual-Input Dual-Output (DIDO) water bolus are coupled to solve the steady state temperature and thermal dose distributions of rectangular TBSA (R-TBSA) for superficial tumor targets extending 10–15 mm beneath the skin surface. Thermal simulations are carried out for a range of bolus inlet temperature (Tb=38–43°C), water flow rate (Qb=2–4 L/min) and tumor blood perfusion (ωb=2–5 kg/m3/s) to characterize their influence on thermal dosimetry. Results Steady state SAR patterns of R- and L-TBSA demonstrate the ability to produce conformal and localized power deposition inside tumor target sparing surrounding normal tissues and nearby critical organs. Acceptably low variation in tissue surface cooling and surface temperature homogeneity was observed for the new DIDO bolus at 2 L/min water flow rate. Temperature depth profiles and thermal dose volume histograms indicate bolus inlet temperature (Tb) to be the most influential factor on thermal dosimetry. A 42 °C water bolus was observed to be the optimal choice for superficial tumors extending 10–15 mm from the surface even under significant blood perfusion. Lower bolus temperature may be chosen to reduce thermal enhancement ratio (TER) in the most sensitive skin where maximum radiation dose is delivered and to extend thermal enhancement of radiation dose deeper. Conclusion This computational study indicates that well-localized elevation of tumor target temperature to 40–44 °C can be accomplished by large surface-conforming TBSA applicators using appropriate selection of coupling bolus temperature. PMID:20224154

3D numerical modelling of the thermal state of deep geological nuclear waste repositories

NASA Astrophysics Data System (ADS)

Butov, R. A.; Drobyshevsky, N. I.; Moiseenko, E. V.; Tokarev, Yu. N.

2017-09-01

One of the important aspects of the high-level radioactive waste (HLW) disposal in deep geological repositories is ensuring the integrity of the engineered barriers which is, among other phenomena, considerably influenced by the thermal loads. As the HLW produce significant amount of heat, the design of the repository should maintain the balance between the cost-effectiveness of the construction and the sufficiency of the safety margins, including those imposed on the thermal conditions of the barriers. The 3D finite-element computer code FENIA was developed as a tool for simulation of thermal processes in deep geological repositories. Further the models for mechanical phenomena and groundwater hydraulics will be added resulting in a fully coupled thermo-hydro-mechanical (THM) solution. The long-term simulations of the thermal state were performed for two possible layouts of the repository. One was based on the proposed project of Russian repository, and another features larger HLW amount within the same space. The obtained results describe the spatial and temporal evolution of the temperature filed inside the repository and in the surrounding rock for 3500 years. These results show that practically all generated heat was ultimately absorbed by the host rock without any significant temperature increase. Still in the short time span even in case of smaller amount of the HLW the temperature maximum exceeds 100 °C, and for larger amount of the HLW the local temperature remains above 100 °C for considerable time. Thus, the substantiation of the long-term stability of the repository would require an extensive study of the materials properties and behaviour in order to remove the excessive conservatism from the simulations and to reduce the uncertainty of the input data.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haugen, Carl C.; Forget, Benoit; Smith, Kord S.

Most high performance computing systems being deployed currently and envisioned for the future are based on making use of heavy parallelism across many computational nodes and many concurrent cores. These types of heavily parallel systems often have relatively little memory per core but large amounts of computing capability. This places a significant constraint on how data storage is handled in many Monte Carlo codes. This is made even more significant in fully coupled multiphysics simulations, which requires simulations of many physical phenomena be carried out concurrently on individual processing nodes, which further reduces the amount of memory available for storagemore » of Monte Carlo data. As such, there has been a move towards on-the-fly nuclear data generation to reduce memory requirements associated with interpolation between pre-generated large nuclear data tables for a selection of system temperatures. Methods have been previously developed and implemented in MIT’s OpenMC Monte Carlo code for both the resolved resonance regime and the unresolved resonance regime, but are currently absent for the thermal energy regime. While there are many components involved in generating a thermal neutron scattering cross section on-the-fly, this work will focus on a proposed method for determining the energy and direction of a neutron after a thermal incoherent inelastic scattering event. This work proposes a rejection sampling based method using the thermal scattering kernel to determine the correct outgoing energy and angle. The goal of this project is to be able to treat the full S (a, ß) kernel for graphite, to assist in high fidelity simulations of the TREAT reactor at Idaho National Laboratory. The method is, however, sufficiently general to be applicable in other thermal scattering materials, and can be initially validated with the continuous analytic free gas model.« less

First-principles investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, S. X., E-mail: shu@lle.rochester.edu; Goncharov, V. N.; McCrory, R. L.

2016-04-15

Using quantum molecular-dynamics (QMD) methods based on the density functional theory, we have performed first-principles investigations of the ionization and thermal conductivity of polystyrene (CH) over a wide range of plasma conditions (ρ = 0.5 to 100 g/cm{sup 3} and T = 15 625 to 500 000 K). The ionization data from orbital-free molecular-dynamics calculations have been fitted with a “Saha-type” model as a function of the CH plasma density and temperature, which gives an increasing ionization as the CH density increases even at low temperatures (T < 50 eV). The orbital-free molecular dynamics method is only used to gauge the average ionization behavior of CH under the average-atommore » model in conjunction with the pressure-matching mixing rule. The thermal conductivities (κ{sub QMD}) of CH, derived directly from the Kohn–Sham molecular-dynamics calculations, are then analytically fitted with a generalized Coulomb logarithm [(lnΛ){sub QMD}] over a wide range of plasma conditions. When compared with the traditional ionization and thermal conductivity models used in radiation–hydrodynamics codes for inertial confinement fusion simulations, the QMD results show a large difference in the low-temperature regime in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Hydrodynamic simulations of cryogenic deuterium–tritium targets with CH ablators on OMEGA and the National Ignition Facility using the QMD-derived ionization and thermal conductivity of CH have predicted ∼20% variation in target performance in terms of hot-spot pressure and neutron yield (gain) with respect to traditional model simulations.« less

Development of a fully-consistent reduced order model to study instabilities in boiling water reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dykin, V.; Demaziere, C.

2012-07-01

A simple nonlinear Reduced Order Model to study global, regional and local instabilities in Boiling Water Reactors is described. The ROM consists of three submodels: neutron-kinetic, thermal-hydraulic and heat-transfer models. The neutron-kinetic model allows representing the time evolution of the three first neutron kinetic modes: the fundamental, the first and the second azimuthal modes. The thermal-hydraulic model describes four heated channels in order to correctly simulate out-of-phase behavior. The coupling between the different submodels is performed via both void and Doppler feedback mechanisms. After proper spatial homogenization, the governing equations are discretized in the time-domain. Several modifications, compared to othermore » existing ROMs, have been implemented, and are reported in this paper. One novelty of the ROM is the inclusion of both azimuthal modes, which allows to study combined instabilities (in-phase and out-of-phase), as well as to investigate the corresponding interference effects between them. The second modification concerns the precise estimation of so-called reactivity coefficients or C{sub mn}{sup *V,D} - coefficients by using direct cross-section data from SIMULATE-3 combined with the CORE SIM core simulator in order to calculate Eigenmodes. Furthermore, a non-uniform two-step axial power profile is introduced to simulate the separate heat production in the single and two-phase regions, respectively. An iterative procedure was developed to calculate the solution to the coupled neutron-kinetic/thermal-hydraulic static problem prior to solving the time-dependent problem. Besides, the possibility of taking into account the effect of local instabilities is demonstrated in a simplified manner. The present ROM is applied to the investigation of an actual instability that occurred at the Swedish Forsmark-1 BWR in 1996/1997. The results generated by the ROM are compared with real power plant measurements performed during stability tests and show a good qualitative agreement. The present study provides some insight in a deeper understanding of the physical principles which drive both core-wide and local instabilities. (authors)« less

Coupling Monte Carlo simulations with thermal analysis for correcting microdosimetric spectra from a novel micro-calorimeter

NASA Astrophysics Data System (ADS)

Fathi, K.; Galer, S.; Kirkby, K. J.; Palmans, H.; Nisbet, A.

