A theoretical and computational study of lithium-ion battery thermal management for electric vehicles using heat pipes

NASA Astrophysics Data System (ADS)

Greco, Angelo; Cao, Dongpu; Jiang, Xi; Yang, Hong

2014-07-01

A simplified one-dimensional transient computational model of a prismatic lithium-ion battery cell is developed using thermal circuit approach in conjunction with the thermal model of the heat pipe. The proposed model is compared to an analytical solution based on variable separation as well as three-dimensional (3D) computational fluid dynamics (CFD) simulations. The three approaches, i.e. the 1D computational model, analytical solution, and 3D CFD simulations, yielded nearly identical results for the thermal behaviours. Therefore the 1D model is considered to be sufficient to predict the temperature distribution of lithium-ion battery thermal management using heat pipes. Moreover, a maximum temperature of 27.6 °C was predicted for the design of the heat pipe setup in a distributed configuration, while a maximum temperature of 51.5 °C was predicted when forced convection was applied to the same configuration. The higher surface contact of the heat pipes allows a better cooling management compared to forced convection cooling. Accordingly, heat pipes can be used to achieve effective thermal management of a battery pack with confined surface areas.

Could the heat sink effect of blood flow inside large vessels protect the vessel wall from thermal damage during RF-assisted surgical resection?

PubMed

González-Suárez, Ana; Trujillo, Macarena; Burdío, Fernando; Andaluz, Anna; Berjano, Enrique

2014-08-01

To assess by means of computer simulations whether the heat sink effect inside a large vessel (portal vein) could protect the vessel wall from thermal damage close to an internally cooled electrode during radiofrequency (RF)-assisted resection. First,in vivo experiments were conducted to validate the computational model by comparing the experimental and computational thermal lesion shapes created around the vessels. Computer simulations were then carried out to study the effect of different factors such as device-tissue contact, vessel position, and vessel-device distance on temperature distributions and thermal lesion shapes near a large vessel, specifically the portal vein. The geometries of thermal lesions around the vessels in the in vivo experiments were in agreement with the computer results. The thermal lesion shape created around the portal vein was significantly modified by the heat sink effect in all the cases considered. Thermal damage to the portal vein wall was inversely related to the vessel-device distance. It was also more pronounced when the device-tissue contact surface was reduced or when the vessel was parallel to the device or perpendicular to its distal end (blade zone), the vessel wall being damaged at distances less than 4.25 mm. The computational findings suggest that the heat sink effect could protect the portal vein wall for distances equal to or greater than 5 mm, regardless of its position and distance with respect to the RF-based device.

Entropy generation method to quantify thermal comfort.

PubMed

Boregowda, S C; Tiwari, S N; Chaturvedi, S K

2001-12-01

The present paper presents a thermodynamic approach to assess the quality of human-thermal environment interaction and quantify thermal comfort. The approach involves development of entropy generation term by applying second law of thermodynamics to the combined human-environment system. The entropy generation term combines both human thermal physiological responses and thermal environmental variables to provide an objective measure of thermal comfort. The original concepts and definitions form the basis for establishing the mathematical relationship between thermal comfort and entropy generation term. As a result of logic and deterministic approach, an Objective Thermal Comfort Index (OTCI) is defined and established as a function of entropy generation. In order to verify the entropy-based thermal comfort model, human thermal physiological responses due to changes in ambient conditions are simulated using a well established and validated human thermal model developed at the Institute of Environmental Research of Kansas State University (KSU). The finite element based KSU human thermal computer model is being utilized as a "Computational Environmental Chamber" to conduct series of simulations to examine the human thermal responses to different environmental conditions. The output from the simulation, which include human thermal responses and input data consisting of environmental conditions are fed into the thermal comfort model. Continuous monitoring of thermal comfort in comfortable and extreme environmental conditions is demonstrated. The Objective Thermal Comfort values obtained from the entropy-based model are validated against regression based Predicted Mean Vote (PMV) values. Using the corresponding air temperatures and vapor pressures that were used in the computer simulation in the regression equation generates the PMV values. The preliminary results indicate that the OTCI and PMV values correlate well under ideal conditions. However, an experimental study is needed in the future to fully establish the validity of the OTCI formula and the model. One of the practical applications of this index is that could it be integrated in thermal control systems to develop human-centered environmental control systems for potential use in aircraft, mass transit vehicles, intelligent building systems, and space vehicles.