2017-11-01

The high uncertainty in the Relative Biological Effectiveness (RBE) values of particle therapy beam, which are used in combination with the quantity absorbed dose in radiotherapy, together with the increase in the number of particle therapy centres worldwide necessitate a better understating of the biological effect of such modalities. The present novel study is part of performance testing and development of a micro-calorimeter based on Superconducting QUantum Interference Devices (SQUIDs). Unlike other microdosimetric detectors that are used for investigating the energy distribution, this detector provides a direct measurement of energy deposition at the micrometre scale, that can be used to improve our understanding of biological effects in particle therapy application, radiation protection and environmental dosimetry. Temperature rises of less than 1μK are detectable and when combined with the low specific heat capacity of the absorber at cryogenic temperature, extremely high energy deposition sensitivity of approximately 0.4 eV can be achieved. The detector consists of 3 layers: tissue equivalent (TE) absorber, superconducting (SC) absorber and silicon substrate. Ideally all energy would be absorbed in the TE absorber and heat rise in the superconducting layer would arise due to heat conduction from the TE layer. However, in practice direct particle absorption occurs in all 3 layers and must be corrected for. To investigate the thermal behaviour within the detector, and quantify any possible correction, particle tracks were simulated employing Geant4 (v9.6) Monte Carlo simulations. The track information was then passed to the COMSOL Multiphysics (Finite Element Method) software. The 3D heat transfer within each layer was then evaluated in a time-dependent model. For a statistically reliable outcome, the simulations had to be repeated for a large number of particles. An automated system has been developed that couples Geant4 Monte Carlo output to COMSOL for determining the expected distribution of proton tracks and their thermal contribution within the detector. The correction factor for a 3.8 MeV proton pencil beam was determined and applied to the expected spectra. The corrected microdosimetric spectra was shown to have a good agreement with the ideal spectra.

New Multi-group Transport Neutronics (PHISICS) Capabilities for RELAP5-3D and its Application to Phase I of the OECD/NEA MHTGR-350 MW Benchmark

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gerhard Strydom; Cristian Rabiti; Andrea Alfonsi

2012-10-01

PHISICS is a neutronics code system currently under development at the Idaho National Laboratory (INL). Its goal is to provide state of the art simulation capability to reactor designers. The different modules for PHISICS currently under development are a nodal and semi-structured transport core solver (INSTANT), a depletion module (MRTAU) and a cross section interpolation (MIXER) module. The INSTANT module is the most developed of the mentioned above. Basic functionalities are ready to use, but the code is still in continuous development to extend its capabilities. This paper reports on the effort of coupling the nodal kinetics code package PHISICSmore » (INSTANT/MRTAU/MIXER) to the thermal hydraulics system code RELAP5-3D, to enable full core and system modeling. This will enable the possibility to model coupled (thermal-hydraulics and neutronics) problems with more options for 3D neutron kinetics, compared to the existing diffusion theory neutron kinetics module in RELAP5-3D (NESTLE). In the second part of the paper, an overview of the OECD/NEA MHTGR-350 MW benchmark is given. This benchmark has been approved by the OECD, and is based on the General Atomics 350 MW Modular High Temperature Gas Reactor (MHTGR) design. The benchmark includes coupled neutronics thermal hydraulics exercises that require more capabilities than RELAP5-3D with NESTLE offers. Therefore, the MHTGR benchmark makes extensive use of the new PHISICS/RELAP5-3D coupling capabilities. The paper presents the preliminary results of the three steady state exercises specified in Phase I of the benchmark using PHISICS/RELAP5-3D.« less

Structure Topology Optimization of Brake Pad in Large- megawatt Wind Turbine Brake Considering Thermal- structural Coupling

NASA Astrophysics Data System (ADS)

Zhang, S. F.; Yin, J.; Liu, Y.; Sha, Z. H.; Ma, F. J.

2016-11-01

There always exists severe non-uniform wear of brake pad in large-megawatt wind turbine brake during the braking process, which has the brake pad worn out in advance and even threats the safety production of wind turbine. The root cause of this phenomenon is the non-uniform deformation caused by thermal-structural coupling effect between brake pad and disc while braking under the conditions of both high speed and heavy load. For this problem, mathematical model of thermal-structural coupling analysis is built. Based on the topology optimization method of Solid Isotropic Microstructures with Penalization, SIMP, structure topology optimization of brake pad is developed considering the deformation caused by thermal-structural coupling effect. The objective function is the minimum flexibility, and the structure topology optimization model of brake pad is established after indirect thermal- structural coupling analysis. Compared with the optimization result considering non-thermal- structural coupling, the conspicuous influence of thermal effect on brake pad wear and deformation is proven as well as the rationality of taking thermal-structural coupling effect as optimization condition. Reconstructed model is built according to the result, meanwhile analysis for verification is carried out with the same working condition. This study provides theoretical foundation for the design of high-speed and heavy-load brake pad. The new structure may provide design reference for improving the stress condition between brake pad and disc, enhancing the use ratio of friction material and increasing the working performance of large-megawatt wind turbine brake.

Cooled electronic system with thermal spreaders coupling electronics cards to cold rails

DOEpatents

Chainer, Timothy J; Gaynes, Michael A; Graybill, David P; Iyengar, Madhusudan K; Kamath, Vinod; Kochuparambil, Bejoy J; Schmidt, Roger R; Schultz, Mark D; Simco, Daniel P; Steinke, Mark E

2013-07-23

Liquid-cooled electronic systems are provided which include an electronic assembly having an electronics card and a socket with a latch at one end. The latch facilitates securing of the card within the socket or removal of the card from the socket. A liquid-cooled cold rail is disposed at the one end of the socket, and a thermal spreader couples the electronics card to the cold rail. The thermal spreader includes first and second thermal transfer plates coupled to first and second surfaces on opposite sides of the card, and thermally conductive extensions extending from end edges of the plates, which couple the respective transfer plates to the liquid-cooled cold rail. The thermally conductive extensions are disposed to the sides of the latch, and the card is securable within or removable from the socket using the latch without removing the cold rail or the thermal spreader.

A 37-mm Ceramic Gun Nozzle Stress Analysis

DTIC Science & Technology

2006-05-01

Figures iv List of Tables iv 1 . Introduction 1 2. Ceramic Nozzle Structure and Materials 1 3. Sequentially-Coupled and Fully-Coupled Thermal Stress...FEM Analysis 1 4. Ceramic Nozzle Thermal Stress Response 4 5. Ceramic Nozzle Dynamic FEM 7 6. Ceramic Nozzle Dynamic Responses and Discussions 8 7...candidate ceramics and the test fixture model components are listed in table 1 . 3. Sequentially-Coupled and Fully-Coupled Thermal Stress FEM Analysis

Effective dynamical coupling of hydrodynamics and transport for heavy-ion collisions

NASA Astrophysics Data System (ADS)

Oliinychenko, Dmytro; Petersen, Hannah

2017-04-01

Present hydrodynamics-based simulations of heavy-ion collisions neglect the feedback from the frozen-out particles flying back into the hydrodynamical region. This causes an artefact called “negative Cooper-Frye contributions”, which is negligible for high collision energies, but becomes significant for lower RHIC BES energies and for event-by-event simulations. To avoid negative Cooper-Frye contributions, while still preserving hydrodynamical behavior, we propose a pure hadronic transport approach with forced thermalization in the regions of high energy density. It is demonstrated that this approach exhibits enhancement of strangeness and mean transverse momenta compared to conventional transport - an effect typical for hydrodynamical approaches.

Progress on the Multiphysics Capabilities of the Parallel Electromagnetic ACE3P Simulation Suite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kononenko, Oleksiy

2015-03-26

ACE3P is a 3D parallel simulation suite that is being developed at SLAC National Accelerator Laboratory. Effectively utilizing supercomputer resources, ACE3P has become a key tool for the coupled electromagnetic, thermal and mechanical research and design of particle accelerators. Based on the existing finite-element infrastructure, a massively parallel eigensolver is developed for modal analysis of mechanical structures. It complements a set of the multiphysics tools in ACE3P and, in particular, can be used for the comprehensive study of microphonics in accelerating cavities ensuring the operational reliability of a particle accelerator.

Development of a New 47-Group Library for the CASL Neutronics Simulators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Kang Seog; Williams, Mark L; Wiarda, Dorothea

The CASL core simulator MPACT is under development for the neutronics and thermal-hydraulics coupled simulation for the pressurized light water reactors. The key characteristics of the MPACT code include a subgroup method for resonance self-shielding, and a whole core solver with a 1D/2D synthesis method. The ORNL AMPX/SCALE code packages have been significantly improved to support various intermediate resonance self-shielding approximations such as the subgroup and embedded self-shielding methods. New 47-group AMPX and MPACT libraries based on ENDF/B-VII.0 have been generated for the CASL core simulator MPACT of which group structure comes from the HELIOS library. The new 47-group MPACTmore » library includes all nuclear data required for static and transient core simulations. This study discusses a detailed procedure to generate the 47-group AMPX and MPACT libraries and benchmark results for the VERA progression problems.« less

Evolution of the fastest-growing relativistic mixed mode instability driven by a tenuous plasma beam in one and two dimensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dieckmann, M. E.; Frederiksen, J. T.; Bret, A.

2006-11-15

Particle-in-cell simulations confirm here that a mixed plasma mode is the fastest growing when a highly relativistic tenuous electron-proton beam interacts with an unmagnetized plasma. The mixed modes grow faster than the filamentation and two-stream modes in simulations with beam Lorentz factors {gamma} of 4, 16, and 256, and are responsible for thermalizing the electrons. The mixed modes are followed to their saturation for the case of {gamma}=4 and electron phase space holes are shown to form in the bulk plasma, while the electron beam becomes filamentary. The initial saturation is electrostatic in nature in the considered one- and two-dimensionalmore » geometries. Simulations performed with two different particle-in-cell simulation codes evidence that a finite grid instability couples energy into high-frequency electromagnetic waves, imposing simulation constraints.« less

New Rapid Evaluation for Long-Term Behavior in Deep Geological Repository by Geotechnical Centrifuge—Part 2: Numerical Simulation of Model Tests in Isothermal Condition

NASA Astrophysics Data System (ADS)

Sawada, Masataka; Nishimoto, Soshi; Okada, Tetsuji

2017-01-01

In high-level radioactive waste disposal repositories, there are long-term complex thermal, hydraulic, and mechanical (T-H-M) phenomena that involve the generation of heat from the waste, the infiltration of ground water, and swelling of the bentonite buffer. The ability to model such coupled phenomena is of particular importance to the repository design and assessments of its safety. We have developed a T-H-M-coupled analysis program that evaluates the long-term behavior around the repository (called "near-field"). We have also conducted centrifugal model tests that model the long-term T-H-M-coupled behavior in the near-field. In this study, we conduct H-M-coupled numerical simulations of the centrifugal near-field model tests. We compare numerical results with each other and with results obtained from the centrifugal model tests. From the comparison, we deduce that: (1) in the numerical simulation, water infiltration in the rock mass was in agreement with the experimental observation. (2) The constant-stress boundary condition in the centrifugal model tests may cause a larger expansion of the rock mass than in the in situ condition, but the mechanical boundary condition did not affect the buffer behavior in the deposition hole. (3) The numerical simulation broadly reproduced the measured bentonite pressure and the overpack displacement, but did not reproduce the decreasing trend of the bentonite pressure after 100 equivalent years. This indicates the effect of the time-dependent characteristics of the surrounding rock mass. Further investigations are needed to determine the effect of initial heterogeneity in the deposition hole and the time-dependent behavior of the surrounding rock mass.

Active Polymers — Emergent Conformational and Dynamical Properties: A Brief Review

NASA Astrophysics Data System (ADS)

Winkler, Roland G.; Elgeti, Jens; Gompper, Gerhard

2017-10-01

Active matter exhibits a wealth of emerging nonequilibrium behaviours. A paradigmatic example is the interior of cells, where active components, such as the cytoskeleton, are responsible for its structural organization and the dynamics of the various components. Of particular interest are the properties of polymers and filaments. The intimate coupling of thermal and active noise, hydrodynamic interactions, and polymer conformations implies the emergence of novel structural and dynamical features. In this article, we review recent theoretical and simulation developments and results for the structural and dynamical properties of polymers exposed to activity. Two- and three-dimensional filaments are considered propelled by different mechanisms such as active Brownian particles or hydrodynamically-coupled force dipoles.

Energy performance of a ventilation system for a block of apartments with a ground source heat pump as generation system

NASA Astrophysics Data System (ADS)

Lucchi, M.; Lorenzini, M.; Valdiserri, P.

2017-01-01

This work presents a numerical simulation of the annual performance of two different systems: a traditional one composed by a gas boiler-chiller pair and one consisting of a ground source heat pump (GSHP) both coupled to two thermal storage tanks. The systems serve a bloc of flats located in northern Italy and are assessed over a typical weather year, covering both the heating and cooling seasons. The air handling unit (AHU) coupled with the GSHP exhibits excellent characteristics in terms of temperature control, and has high performance parameters (EER and COP), which make conduction costs about 30% lower than those estimated for the traditional plant.

The Role of Viscosity in TATB Hot Spot Ignition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fried, L E; Zepeda-Ruis, L; Howard, W M

2011-08-02

The role of dissipative effects, such as viscosity, in the ignition of high explosive pores is investigated using a coupled chemical, thermal, and hydrodynamic model. Chemical reactions are tracked with the Cheetah thermochemical code coupled to the ALE3D hydrodynamic code. We perform molecular dynamics simulations to determine the viscosity of liquid TATB. We also analyze shock wave experiments to obtain an estimate for the shock viscosity of TATB. Using the lower bound liquid-like viscosities, we find that the pore collapse is hydrodynamic in nature. Using the upper bound viscosity from shock wave experiments, we find that the pore collapse ismore » closest to the viscous limit.« less

Boson-mediated quantum spin simulators in transverse fields: X Y model and spin-boson entanglement

NASA Astrophysics Data System (ADS)

Wall, Michael L.; Safavi-Naini, Arghavan; Rey, Ana Maria

2017-01-01

The coupling of spins to long-wavelength bosonic modes is a prominent means to engineer long-range spin-spin interactions, and has been realized in a variety of platforms, such as atoms in optical cavities and trapped ions. To date, much of the experimental focus has been on the realization of long-range Ising models, but generalizations to other spin models are highly desirable. In this work, we explore a previously unappreciated connection between the realization of an X Y model by off-resonant driving of a single sideband of boson excitation (i.e., a single-beam Mølmer-Sørensen scheme) and a boson-mediated Ising simulator in the presence of a transverse field. In particular, we show that these two schemes have the same effective Hamiltonian in suitably defined rotating frames, and analyze the emergent effective X Y spin model through a truncated Magnus series and numerical simulations. In addition to X Y spin-spin interactions that can be nonperturbatively renormalized from the naive Ising spin-spin coupling constants, we find an effective transverse field that is dependent on the thermal energy of the bosons, as well as other spin-boson couplings that cause spin-boson entanglement not to vanish at any time. In the case of a boson-mediated Ising simulator with transverse field, we discuss the crossover from transverse field Ising-like to X Y -like spin behavior as a function of field strength.

Self-actuating heat switches for redundant refrigeration systems

NASA Technical Reports Server (NTRS)

Chan, Chung K. (Inventor)

1988-01-01

A dual refrigeration system for cooling a sink device is described, which automatically thermally couples the cold refrigerator to the sink device while thermally isolating the warm refrigerator from the sink device. The system includes two gas gap heat switches that each thermally couples one of the refrigerators to the sink device, and a pair of sorption pumps that are coupled through tubes to the heat switches. When the first refrigerator is operated and therefore cold, the first pump which is thermally coupled to it is also cooled and adsorbs gas to withdraw it from the second heat switch, to thereby thermally isolate the sink device from the warm second refrigerator. With the second refrigerator being warm, the second pump is also warm and desorbs gas, so the gas lies in the first switch, to close that switch and therefore thermally couple the cold first refrigerator to the sink device. Thus, the heat switches are automatically switched according to the temperature of the corresponding refrigerator.

21SSD: a public data base of simulated 21-cm signals from the epoch of reionization

NASA Astrophysics Data System (ADS)

Semelin, B.; Eames, E.; Bolgar, F.; Caillat, M.

2017-12-01

The 21-cm signal from the epoch of reionization (EoR) is expected to be detected in the next few years, either with existing instruments or by the upcoming SKA and HERA projects. In this context, there is a pressing need for publicly available high-quality templates covering a wide range of possible signals. These are needed both for end-to-end simulations of the up-coming instruments and to develop signal analysis methods. We present such a set of templates, publicly available, for download at 21ssd.obspm.fr. The data base contains 21-cm brightness temperature lightcones at high and low resolution, and several derived statistical quantities for 45 models spanning our choice of 3D parameter space. These data are the result of fully coupled radiative hydrodynamic high-resolution (10243) simulations performed with the LICORICE code. Both X-ray and Lyman line transfer are performed to account for heating and Wouthuysen-Field coupling fluctuations. We also present a first exploitation of the data using the power spectrum and the pixel distribution function (PDF) computed from lightcone data. We analyse how these two quantities behave when varying the model parameters while taking into account the thermal noise expected of a typical SKA survey. Finally, we show that the noiseless power spectrum and PDF have different - and somewhat complementary - abilities to distinguish between different models. This preliminary result will have to be expanded to the case including thermal noise. This type of results opens the door to formulating an optimal sampling of the parameter space, dependent on the chosen diagnostics.

Validation of nonlinear gyrokinetic simulations of L- and I-mode plasmas on Alcator C-Mod

DOE Office of Scientific and Technical Information (OSTI.GOV)

Creely, A. J.; Howard, N. T.; Rodriguez-Fernandez, P.