Entropy generation method to quantify thermal comfort

NASA Technical Reports Server (NTRS)

Boregowda, S. C.; Tiwari, S. N.; Chaturvedi, S. K.

2001-01-01

The present paper presents a thermodynamic approach to assess the quality of human-thermal environment interaction and quantify thermal comfort. The approach involves development of entropy generation term by applying second law of thermodynamics to the combined human-environment system. The entropy generation term combines both human thermal physiological responses and thermal environmental variables to provide an objective measure of thermal comfort. The original concepts and definitions form the basis for establishing the mathematical relationship between thermal comfort and entropy generation term. As a result of logic and deterministic approach, an Objective Thermal Comfort Index (OTCI) is defined and established as a function of entropy generation. In order to verify the entropy-based thermal comfort model, human thermal physiological responses due to changes in ambient conditions are simulated using a well established and validated human thermal model developed at the Institute of Environmental Research of Kansas State University (KSU). The finite element based KSU human thermal computer model is being utilized as a "Computational Environmental Chamber" to conduct series of simulations to examine the human thermal responses to different environmental conditions. The output from the simulation, which include human thermal responses and input data consisting of environmental conditions are fed into the thermal comfort model. Continuous monitoring of thermal comfort in comfortable and extreme environmental conditions is demonstrated. The Objective Thermal Comfort values obtained from the entropy-based model are validated against regression based Predicted Mean Vote (PMV) values. Using the corresponding air temperatures and vapor pressures that were used in the computer simulation in the regression equation generates the PMV values. The preliminary results indicate that the OTCI and PMV values correlate well under ideal conditions. However, an experimental study is needed in the future to fully establish the validity of the OTCI formula and the model. One of the practical applications of this index is that could it be integrated in thermal control systems to develop human-centered environmental control systems for potential use in aircraft, mass transit vehicles, intelligent building systems, and space vehicles.

Computational design and experimental validation of new thermal barrier systems

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

Guo, Shengmin

2015-03-31

The focus of this project is on the development of a reliable and efficient ab initio based computational high temperature material design method which can be used to assist the Thermal Barrier Coating (TBC) bond-coat and top-coat design. Experimental evaluations on the new TBCs are conducted to confirm the new TBCs’ properties. Southern University is the subcontractor on this project with a focus on the computational simulation method development. We have performed ab initio density functional theory (DFT) method and molecular dynamics simulation on screening the top coats and bond coats for gas turbine thermal barrier coating design and validationmore » applications. For experimental validations, our focus is on the hot corrosion performance of different TBC systems. For example, for one of the top coatings studied, we examined the thermal stability of TaZr 2.75O 8 and confirmed it’s hot corrosion performance.« less

Optimization analysis of thermal management system for electric vehicle battery pack

NASA Astrophysics Data System (ADS)

Gong, Huiqi; Zheng, Minxin; Jin, Peng; Feng, Dong

2018-04-01

Electric vehicle battery pack can increase the temperature to affect the power battery system cycle life, charge-ability, power, energy, security and reliability. The Computational Fluid Dynamics simulation and experiment of the charging and discharging process of the battery pack were carried out for the thermal management system of the battery pack under the continuous charging of the battery. The simulation result and the experimental data were used to verify the rationality of the Computational Fluid Dynamics calculation model. In view of the large temperature difference of the battery module in high temperature environment, three optimization methods of the existing thermal management system of the battery pack were put forward: adjusting the installation position of the fan, optimizing the arrangement of the battery pack and reducing the fan opening temperature threshold. The feasibility of the optimization method is proved by simulation and experiment of the thermal management system of the optimized battery pack.

Optimal simulations of ultrasonic fields produced by large thermal therapy arrays using the angular spectrum approach

PubMed Central

Zeng, Xiaozheng; McGough, Robert J.