New validation of global, nonlinear, ion-scale gyrokinetic simulations (GYRO) is carried out for L- and I-mode plasmas on Alcator C-Mod, utilizing heat fluxes, profile stiffness, and temperature fluctuations. Previous work at C-Mod found that ITG/TEM-scale GYRO simulations can match both electron and ion heat fluxes within error bars in I-mode [White PoP 2015], suggesting that multi-scale (cross-scale coupling) effects [Howard PoP 2016] may be less important in I-mode than in L-mode. New results presented here, however, show that global, nonlinear, ion-scale GYRO simulations are able to match the experimental ion heat flux, but underpredict electron heat flux (at most radii),more » electron temperature fluctuations, and perturbative thermal diffusivity in both L- and I-mode. Linear addition of electron heat flux from electron scale runs does not resolve this discrepancy. These results indicate that single-scale simulations do not sufficiently describe the I-mode core transport, and that multi-scale (coupled electron- and ion-scale) transport models are needed. In conclusion a preliminary investigation with multi-scale TGLF, however, was unable to resolve the discrepancy between ion-scale GYRO and experimental electron heat fluxes and perturbative diffusivity, motivating further work with multi-scale GYRO simulations and a more comprehensive study with multi-scale TGLF.« less

Validation of nonlinear gyrokinetic simulations of L- and I-mode plasmas on Alcator C-Mod

DOE PAGES

Creely, A. J.; Howard, N. T.; Rodriguez-Fernandez, P.; ...

2017-03-02

New validation of global, nonlinear, ion-scale gyrokinetic simulations (GYRO) is carried out for L- and I-mode plasmas on Alcator C-Mod, utilizing heat fluxes, profile stiffness, and temperature fluctuations. Previous work at C-Mod found that ITG/TEM-scale GYRO simulations can match both electron and ion heat fluxes within error bars in I-mode [White PoP 2015], suggesting that multi-scale (cross-scale coupling) effects [Howard PoP 2016] may be less important in I-mode than in L-mode. New results presented here, however, show that global, nonlinear, ion-scale GYRO simulations are able to match the experimental ion heat flux, but underpredict electron heat flux (at most radii),more » electron temperature fluctuations, and perturbative thermal diffusivity in both L- and I-mode. Linear addition of electron heat flux from electron scale runs does not resolve this discrepancy. These results indicate that single-scale simulations do not sufficiently describe the I-mode core transport, and that multi-scale (coupled electron- and ion-scale) transport models are needed. In conclusion a preliminary investigation with multi-scale TGLF, however, was unable to resolve the discrepancy between ion-scale GYRO and experimental electron heat fluxes and perturbative diffusivity, motivating further work with multi-scale GYRO simulations and a more comprehensive study with multi-scale TGLF.« less

Effects of lithium insertion on thermal conductivity of silicon nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Wen; Institute of High Performance Computing, A*STAR, Singapore, Singapore 138632; Zhang, Gang, E-mail: zhangg@ihpc.a-star.edu.sg

2015-04-27

Recently, silicon nanowires (SiNWs) have been applied as high-performance Li battery anodes, since they can overcome the pulverization and mechanical fracture during lithiation. Although thermal stability is one of the most important parameters that determine safety of Li batteries, thermal conductivity of SiNWs with Li insertion remains unclear. In this letter, using molecular dynamics simulations, we study room temperature thermal conductivity of SiNWs with Li insertion. It is found that compared with the pristine SiNW, there is as much as 60% reduction in thermal conductivity with 10% concentration of inserted Li atoms, while under the same impurity concentration the reductionmore » in thermal conductivity of the mass-disordered SiNW is only 30%. With lattice dynamics calculations and normal mode decomposition, it is revealed that the phonon lifetimes in SiNWs decrease greatly due to strong scattering of phonons by vibrational modes of Li atoms, especially for those high frequency phonons. The observed strong phonon scattering phenomenon in Li-inserted SiNWs is similar to the phonon rattling effect. Our study serves as an exploration of thermal properties of SiNWs as Li battery anodes or weakly coupled with impurity atoms.« less

Effects of lithium insertion on thermal conductivity of silicon nanowires

NASA Astrophysics Data System (ADS)

Xu, Wen; Zhang, Gang; Li, Baowen

2015-04-01

Recently, silicon nanowires (SiNWs) have been applied as high-performance Li battery anodes, since they can overcome the pulverization and mechanical fracture during lithiation. Although thermal stability is one of the most important parameters that determine safety of Li batteries, thermal conductivity of SiNWs with Li insertion remains unclear. In this letter, using molecular dynamics simulations, we study room temperature thermal conductivity of SiNWs with Li insertion. It is found that compared with the pristine SiNW, there is as much as 60% reduction in thermal conductivity with 10% concentration of inserted Li atoms, while under the same impurity concentration the reduction in thermal conductivity of the mass-disordered SiNW is only 30%. With lattice dynamics calculations and normal mode decomposition, it is revealed that the phonon lifetimes in SiNWs decrease greatly due to strong scattering of phonons by vibrational modes of Li atoms, especially for those high frequency phonons. The observed strong phonon scattering phenomenon in Li-inserted SiNWs is similar to the phonon rattling effect. Our study serves as an exploration of thermal properties of SiNWs as Li battery anodes or weakly coupled with impurity atoms.

Coupled structural/thermal/electromagnetic analysis/tailoring of graded composite structures

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Huang, H.; Hartle, M.

1992-01-01

Accomplishments are described for the third years effort of a 5-year program to develop a methodology for coupled structural/thermal/electromagnetic analysis/tailoring of graded composite structures. These accomplishments include: (1) structural analysis capability specialized for graded composite structures including large deformation and deformation position eigenanalysis technologies; (2) a thermal analyzer specialized for graded composite structures; (3) absorption of electromagnetic waves by graded composite structures; and (4) coupled structural thermal/electromagnetic analysis of graded composite structures.

A Thermal and Electrical Analysis of Power Semiconductor Devices

NASA Technical Reports Server (NTRS)

Vafai, Kambiz

1997-01-01

The state-of-art power semiconductor devices require a thorough understanding of the thermal behavior for these devices. Traditional thermal analysis have (1) failed to account for the thermo-electrical interaction which is significant for power semiconductor devices operating at high temperature, and (2) failed to account for the thermal interactions among all the levels involved in, from the entire device to the gate micro-structure. Furthermore there is a lack of quantitative studies of the thermal breakdown phenomenon which is one of the major failure mechanisms for power electronics. This research work is directed towards addressing. Using a coupled thermal and electrical simulation, in which the drift-diffusion equations for the semiconductor and the energy equation for temperature are solved simultaneously, the thermo-electrical interactions at the micron scale of various junction structures are thoroughly investigated. The optimization of gate structure designs and doping designs is then addressed. An iterative numerical procedure which incorporates the thermal analysis at the device, chip and junction levels of the power device is proposed for the first time and utilized in a BJT power semiconductor device. In this procedure, interactions of different levels are fully considered. The thermal stability issue is studied both analytically and numerically in this research work in order to understand the mechanism for thermal breakdown.

Overheating risk assessment of naturally ventilated classroom under the influence of climate change in hot and humid region

NASA Astrophysics Data System (ADS)

Huang, Kuo-Tsang

2013-04-01

Natural ventilation (NV) is considered one of the passive building strategies used for reducing cooling energy demand. The utilization of nature wind for cooling down indoor thermal environment to reach thermal comfort requires knowledge of adequately positioning the building fenestrations, designing inlet-outlet related opening ratios, planning unobstructed cross ventilation paths, and, the most important, assessing the utilization feasibility base on local climatic variables. Furthermore, factors that influence the indoor thermal condition include building envelope heat gain, indoor air velocity, indoor heat gain (e.g. heat discharges from occupant's body, lighting fixture, electrical appliances), and outdoor climate. Among the above, the indoor thermal performance of NV building is significantly dependent to outdoor climate conditions. In hot and humid Taiwan, under college school classrooms are usually operated in natural ventilation mode and are more vulnerable to climate change in regard to maintain indoor thermal comfort. As climate changes in progress, NV classrooms would expect to encounter more events of overheating in the near future, which result in more severe heat stress, and would risk the utilization of natural ventilation. To evaluate the overheating risk under the influence of recent climate change, an actual top floor elementary school classroom with 30 students located at north Taiwan was modeled. Long-term local hourly meteorological data were gathered and further constructed into EnergyPlus Weather Files (EPWs) format for building thermal dynamic simulation to discuss the indoor thermal environmental variation during the period of 1998 to 2012 by retrospective simulation. As indoor thermal environment is an overall condition resulting from a series combination of various factors, sub-hourly building simulation tool, EnergyPlus, coupled with the above fifteen years' EPWs was adopted to predict hourly indoor parameters of mean radiant temperature, air velocity, dry-bulb temperature and relative humidity. These physical quantities are crucial for calculating the thermal indices such as Physiological Equivalent Temperature (PET), New Standard Effective Temperature (SET*), and operative temperature (OT), which were subsequently being used for assessing thermal discomfort. Occurrences and the severity of overheating were assessed by observing the number of hours that surmount the upper limit of the adaptive thermal model proposed by ASHRAE Standard 55 (American Society of Heating, Refrigerating and Air-conditioning Engineers Standard) base on ISO 7730 method to characterize long term indoor thermal discomfort. Preliminary result show that although the degree of increase in overheating risk of NV classrooms was mild, there is a trend revealing that both the occurrences and the severity of thermal discomfort were gradually rising. The study also proposed several building renovation strategies for adapting the climate change to alleviate overheating situation. Efficiencies of these recommended strategies were also analyzed by simulating with the hottest year in comparison with the coldest year.

Estimation of Thermoelectric Generator Performance by Finite Element Modeling

NASA Astrophysics Data System (ADS)

Ziolkowski, P.; Poinas, P.; Leszczynski, J.; Karpinski, G.; Müller, E.

2010-09-01

Prediction of thermoelectric performance parameters by numerical methods is an inherent part of thermoelectric generator (TEG) development and allows for time- and cost-saving assessment of material combinations and variations of crucial design parameters (e.g., shape, pellet length, and thermal coupling). Considering the complexity of a TEG system and its numerous affecting factors, the clarity and the flexibility of a mathematical treatment comes to the fore. Comfortable tools are provided by commercial finite element modeling (FEM) software offering powerful geometry interfaces, mesh generators, solvers, and postprocessing options. We describe the level of development and the simulation results of a three dimensional (3D) TEG FEM. Using ANSYS 11.0, we implemented and simulated a TEG module geometry under various conditions. Comparative analytical one dimensional (1D) results and a direct comparison with inhouse-developed TEG simulation software show the consistency of results. Several pellet aspect ratios and contact property configurations (thermal/electrical interface resistance) were evaluated for their impact on the TEG performance as well as parasitic effects such as convection, radiation, and conductive heat bypass. The scenarios considered revealed the highest efficiency decay for convectionally loaded setups (up to 4.8%pts), followed by the impacts of contact resistances (up to 4.8%pts), by radiation (up to 0.56%pts), and by thermal conduction of a solid filling material within the voids of the module construction (up to 0.14%pts).

Simulations of thermal Rayleigh-Marangoni convection in a three-layer liquid-metal-battery model

NASA Astrophysics Data System (ADS)

Köllner, Thomas; Boeck, Thomas; Schumacher, Jörg

2017-11-01

Operating a liquid-metal battery produces Ohmic losses in the electrolyte layer that separates both metal electrodes. As a consequence, temperature gradients establish which potentially cause thermal convection since density and interfacial tension depend on the local temperature. In our numerical investigations, we considered three plane, immiscible layers governed by the Navier-Stokes-Boussinesq equations held at a constant temperature of 500°C at the bottom and top. A homogeneous current is applied that leads to a preferential heating of the mid electrolyte layer. We chose a typical material combination of Li separated by LiCl-KCl (a molten salt) from Pb-Bi for which we analyzed the linear stability of pure thermal conduction and performed three-dimensional direct-numerical simulations by a pseudospectral method probing different: electrolyte layer heights, overall heights, and current densities. Four instability mechanisms are identified, which are partly coupled to each other: buoyant convection in the upper electrode, buoyant convection in the molten salt layer, and Marangoni convection at both interfaces between molten salt and electrode. The global turbulent heat transfer follows scaling predictions for internally heated buoyant convection. Financial support by the Deutsche Forschungsgemeinschaft under Grant No. KO 5515/1-1 is gratefully acknowledged.

Simulating the effect of climate change on stream temperature in the Trout Lake Watershed, Wisconsin

USGS Publications Warehouse

Selbig, William R.

2015-01-01

The potential for increases in stream temperature across many spatial and temporal scales as a result of climate change can pose a difficult challenge for environmental managers, especially when addressing thermal requirements for sensitive aquatic species. This study evaluates simulated changes to the thermal regime of three northern Wisconsin streams in response to a projected changing climate using a modeling framework and considers implications of thermal stresses to the fish community. The Stream Network Temperature Model (SNTEMP) was used in combination with a coupled groundwater and surface water flow model to assess forecasts in climate from six global circulation models and three emission scenarios. Model results suggest that annual average stream temperature will steadily increase approximately 1.1 to 3.2 °C (varying by stream) by the year 2100 with differences in magnitude between emission scenarios. Daily mean stream temperature during the months of July and August, a period when cold-water fish communities are most sensitive, showed excursions from optimal temperatures with increased frequency compared to current conditions. Projections of daily mean stream temperature, in some cases, were no longer in the range necessary to sustain a cold water fishery.

Thermal Drawdown-Induced Flow Channeling in Fractured Geothermal Reservoirs

DOE PAGES

Fu, Pengcheng; Hao, Yue; Walsh, Stuart D. C.; ...

2015-06-30

In this paper, we investigate the flow-channeling phenomenon caused by thermal drawdown in fractured geothermal reservoirs. A discrete fracture network-based, fully coupled thermal–hydrological–mechanical simulator is used to study the interactions between fluid flow, temperature change, and the associated rock deformation. The responses of a number of randomly generated 2D fracture networks that represent a variety of reservoir characteristics are simulated with various injection-production well distances. We find that flow channeling, namely flow concentration in cooled zones, is the inevitable fate of all the scenarios evaluated. We also identify a secondary geomechanical mechanism caused by the anisotropy in thermal stress thatmore » counteracts the primary mechanism of flow channeling. This new mechanism tends, to some extent, to result in a more diffuse flow distribution, although it is generally not strong enough to completely reverse flow channeling. We find that fracture intensity substantially affects the overall hydraulic impedance of the reservoir but increasing fracture intensity generally does not improve heat production performance. Finally, increasing the injection-production well separation appears to be an effective means to prolong the production life of a reservoir.« less

Novel thermal management system design methodology for power lithium-ion battery

NASA Astrophysics Data System (ADS)

Nieto, Nerea; Díaz, Luis; Gastelurrutia, Jon; Blanco, Francisco; Ramos, Juan Carlos; Rivas, Alejandro

2014-12-01

Battery packs conformed by large format lithium-ion cells are increasingly being adopted in hybrid and pure electric vehicles in order to use the energy more efficiently and for a better environmental performance. Safety and cycle life are two of the main concerns regarding this technology, which are closely related to the cell's operating behavior and temperature asymmetries in the system. Therefore, the temperature of the cells in battery packs needs to be controlled by thermal management systems (TMSs). In the present paper an improved design methodology for developing TMSs is proposed. This methodology involves the development of different mathematical models for heat generation, transmission, and dissipation and their coupling and integration in the battery pack product design methodology in order to improve the overall safety and performance. The methodology is validated by comparing simulation results with laboratory measurements on a single module of the battery pack designed at IK4-IKERLAN for a traction application. The maximum difference between model predictions and experimental temperature data is 2 °C. The models developed have shown potential for use in battery thermal management studies for EV/HEV applications since they allow for scalability with accuracy and reasonable simulation time.

A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels

NASA Astrophysics Data System (ADS)

Li, Hua; Wang, Xiaogui; Yan, Guoping; Lam, K. Y.; Cheng, Sixue; Zou, Tao; Zhuo, Renxi

2005-03-01

In this paper, a novel multiphysic mathematical model is developed for simulation of swelling equilibrium of ionized temperature sensitive hydrogels with the volume phase transition, and it is termed the multi-effect-coupling thermal-stimulus (MECtherm) model. This model consists of the steady-state Nernst-Planck equation, Poisson equation and swelling equilibrium governing equation based on the Flory's mean field theory, in which two types of polymer-solvent interaction parameters, as the functions of temperature and polymer-network volume fraction, are specified with or without consideration of the hydrogen bond interaction. In order to examine the MECtherm model consisting of nonlinear partial differential equations, a meshless Hermite-Cloud method is used for numerical solution of one-dimensional swelling equilibrium of thermal-stimulus responsive hydrogels immersed in a bathing solution. The computed results are in very good agreements with experimental data for the variation of volume swelling ratio with temperature. The influences of the salt concentration and initial fixed-charge density are discussed in detail on the variations of volume swelling ratio of hydrogels, mobile ion concentrations and electric potential of both interior hydrogels and exterior bathing solution.