2009-01-01

The angular spectrum approach is evaluated for the simulation of focused ultrasound fields produced by large thermal therapy arrays. For an input pressure or normal particle velocity distribution in a plane, the angular spectrum approach rapidly computes the output pressure field in a three dimensional volume. To determine the optimal combination of simulation parameters for angular spectrum calculations, the effect of the size, location, and the numerical accuracy of the input plane on the computed output pressure is evaluated. Simulation results demonstrate that angular spectrum calculations performed with an input pressure plane are more accurate than calculations with an input velocity plane. Results also indicate that when the input pressure plane is slightly larger than the array aperture and is located approximately one wavelength from the array, angular spectrum simulations have very small numerical errors for two dimensional planar arrays. Furthermore, the root mean squared error from angular spectrum simulations asymptotically approaches a nonzero lower limit as the error in the input plane decreases. Overall, the angular spectrum approach is an accurate and robust method for thermal therapy simulations of large ultrasound phased arrays when the input pressure plane is computed with the fast nearfield method and an optimal combination of input parameters. PMID:19425640

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

On the precision of aero-thermal simulations for TMT

NASA Astrophysics Data System (ADS)

Vogiatzis, Konstantinos; Thompson, Hugh

2016-08-01

Environmental effects on the Image Quality (IQ) of the Thirty Meter Telescope (TMT) are estimated by aero-thermal numerical simulations. These simulations utilize Computational Fluid Dynamics (CFD) to estimate, among others, thermal (dome and mirror) seeing as well as wind jitter and blur. As the design matures, guidance obtained from these numerical experiments can influence significant cost-performance trade-offs and even component survivability. The stochastic nature of environmental conditions results in the generation of a large computational solution matrix in order to statistically predict Observatory Performance. Moreover, the relative contribution of selected key subcomponents to IQ increases the parameter space and thus computational cost, while dictating a reduced prediction error bar. The current study presents the strategy followed to minimize prediction time and computational resources, the subsequent physical and numerical limitations and finally the approach to mitigate the issues experienced. In particular, the paper describes a mesh-independence study, the effect of interpolation of CFD results on the TMT IQ metric, and an analysis of the sensitivity of IQ to certain important heat sources and geometric features.

G189A analytical simulation of the RITE Integrated Waste Management-Water System

NASA Technical Reports Server (NTRS)

Coggi, J. V.; Clonts, S. E.

1974-01-01

This paper discusses the computer simulation of the Integrated Waste Management-Water System Using Radioisotopes for Thermal Energy (RITE) and applications of the simulation. Variations in the system temperature and flows due to particular operating conditions and variations in equipment heating loads imposed on the system were investigated with the computer program. The results were assessed from the standpoint of the computed dynamic characteristics of the system and the potential applications of the simulation to system development and vehicle integration.

Multiscale Computer Simulation of Failure in Aerogels

NASA Technical Reports Server (NTRS)

Good, Brian S.

2008-01-01

Aerogels have been of interest to the aerospace community primarily for their thermal properties, notably their low thermal conductivities. While such gels are typically fragile, recent advances in the application of conformal polymer layers to these gels has made them potentially useful as lightweight structural materials as well. We have previously performed computer simulations of aerogel thermal conductivity and tensile and compressive failure, with results that are in qualitative, and sometimes quantitative, agreement with experiment. However, recent experiments in our laboratory suggest that gels having similar densities may exhibit substantially different properties. In this work, we extend our original diffusion limited cluster aggregation (DLCA) model for gel structure to incorporate additional variation in DLCA simulation parameters, with the aim of producing DLCA clusters of similar densities that nevertheless have different fractal dimension and secondary particle coordination. We perform particle statics simulations of gel strain on these clusters, and consider the effects of differing DLCA simulation conditions, and the resultant differences in fractal dimension and coordination, on gel strain properties.

Extravehicular mobility unit thermal simulator

NASA Technical Reports Server (NTRS)

Hixon, C. W.; Phillips, M. A.

1973-01-01

The analytical methods, thermal model, and user's instructions for the SIM bay extravehicular mobility unit (EMU) routine are presented. This digital computer program was developed for detailed thermal performance predictions of the crewman performing a command module extravehicular activity during transearth coast. It accounts for conductive, convective, and radiative heat transfer as well as fluid flow and associated flow control components. The program is a derivative of the Apollo lunar surface EMU digital simulator. It has the operational flexibility to accept card or magnetic tape for both the input data and program logic. Output can be tabular and/or plotted and the mission simulation can be stopped and restarted at the discretion of the user. The program was developed for the NASA-JSC Univac 1108 computer system and several of the capabilities represent utilization of unique features of that system. Analytical methods used in the computer routine are based on finite difference approximations to differential heat and mass balance equations which account for temperature or time dependent thermo-physical properties.

Large blast and thermal simulator advanced concept driver design by computational fluid dynamics. Final report, 1987-1989

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

Opalka, K.O.

1989-08-01

The construction of a large test facility has been proposed for simulating the blast and thermal environment resulting from nuclear explosions. This facility would be used to test the survivability and vulnerability of military equipment such as trucks, tanks, and helicopters in a simulated thermal and blast environment, and to perform research into nuclear blast phenomenology. The proposed advanced design concepts, heating of driver gas and fast-acting throat valves for wave shaping, are described and the results of CFD studies to advance these new technical concepts fro simulating decaying blast waves are reported.

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

Multidimensional computer simulation of Stirling cycle engines

NASA Technical Reports Server (NTRS)

Hall, C. A.; Porsching, T. A.; Medley, J.; Tew, R. C.

1990-01-01

The computer code ALGAE (algorithms for the gas equations) treats incompressible, thermally expandable, or locally compressible flows in complicated two-dimensional flow regions. The solution method, finite differencing schemes, and basic modeling of the field equations in ALGAE are applicable to engineering design settings of the type found in Stirling cycle engines. The use of ALGAE to model multiple components of the space power research engine (SPRE) is reported. Videotape computer simulations of the transient behavior of the working gas (helium) in the heater-regenerator-cooler complex of the SPRE demonstrate the usefulness of such a program in providing information on thermal and hydraulic phenomena in multiple component sections of the SPRE.

A model for including thermal conduction in molecular dynamics simulations

NASA Technical Reports Server (NTRS)

Wu, Yue; Friauf, Robert J.

1989-01-01

A technique is introduced for including thermal conduction in molecular dynamics simulations for solids. A model is developed to allow energy flow between the computational cell and the bulk of the solid when periodic boundary conditions cannot be used. Thermal conduction is achieved by scaling the velocities of atoms in a transitional boundary layer. The scaling factor is obtained from the thermal diffusivity, and the results show good agreement with the solution for a continuous medium at long times. The effects of different temperature and size of the system, and of variations in strength parameter, atomic mass, and thermal diffusivity were investigated. In all cases, no significant change in simulation results has been found.

Real-time simulation of thermal shadows with EMIT

NASA Astrophysics Data System (ADS)

Klein, Andreas; Oberhofer, Stefan; Schätz, Peter; Nischwitz, Alfred; Obermeier, Paul

2016-05-01

Modern missile systems use infrared imaging for tracking or target detection algorithms. The development and validation processes of these missile systems need high fidelity simulations capable of stimulating the sensors in real-time with infrared image sequences from a synthetic 3D environment. The Extensible Multispectral Image Generation Toolset (EMIT) is a modular software library developed at MBDA Germany for the generation of physics-based infrared images in real-time. EMIT is able to render radiance images in full 32-bit floating point precision using state of the art computer graphics cards and advanced shader programs. An important functionality of an infrared image generation toolset is the simulation of thermal shadows as these may cause matching errors in tracking algorithms. However, for real-time simulations, such as hardware in the loop simulations (HWIL) of infrared seekers, thermal shadows are often neglected or precomputed as they require a thermal balance calculation in four-dimensions (3D geometry in one-dimensional time up to several hours in the past). In this paper we will show the novel real-time thermal simulation of EMIT. Our thermal simulation is capable of simulating thermal effects in real-time environments, such as thermal shadows resulting from the occlusion of direct and indirect irradiance. We conclude our paper with the practical use of EMIT in a missile HWIL simulation.