Observation and numerical modeling of chromospheric evaporation during the impulsive phase of a solar flare

DOE Office of Scientific and Technical Information (OSTI.GOV)

Imada, Shinsuke, E-mail: shinimada@stelab.nagoya-u.ac.jp; Murakami, Izumi, E-mail: murakami.izumi@nifs.ac.jp; Department of Fusion Science, SOKENDAI

2015-10-15

We have studied the chromospheric evaporation flow during the impulsive phase of the flare by using the Hinode/EUV Imaging Spectrometer observation and 1D hydrodynamic numerical simulation coupled to the time-dependent ionization. The observation clearly shows that the strong redshift can be observed at the base of the flaring loop only during the impulsive phase. We performed two different numerical simulations to reproduce the strong downflows in FeXII and FeXV during the impulsive phase. By changing the thermal conduction coefficient, we carried out the numerical calculation of chromospheric evaporation in the thermal conduction dominant regime (conductivity coefficient κ{sub 0} = classical value) andmore » the enthalpy flux dominant regime (κ{sub 0} = 0.1 × classical value). The chromospheric evaporation calculation in the enthalpy flux dominant regime could reproduce the strong redshift at the base of the flare during the impulsive phase. This result might indicate that the thermal conduction can be strongly suppressed in some cases of flare. We also find that time-dependent ionization effect is important to reproduce the strong downflows in Fe XII and Fe XV.« less

Simulating the effect of climate change on stream temperature in the Trout Lake Watershed, Wisconsin.

PubMed

Selbig, William R

2015-07-15

The potential for increases in stream temperature across many spatial and temporal scales as a result of climate change can pose a difficult challenge for environmental managers, especially when addressing thermal requirements for sensitive aquatic species. This study evaluates simulated changes to the thermal regime of three northern Wisconsin streams in response to a projected changing climate using a modeling framework and considers implications of thermal stresses to the fish community. The Stream Network Temperature Model (SNTEMP) was used in combination with a coupled groundwater and surface water flow model to assess forecasts in climate from six global circulation models and three emission scenarios. Model results suggest that annual average stream temperature will steadily increase approximately 1.1 to 3.2°C (varying by stream) by the year 2100 with differences in magnitude between emission scenarios. Daily mean stream temperature during the months of July and August, a period when cold-water fish communities are most sensitive, showed excursions from optimal temperatures with increased frequency compared to current conditions. Projections of daily mean stream temperature, in some cases, were no longer in the range necessary to sustain a cold water fishery. Published by Elsevier B.V.

A Simulation Framework for Battery Cell Impact Safety Modeling Using LS-DYNA

DOE PAGES

Marcicki, James; Zhu, Min; Bartlett, Alexander; ...

2017-02-04

The development process of electrified vehicles can benefit significantly from computer-aided engineering tools that predict themultiphysics response of batteries during abusive events. A coupled structural, electrical, electrochemical, and thermal model framework has been developed within the commercially available LS-DYNA software. The finite element model leverages a three-dimensional mesh structure that fully resolves the unit cell components. The mechanical solver predicts the distributed stress and strain response with failure thresholds leading to the onset of an internal short circuit. In this implementation, an arbitrary compressive strain criterion is applied locally to each unit cell. A spatially distributed equivalent circuit model providesmore » an empirical representation of the electrochemical responsewith minimal computational complexity.The thermalmodel provides state information to index the electrical model parameters, while simultaneously accepting irreversible and reversible sources of heat generation. The spatially distributed models of the electrical and thermal dynamics allow for the localization of current density and corresponding temperature response. The ability to predict the distributed thermal response of the cell as its stored energy is completely discharged through the short circuit enables an engineering safety assessment. A parametric analysis of an exemplary model is used to demonstrate the simulation capabilities.« less

3D dust clouds (Yukawa Balls) in strongly coupled dusty plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Melzer, A.; Passvogel, M.; Miksch, T.

2010-06-16

Three-dimensional finite systems of charged dust particles confined to concentric spherical shells in a dusty plasma, so-called 'Yukawa balls', have been studied with respect to their static and dynamic properties. Here, we review the charging of particles in a dusty plasma discharge by computer simulations and the respective particle arrangements. The normal mode spectrum of Yukawa balls is measured from the 3D thermal Brownian motion of the dust particles around their equilibrium positions.

Comparison of updated Lagrangian FEM with arbitrary Lagrangian Eulerian method for 3D thermo-mechanical extrusion of a tube profile

NASA Astrophysics Data System (ADS)

Kronsteiner, J.; Horwatitsch, D.; Zeman, K.

2017-10-01

Thermo-mechanical numerical modelling and simulation of extrusion processes faces several serious challenges. Large plastic deformations in combination with a strong coupling of thermal with mechanical effects leads to a high numerical demand for the solution as well as for the handling of mesh distortions. The two numerical methods presented in this paper also reflect two different ways to deal with mesh distortions. Lagrangian Finite Element Methods (FEM) tackle distorted elements by building a new mesh (called re-meshing) whereas Arbitrary Lagrangian Eulerian (ALE) methods use an "advection" step to remap the solution from the distorted to the undistorted mesh. Another difference between conventional Lagrangian and ALE methods is the separate treatment of material and mesh in ALE, allowing the definition of individual velocity fields. In theory, an ALE formulation contains the Eulerian formulation as a subset to the Lagrangian description of the material. The investigations presented in this paper were dealing with the direct extrusion of a tube profile using EN-AW 6082 aluminum alloy and a comparison of experimental with Lagrangian and ALE results. The numerical simulations cover the billet upsetting and last until one third of the billet length is extruded. A good qualitative correlation of experimental and numerical results could be found, however, major differences between Lagrangian and ALE methods concerning thermo-mechanical coupling lead to deviations in the thermal results.

Three-dimensional Simulation and Prediction of Solenoid Valve Failure Mechanism Based on Finite Element Model

NASA Astrophysics Data System (ADS)

Li, Jianfeng; Xiao, Mingqing; Liang, Yajun; Tang, Xilang; Li, Chao

2018-01-01

The solenoid valve is a kind of basic automation component applied widely. It’s significant to analyze and predict its degradation failure mechanism to improve the reliability of solenoid valve and do research on prolonging life. In this paper, a three-dimensional finite element analysis model of solenoid valve is established based on ANSYS Workbench software. A sequential coupling method used to calculate temperature filed and mechanical stress field of solenoid valve is put forward. The simulation result shows the sequential coupling method can calculate and analyze temperature and stress distribution of solenoid valve accurately, which has been verified through the accelerated life test. Kalman filtering algorithm is introduced to the data processing, which can effectively reduce measuring deviation and restore more accurate data information. Based on different driving current, a kind of failure mechanism which can easily cause the degradation of coils is obtained and an optimization design scheme of electro-insulating rubbers is also proposed. The high temperature generated by driving current and the thermal stress resulting from thermal expansion can easily cause the degradation of coil wires, which will decline the electrical resistance of coils and result in the eventual failure of solenoid valve. The method of finite element analysis can be applied to fault diagnosis and prognostic of various solenoid valves and improve the reliability of solenoid valve’s health management.

Theoretical and experimental investigations on the cooling capacity distributions at the stages in the thermally-coupled two-stage Stirling-type pulse tube cryocooler without external precooling

NASA Astrophysics Data System (ADS)

Tan, Jun; Dang, Haizheng

2017-03-01

The two-stage Stirling-type pulse tube cryocooler (SPTC) has advantages in simultaneously providing the cooling powers at two different temperatures, and the capacity in distributing these cooling capacities between the stages is significant to its practical applications. In this paper, a theoretical model of the thermally-coupled two-stage SPTC without external precooling is established based on the electric circuit analogy with considering real gas effects, and the simulations of both the cooling performances and PV power distribution between stages are conducted. The results indicate that the PV power is inversely proportional to the acoustic impedance of each stage, and the cooling capacity distribution is determined by the cold finger cooling efficiency and the PV power into each stage together. The design methods of the cold fingers to achieve both the desired PV power and the cooling capacity distribution between the stages are summarized. The two-stage SPTC is developed and tested based on the above theoretical investigations, and the experimental results show that it can simultaneously achieve 0.69 W at 30 K and 3.1 W at 85 K with an electric input power of 330 W and a reject temperature of 300 K. The consistency between the simulated and the experimental results is observed and the theoretical investigations are experimentally verified.

Radiative transfer modeling through terrestrial atmosphere and ocean accounting for inelastic processes: Software package SCIATRAN

NASA Astrophysics Data System (ADS)

Rozanov, V. V.; Dinter, T.; Rozanov, A. V.; Wolanin, A.; Bracher, A.; Burrows, J. P.

2017-06-01

SCIATRAN is a comprehensive software package which is designed to model radiative transfer processes in the terrestrial atmosphere and ocean in the spectral range from the ultraviolet to the thermal infrared (0.18-40 μm). It accounts for multiple scattering processes, polarization, thermal emission and ocean-atmosphere coupling. The main goal of this paper is to present a recently developed version of SCIATRAN which takes into account accurately inelastic radiative processes in both the atmosphere and the ocean. In the scalar version of the coupled ocean-atmosphere radiative transfer solver presented by Rozanov et al. [61] we have implemented the simulation of the rotational Raman scattering, vibrational Raman scattering, chlorophyll and colored dissolved organic matter fluorescence. In this paper we discuss and explain the numerical methods used in SCIATRAN to solve the scalar radiative transfer equation including trans-spectral processes, and demonstrate how some selected radiative transfer problems are solved using the SCIATRAN package. In addition we present selected comparisons of SCIATRAN simulations with those published benchmark results, independent radiative transfer models, and various measurements from satellite, ground-based, and ship-borne instruments. The extended SCIATRAN software package along with a detailed User's Guide is made available for scientists and students, who are undertaking their own research typically at universities, via the web page of the Institute of Environmental Physics (IUP), University of Bremen: http://www.iup.physik.uni-bremen.de.