Simulating the Thermal Response of High Explosives on Time Scales of Days to Microseconds

NASA Astrophysics Data System (ADS)

Yoh, Jack J.; McClelland, Matthew A.

2004-07-01

We present an overview of computational techniques for simulating the thermal cookoff of high explosives using a multi-physics hydrodynamics code, ALE3D. Recent improvements to the code have aided our computational capability in modeling the response of energetic materials systems exposed to extreme thermal environments, such as fires. We consider an idealized model process for a confined explosive involving the transition from slow heating to rapid deflagration in which the time scale changes from days to hundreds of microseconds. The heating stage involves thermal expansion and decomposition according to an Arrhenius kinetics model while a pressure-dependent burn model is employed during the explosive phase. We describe and demonstrate the numerical strategies employed to make the transition from slow to fast dynamics.

Computer Simulation Performed for Columbia Project Cooling System

NASA Technical Reports Server (NTRS)

Ahmad, Jasim

2005-01-01

This demo shows a high-fidelity simulation of the air flow in the main computer room housing the Columbia (10,024 intel titanium processors) system. The simulation asseses the performance of the cooling system and identified deficiencies, and recommended modifications to eliminate them. It used two in house software packages on NAS supercomputers: Chimera Grid tools to generate a geometric model of the computer room, OVERFLOW-2 code for fluid and thermal simulation. This state-of-the-art technology can be easily extended to provide a general capability for air flow analyses on any modern computer room. Columbia_CFD_black.tiff

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

Equivalence of the equilibrium and the nonequilibrium molecular dynamics methods for thermal conductivity calculations: From bulk to nanowire silicon

NASA Astrophysics Data System (ADS)

Dong, Haikuan; Fan, Zheyong; Shi, Libin; Harju, Ari; Ala-Nissila, Tapio

2018-03-01

Molecular dynamics (MD) simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo formula in equilibrium MD (EMD) simulations or using Fourier's law in nonequilibrium MD (NEMD) simulations. These two methods have not been systematically compared for materials with different dimensions and inconsistencies between them have been occasionally reported in the literature. Here we give an in-depth comparison of them in terms of heat transport in three allotropes of Si: three-dimensional bulk silicon, two-dimensional silicene, and quasi-one-dimensional silicon nanowire. By multiplying the correlation time in the Green-Kubo formula with an appropriate effective group velocity, we can express the running thermal conductivity in the EMD method as a function of an effective length and directly compare it to the length-dependent thermal conductivity in the NEMD method. We find that the two methods quantitatively agree with each other for all the systems studied, firmly establishing their equivalence in computing thermal conductivity.

A physics-based algorithm for real-time simulation of electrosurgery procedures in minimally invasive surgery.

PubMed

Lu, Zhonghua; Arikatla, Venkata S; Han, Zhongqing; Allen, Brian F; De, Suvranu

2014-12-01

High-frequency electricity is used in the majority of surgical interventions. However, modern computer-based training and simulation systems rely on physically unrealistic models that fail to capture the interplay of the electrical, mechanical and thermal properties of biological tissue. We present a real-time and physically realistic simulation of electrosurgery by modelling the electrical, thermal and mechanical properties as three iteratively solved finite element models. To provide subfinite-element graphical rendering of vaporized tissue, a dual-mesh dynamic triangulation algorithm based on isotherms is proposed. The block compressed row storage (BCRS) structure is shown to be critical in allowing computationally efficient changes in the tissue topology due to vaporization. We have demonstrated our physics-based electrosurgery cutting algorithm through various examples. Our matrix manipulation algorithms designed for topology changes have shown low computational cost. Our simulator offers substantially greater physical fidelity compared to previous simulators that use simple geometry-based heat characterization. Copyright © 2013 John Wiley & Sons, Ltd.

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.

A Monte Carlo simulation and setup optimization of output efficiency to PGNAA thermal neutron using 252Cf neutrons

NASA Astrophysics Data System (ADS)

Zhang, Jin-Zhao; Tuo, Xian-Guo

2014-07-01

We present the design and optimization of a prompt γ-ray neutron activation analysis (PGNAA) thermal neutron output setup based on Monte Carlo simulations using MCNP5 computer code. In these simulations, the moderator materials, reflective materials, and structure of the PGNAA 252Cf neutrons of thermal neutron output setup are optimized. The simulation results reveal that the thin layer paraffin and the thick layer of heavy water moderating effect work best for the 252Cf neutron spectrum. Our new design shows a significantly improved performance of the thermal neutron flux and flux rate, that are increased by 3.02 times and 3.27 times, respectively, compared with the conventional neutron source design.

THERMAL-ENERGY STORAGE IN A DEEP SANDSTONE AQUIFER IN MINNESOTA: FIELD OBSERVATIONS AND THERMAL ENERGY-TRANSPORT MODELING.

USGS Publications Warehouse

Miller, R.T.

1986-01-01

A study of the feasibility of storing heated water in a deep sandstone aquifer in Minnesota is described. The aquifer consists of four hydraulic zones that are areally anisotropic and have average hydraulic conductivities that range from 0. 03 to 1. 2 meters per day. A preliminary axially symmetric, nonisothermal, isotropic, single-phase, radial-flow, thermal-energy-transport model was constructed to investigate the sensitivity of model simulation to various hydraulic and thermal properties of the aquifer. A three-dimensional flow and thermal-energy transport model was constructed to incorporate the areal anisotropy of the aquifer. Analytical solutions of equations describing areally anisotropic groundwater flow around a doublet-well system were used to specify model boundary conditions for simulation of heat injection. The entire heat-injection-testing period of approximately 400 days was simulated. Model-computed temperatures compared favorably with field-recorded temperatures, with differences of no more than plus or minus 8 degree C. For each test cycle, model-computed aquifer thermal efficiency, defined as total heat withdrawn divided by total heat injected, was within plus or minus 2% of the field-calculated values.

[Research progress and development trend of quantitative assessment techniques for urban thermal environment.

PubMed

Sun, Tie Gang; Xiao, Rong Bo; Cai, Yun Nan; Wang, Yao Wu; Wu, Chang Guang

2016-08-01

Quantitative assessment of urban thermal environment has become a focus for urban climate and environmental science since the concept of urban heat island has been proposed. With the continual development of space information and computer simulation technology, substantial progresses have been made on quantitative assessment techniques and methods of urban thermal environment. The quantitative assessment techniques have been developed to dynamics simulation and forecast of thermal environment at various scales based on statistical analysis of thermal environment on urban-scale using the historical data of weather stations. This study reviewed the development progress of ground meteorological observation, thermal infrared remote sensing and numerical simulation. Moreover, the potential advantages and disadvantages, applicability and the development trends of these techniques were also summarized, aiming to add fundamental knowledge of understanding the urban thermal environment assessment and optimization.

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.

Thermal modeling with solid/liquid phase change of the thermal energy storage experiment

NASA Technical Reports Server (NTRS)

Skarda, J. Raymond Lee

1991-01-01

A thermal model which simulates combined conduction and phase change characteristics of thermal energy storage (TES) materials is presented. Both the model and results are presented for the purpose of benchmarking the conduction and phase change capabilities of recently developed and unvalidated microgravity TES computer programs. Specifically, operation of TES-1 is simulated. A two-dimensional SINDA85 model of the TES experiment in cylindrical coordinates was constructed. The phase change model accounts for latent heat stored in, or released from, a node undergoing melting and freezing.

Computational Analysis on Performance of Thermal Energy Storage (TES) Diffuser

NASA Astrophysics Data System (ADS)

Adib, M. A. H. M.; Adnan, F.; Ismail, A. R.; Kardigama, K.; Salaam, H. A.; Ahmad, Z.; Johari, N. H.; Anuar, Z.; Azmi, N. S. N.