Automotive Underhood Thermal Management Analysis Using 3-D Coupled Thermal-Hydrodynamic Computer Models: Thermal Radiation Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pannala, S; D'Azevedo, E; Zacharia, T

The goal of the radiation modeling effort was to develop and implement a radiation algorithm that is fast and accurate for the underhood environment. As part of this CRADA, a net-radiation model was chosen to simulate radiative heat transfer in an underhood of a car. The assumptions (diffuse-gray and uniform radiative properties in each element) reduce the problem tremendously and all the view factors for radiation thermal calculations can be calculated once and for all at the beginning of the simulation. The cost for online integration of heat exchanges due to radiation is found to be less than 15% ofmore » the baseline CHAD code and thus very manageable. The off-line view factor calculation is constructed to be very modular and has been completely integrated to read CHAD grid files and the output from this code can be read into the latest version of CHAD. Further integration has to be performed to accomplish the same with STAR-CD. The main outcome of this effort is to obtain a highly scalable and portable simulation capability to model view factors for underhood environment (for e.g. a view factor calculation which took 14 hours on a single processor only took 14 minutes on 64 processors). The code has also been validated using a simple test case where analytical solutions are available. This simulation capability gives underhood designers in the automotive companies the ability to account for thermal radiation - which usually is critical in the underhood environment and also turns out to be one of the most computationally expensive components of underhood simulations. This report starts off with the original work plan as elucidated in the proposal in section B. This is followed by Technical work plan to accomplish the goals of the project in section C. In section D, background to the current work is provided with references to the previous efforts this project leverages on. The results are discussed in section 1E. This report ends with conclusions and future scope of work in section F.« less

Diffraction phase microscopy imaging and multi-physics modeling of the nanoscale thermal expansion of a suspended resistor.

PubMed

Wang, Xiaozhen; Lu, Tianjian; Yu, Xin; Jin, Jian-Ming; Goddard, Lynford L

2017-07-04

We studied the nanoscale thermal expansion of a suspended resistor both theoretically and experimentally and obtained consistent results. In the theoretical analysis, we used a three-dimensional coupled electrical-thermal-mechanical simulation and obtained the temperature and displacement field of the suspended resistor under a direct current (DC) input voltage. In the experiment, we recorded a sequence of images of the axial thermal expansion of the central bridge region of the suspended resistor at a rate of 1.8 frames/s by using epi-illumination diffraction phase microscopy (epi-DPM). This method accurately measured nanometer level relative height changes of the resistor in a temporally and spatially resolved manner. Upon application of a 2 V step in voltage, the resistor exhibited a steady-state increase in resistance of 1.14 Ω and in relative height of 3.5 nm, which agreed reasonably well with the predicted values of 1.08 Ω and 4.4 nm, respectively.

GRAIN-SCALE FAILURE IN THERMAL SPALLATION DRILLING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walsh, S C; Lomov, I; Roberts, J J

2012-01-19

Geothermal power promises clean, renewable, reliable and potentially widely-available energy, but is limited by high initial capital costs. New drilling technologies are required to make geothermal power financially competitive with other energy sources. One potential solution is offered by Thermal Spallation Drilling (TSD) - a novel drilling technique in which small particles (spalls) are released from the rock surface by rapid heating. While TSD has the potential to improve drilling rates of brittle granitic rocks, the coupled thermomechanical processes involved in TSD are poorly described, making system control and optimization difficult for this drilling technology. In this paper, we discussmore » results from a new modeling effort investigating thermal spallation drilling. In particular, we describe an explicit model that simulates the grain-scale mechanics of thermal spallation and use this model to examine existing theories concerning spalling mechanisms. We will report how borehole conditions influence spall production, and discuss implications for macro-scale models of drilling systems.« less

Simplified human thermoregulatory model for designing wearable thermoelectric devices

NASA Astrophysics Data System (ADS)

Wijethunge, Dimuthu; Kim, Donggyu; Kim, Woochul

2018-02-01

Research on wearable and implantable devices have become popular with the strong need in market. A precise understanding of the thermal properties of human skin, which are not constant values but vary depending on ambient condition, is required for the development of such devices. In this paper, we present simplified human thermoregulatory model for accurately estimating the thermal properties of the skin without applying rigorous calculations. The proposed model considers a variable blood flow rate through the skin, evaporation functions, and a variable convection heat transfer from the skin surface. In addition, wearable thermoelectric generation (TEG) and refrigeration devices were simulated. We found that deviations of 10-60% can be resulted in estimating TEG performance without considering human thermoregulatory model owing to the fact that thermal resistance of human skin is adapted to ambient condition. Simplicity of the modeling procedure presented in this work could be beneficial for optimizing and predicting the performance of any applications that are directly coupled with skin thermal properties.

Microscale Modeling of Porous Thermal Protection System Materials

NASA Astrophysics Data System (ADS)

Stern, Eric C.

Ablative thermal protection system (TPS) materials play a vital role in the design of entry vehicles. Most simulation tools for ablative TPS in use today take a macroscopic approach to modeling, which involves heavy empiricism. Recent work has suggested improving the fidelity of the simulations by taking a multi-scale approach to the physics of ablation. In this work, a new approach for modeling ablative TPS at the microscale is proposed, and its feasibility and utility is assessed. This approach uses the Direct Simulation Monte Carlo (DSMC) method to simulate the gas flow through the microstructure, as well as the gas-surface interaction. Application of the DSMC method to this problem allows the gas phase dynamics---which are often rarefied---to be modeled to a high degree of fidelity. Furthermore this method allows for sophisticated gas-surface interaction models to be implemented. In order to test this approach for realistic materials, a method for generating artificial microstructures which emulate those found in spacecraft TPS is developed. Additionally, a novel approach for allowing the surface to move under the influence of chemical reactions at the surface is developed. This approach is shown to be efficient and robust for performing coupled simulation of the oxidation of carbon fibers. The microscale modeling approach is first applied to simulating the steady flow of gas through the porous medium. Predictions of Darcy permeability for an idealized microstructure agree with empirical correlations from the literature, as well as with predictions from computational fluid dynamics (CFD) when the continuum assumption is valid. Expected departures are observed for conditions at which the continuum assumption no longer holds. Comparisons of simulations using a fabricated microstructure to experimental data for a real spacecraft TPS material show good agreement when similar microstructural parameters are used to build the geometry. The approach is then applied to investigating the ablation of porous materials through oxidation. A simple gas surface interaction model is described, and an approach for coupling the surface reconstruction algorithm to the DSMC method is outlined. Simulations of single carbon fibers at representative conditions suggest this approach to be feasible for simulating the ablation of porous TPS materials at scale. Additionally, the effect of various simulation parameters on in-depth morphology is investigated for random fibrous microstructures.

Variable-viscosity thermal hemodynamic slip flow conveying nanoparticles through a permeable-walled composite stenosed artery

NASA Astrophysics Data System (ADS)

Akbar, Noreen Sher; Tripathi, Dharmendra; Bég, O. Anwar

2017-07-01

This paper presents a mathematical model for simulating viscous, incompressible, steady-state blood flow containing copper nanoparticles and coupled heat transfer through a composite stenosed artery with permeable walls. Wall slip hydrodynamic and also thermal buoyancy effects are included. The artery is simulated as an isotropic elastic tube, following Joshi et al. (2009), and a variable viscosity formulation is employed for the flowing blood. The equations governing the transport phenomena are non-dimensionalized and the resulting boundary value problem is solved analytically in the steady state subject to physically appropriate boundary conditions. Numerical computations are conducted to quantify the effects of relevant hemodynamic, thermophysical and nanoscale parameters emerging in the model on velocity and temperature profiles, wall shear stress, impedance resistance and also streamline distributions. The model may be applicable to drug fate transport modeling with nanoparticle agents and also to the optimized design of nanoscale medical devices for diagnosing stenotic diseases in circulatory systems.

The determination of equivalent bearing loading for the BSMT that simulate SSME high pressure oxidizer turbopump conditions using the SHABERTH/SINDA computer programs

NASA Technical Reports Server (NTRS)

Mcdonald, Gary H.

1987-01-01

The MSFC bearing seal material tester (BSMT) can be used to evaluate the SSME high pressure oxygen turbopump (HPOTP) bearing performance. The four HPOTP bearings have both an imposed radial and axial load. These radial and axial loads are caused by the HPOTP's shaft, main impeller, preburner impeller, turbine and by the LOX coolant flow through the bearings, respectively. These loads coupled with bearing geometry and operating speed can define bearing contact angle, contact Hertz stress, and heat generation rates. The BSMT has the capability of operating at HPOTP shaft speeds, provide proper coolant flowrates but can only apply an axial load. Due to the inability to operate the bearings in the BSMT with an applied radial load, it is important to develop an equivalency between the applied axial loads and the actual HPOTP loadings. A shaft-bearing-thermal computer code (SHABERTH/SINDA) is used to simulate the BSMT bearing-shaft geometry and thermal-fluid operating conditions.

Numerical simulation of vortex pyrolysis reactors for condensable tar production from biomass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, R.S.; Bellan, J.

1998-08-01

A numerical study is performed in order to evaluate the performance and optimal operating conditions of vortex pyrolysis reactors used for condensable tar production from biomass. A detailed mathematical model of porous biomass particle pyrolysis is coupled with a compressible Reynolds stress transport model for the turbulent reactor swirling flow. An initial evaluation of particle dimensionality effects is made through comparisons of single- (1D) and multi-dimensional particle simulations and reveals that the 1D particle model results in conservative estimates for total pyrolysis conversion times and tar collection. The observed deviations are due predominantly to geometry effects while directional effects frommore » thermal conductivity and permeability variations are relatively small. Rapid ablative particle heating rates are attributed to a mechanical fragmentation of the biomass particles that is modeled using a critical porosity for matrix breakup. Optimal thermal conditions for tar production are observed for 900 K. Effects of biomass identity, particle size distribution, and reactor geometry and scale are discussed.« less

Re-interpretation of the ERMINE-V experiment validation of fission product integral cross section in the fast energy range

NASA Astrophysics Data System (ADS)

Ros, Paul; Leconte, Pierre; Blaise, Patrick; Naymeh, Laurent

2017-09-01

The current knowledge of nuclear data in the fast neutron energy range is not as good as in the thermal range, resulting in larger propagated uncertainties in integral quantities such as critical masses or reactivity effects. This situation makes it difficult to get the full benefit from recent advances in modeling and simulation. Zero power facilities such as the French ZPR MINERVE have already demonstrated that they can contribute to significantly reduce those uncertainties thanks to dedicated experiments. Historically, MINERVE has been mainly dedicated to thermal spectrum studies. However, experiments involving fast-thermal coupled cores were also performed in MINERVE as part of the ERMINE program, in order to improve nuclear data in fast spectra for the two French SFRs: PHENIX and SUPERPHENIX. Some of those experiments have been recently revisited. In particular, a full characterization of ZONA-1 and ZONA-3, two different cores loaded in the ERMINE V campaign, has been done, with much attention paid to possible sources of errors. It includes detailed geometric descriptions, energy profiles of the direct and adjoint fluxes and spectral indices obtained thanks to Monte Carlo calculations and compared to a reference fast core configuration. Sample oscillation experiments of separated fission products such as 103Rh or 99Tc, which were part of the ERMINE V program, have been simulated using recently-developed options in the TRIPOLI-4 code and compared to the experimental values. The present paper describes the corresponding results. The findings motivate in-depth studies for designing optimized coupled-core conditions in ZEPHYR, a new ZPR which will replace MINERVE and will provide integral data to meet the needs of Gen-III and Gen-IV reactors.

DynMo: Dynamic Simulation Model for Space Reactor Power Systems

NASA Astrophysics Data System (ADS)

El-Genk, Mohamed; Tournier, Jean-Michel

2005-02-01

A Dynamic simulation Model (DynMo) for space reactor power systems is developed using the SIMULINK® platform. DynMo is modular and could be applied to power systems with different types of reactors, energy conversion, and heat pipe radiators. This paper presents a general description of DynMo-TE for a space power system powered by a Sectored Compact Reactor (SCoRe) and that employs off-the-shelf SiGe thermoelectric converters. SCoRe is liquid metal cooled and designed for avoidance of a single point failure. The reactor core is divided into six equal sectors that are neutronically, but not thermal-hydraulically, coupled. To avoid a single point failure in the power system, each reactor sector has its own primary and secondary loops, and each loop is equipped with an electromagnetic (EM) pump. A Power Conversion assembly (PCA) and a Thermoelectric Conversion Assembly (TCA) of the primary and secondary EM pumps thermally couple each pair of a primary and a secondary loop. The secondary loop transports the heat rejected by the PCA and the pumps TCA to a rubidium heat pipes radiator panel. The primary loops transport the thermal power from the reactor sector to the PCAs for supplying a total of 145-152 kWe to the load at 441-452 VDC, depending on the selections of the primary and secondary liquid metal coolants. The primary and secondary coolant combinations investigated are lithium (Li)/Li, Li/sodium (Na), Na-Na, Li/NaK-78 and Na/NaK-78, for which the reactor exit temperature is kept below 1250 K. The results of a startup transient of the system from an initial temperature of 500 K are compared and discussed.

Study on cold head structure of a 300 Hz thermoacoustically driven pulse tube cryocooler

NASA Astrophysics Data System (ADS)

Yu, G. Y.; Wang, X. T.; Dai, W.; Luo, E. C.

2012-04-01

High reliability, compact size and potentially high thermal efficiency make the high frequency thermoacoustically-driven pulse tube cryocooler quite promising for space use. With continuous efforts, the lowest temperature and the thermal efficiency of the coupled system have been greatly improved. So far, a cold head temperature below 60 K has been achieved on such kind of cryocooler with the operation frequency of around 300 Hz. To further improve the thermal efficiency and expedite its practical application, this work focuses on studying the influence of cold head structure on the system performance. Substantial numerical simulations were firstly carried out, which revealed that the cold head structure would greatly influence the cooling power and the thermal efficiency. To validate the predictions, a lot of experiments have been done. The experiments and calculations are in reasonable agreement. With 500 W heating power input into the engine, a no-load temperature of 63 K and a cooling power of 1.16 W at 80 K have been obtained with parallel-plate cold head, indicating encouraging improvement of the thermal efficiency.

Error and uncertainty in Raman thermal conductivity measurements

DOE PAGES

Thomas Edwin Beechem; Yates, Luke; Graham, Samuel

2015-04-22

We investigated error and uncertainty in Raman thermal conductivity measurements via finite element based numerical simulation of two geometries often employed -- Joule-heating of a wire and laser-heating of a suspended wafer. Using this methodology, the accuracy and precision of the Raman-derived thermal conductivity are shown to depend on (1) assumptions within the analytical model used in the deduction of thermal conductivity, (2) uncertainty in the quantification of heat flux and temperature, and (3) the evolution of thermomechanical stress during testing. Apart from the influence of stress, errors of 5% coupled with uncertainties of ±15% are achievable for most materialsmore » under conditions typical of Raman thermometry experiments. Error can increase to >20%, however, for materials having highly temperature dependent thermal conductivities or, in some materials, when thermomechanical stress develops concurrent with the heating. A dimensionless parameter -- termed the Raman stress factor -- is derived to identify when stress effects will induce large levels of error. Together, the results compare the utility of Raman based conductivity measurements relative to more established techniques while at the same time identifying situations where its use is most efficacious.« less

A novel modeling and simulation technique of photo--thermal interactions between lasers and living biological tissues undergoing multiple changes in phase.

PubMed

Dua, Rajan; Chakraborty, Suman

2005-06-01

Knowledge of heat transfer in biological bodies has many therapeutic applications involving either raising or lowering of temperature, and often requires precise monitoring of the spatial distribution of thermal histories that are produced during a treatment protocol. Extremes of temperature into the freezing and burning ranges are useful in surgical procedures for selective killing and/or removal of target tissues. For example, the primary objective of hyperthermia is to raise the temperature of the diseased tissue to a therapeutic value, typically 41- 44 degrees C, and then thermally destroy it. The present paper therefore aims to develop a mathematical model for effective simulation of photo--thermal interactions between laser rays and biological tissues. In particular, damage of biological tissues when subjected to single point laser diathermy is numerically investigated using a unique enthalpy-based approach for modeling multiple phase change, (namely, melting of fat and vaporization of water content of the tissues) and the associated release/absorption of latent heat in conjunction with unsteady state heat conduction mechanisms. The governing equations of bio-heat transfer coupled with initial and boundary conditions are solved using a finite volume approach in conjunction with line by a line tri-diagonal matrix algorithm (TDMA) solver. Temperature responses of tissues subject to laser heating are quantitatively investigated in detail using the present model, and the resultant solutions are expected to be immensely useful in a variety of Bio-thermal practices in medicine and surgery.