2012-09-01

Application of thermal energy storage (TES) system reduces cost and energy consumption. The performance of the overall operation is affected by diffuser design. In this study, computational analysis is used to determine the thermocline thickness. Three dimensional simulations with different tank height-to-diameter ratio (HD), diffuser opening and the effect of difference number of diffuser holes are investigated. Medium HD tanks simulations with double ring octagonal diffuser show good thermocline behavior and clear distinction between warm and cold water. The result show, the best performance of thermocline thickness during 50% time charging occur in medium tank with height-to-diameter ratio of 4.0 and double ring octagonal diffuser with 48 holes (9mm opening ~ 60%) acceptable compared to diffuser with 6mm ~ 40% and 12mm ~ 80% opening. The conclusion is computational analysis method are very useful in the study on performance of thermal energy storage (TES).

The Equivalent Thermal Resistance of Tile Roofs with and without Batten Systems

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

Miller, William A

Clay and concrete tile roofs were installed on a fully instrumented attic test facility operating in East Tennessee s climate. Roof, attic and deck temperatures and heat flows were recorded for each of the tile roofs and also on an adjacent attic cavity covered with a conventionally pigmented and direct-nailed asphalt shingle roof. The data were used to benchmark a computer tool for simulation of roofs and attics and the tool used to develop an approach for computing an equivalent seasonal R-value for sub-tile venting. The approach computed equal heat fluxes through the ceilings of roofs having different combinations ofmore » surface radiation properties and or building constructions. A direct nailed shingle roof served as a control for estimating the equivalent thermal resistance of the air space. Simulations were benchmarked to data in the ASHRAE Fundamentals for the thermal resistance of inclined and closed air spaces.« less

Experimental verification of a thermal equivalent circuit dynamic model on an extended range electric vehicle battery pack

NASA Astrophysics Data System (ADS)

Ramotar, Lokendra; Rohrauer, Greg L.; Filion, Ryan; MacDonald, Kathryn

2017-03-01

The development of a dynamic thermal battery model for hybrid and electric vehicles is realized. A thermal equivalent circuit model is created which aims to capture and understand the heat propagation from the cells through the entire pack and to the environment using a production vehicle battery pack for model validation. The inclusion of production hardware and the liquid battery thermal management system components into the model considers physical and geometric properties to calculate thermal resistances of components (conduction, convection and radiation) along with their associated heat capacity. Various heat sources/sinks comprise the remaining model elements. Analog equivalent circuit simulations using PSpice are compared to experimental results to validate internal temperature nodes and heat rates measured through various elements, which are then employed to refine the model further. Agreement with experimental results indicates the proposed method allows for a comprehensive real-time battery pack analysis at little computational expense when compared to other types of computer based simulations. Elevated road and ambient conditions in Mesa, Arizona are simulated on a parked vehicle with varying quiescent cooling rates to examine the effect on the diurnal battery temperature for longer term static exposure. A typical daily driving schedule is also simulated and examined.

First-principles simulations of heat transport

NASA Astrophysics Data System (ADS)

Puligheddu, Marcello; Gygi, Francois; Galli, Giulia

2017-11-01

Advances in understanding heat transport in solids were recently reported by both experiment and theory. However an efficient and predictive quantum simulation framework to investigate thermal properties of solids, with the same complexity as classical simulations, has not yet been developed. Here we present a method to compute the thermal conductivity of solids by performing ab initio molecular dynamics at close to equilibrium conditions, which only requires calculations of first-principles trajectories and atomic forces, thus avoiding direct computation of heat currents and energy densities. In addition the method requires much shorter sequential simulation times than ordinary molecular dynamics techniques, making it applicable within density functional theory. We discuss results for a representative oxide, MgO, at different temperatures and for ordered and nanostructured morphologies, showing the performance of the method in different conditions.

An Experiment in the Use of Computer-Based Education to Teach Energy Considerations in Architectural Design.

ERIC Educational Resources Information Center

Arumi, Francisco N.

Computer programs capable of describing the thermal behavior of buildings are used to help architectural students understand environmental systems. The Numerical Simulation Laboratory at the Architectural School of the University of Texas at Austin was developed to provide the necessary software capable of simulating the energy transactions…

The application of simulation modeling to the cost and performance ranking of solar thermal power plants

NASA Technical Reports Server (NTRS)

Rosenberg, L. S.; Revere, W. R.; Selcuk, M. K.

1981-01-01

Small solar thermal power systems (up to 10 MWe in size) were tested. The solar thermal power plant ranking study was performed to aid in experiment activity and support decisions for the selection of the most appropriate technological approach. The cost and performance were determined for insolation conditions by utilizing the Solar Energy Simulation computer code (SESII). This model optimizes the size of the collector field and energy storage subsystem for given engine generator and energy transport characteristics. The development of the simulation tool, its operation, and the results achieved from the analysis are discussed.

Lenard-Balescu calculations and classical molecular dynamics simulations of electrical and thermal conductivities of hydrogen plasmas

DOE PAGES

Whitley, Heather D.; Scullard, Christian R.; Benedict, Lorin X.; ...

2014-12-04

Here, we present a discussion of kinetic theory treatments of linear electrical and thermal transport in hydrogen plasmas, for a regime of interest to inertial confinement fusion applications. In order to assess the accuracy of one of the more involved of these approaches, classical Lenard-Balescu theory, we perform classical molecular dynamics simulations of hydrogen plasmas using 2-body quantum statistical potentials and compute both electrical and thermal conductivity from out particle trajectories using the Kubo approach. Our classical Lenard-Balescu results employing the identical statistical potentials agree well with the simulations.

Atomistic simulation of the thermal conductivity in amorphous SiO2 matrix/Ge nanocrystal composites

NASA Astrophysics Data System (ADS)

Kuryliuk, Vasyl V.; Korotchenkov, Oleg A.

2017-04-01

We use nonequilibrium molecular dynamics computer simulations with the Tersoff potential aiming to provide a comprehensive picture of the thermal conductivity of amorphous SiO2 (a-SiO2) matrix with embedded Ge nanocrystals (nc-Ge). The modelling predicts the a-SiO2 matrix thermal conductivity in a temperature range of 50 < T < 500 K yielding a fair agreement with experiment at around room temperature. It is worth noticing that the predicted room-temperature thermal conductivity in a-SiO2 is in very good agreement with the experimental result, which is in marked contrast with the thermal conductivity calculated employing the widely used van Beest-Kramer-van Santen (BKS) potential. We show that the thermal conductivity of composite nc-Ge/a-SiO2 systems decreases steadily with increasing the volume fraction of Ge inclusions, indicative of enhanced interface scattering of phonons imposed by embedded Ge nanocrystals. We also observe that increasing the volume fractions above a certain threshold value results in a progressively increased thermal conductivity of the nanocomposite, which can be explained by increasing volume fraction of a better thermally conducting Ge. Finally, non-equilibrium molecular dynamics simulations with the Tersoff potential are promising for computing the thermal conductivity of nanocomposites based on amorphous SiO2 and can be readily scaled to more complex composite structures with embedded nanoparticles, which thus help design nanocomposites with desired thermal properties.

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.

Integration of symbolic and algorithmic hardware and software for the automation of space station subsystems

NASA Technical Reports Server (NTRS)

Gregg, Hugh; Healey, Kathleen; Hack, Edmund; Wong, Carla

1987-01-01

Expert systems that require access to data bases, complex simulations and real time instrumentation have both symbolic as well as algorithmic computing needs. These needs could both be met using a general computing workstation running both symbolic and algorithmic code, or separate, specialized computers networked together. The later approach was chosen to implement TEXSYS, the thermal expert system, developed to demonstrate the ability of an expert system to autonomously control the thermal control system of the space station. TEXSYS has been implemented on a Symbolics workstation, and will be linked to a microVAX computer that will control a thermal test bed. Integration options are explored and several possible solutions are presented.

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.

Atmospheric cloud physics thermal systems analysis

NASA Technical Reports Server (NTRS)

1977-01-01

Engineering analyses performed on the Atmospheric Cloud Physics (ACPL) Science Simulator expansion chamber and associated thermal control/conditioning system are reported. Analyses were made to develop a verified thermal model and to perform parametric thermal investigations to evaluate systems performance characteristics. Thermal network representations of solid components and the complete fluid conditioning system were solved simultaneously using the Systems Improved Numerical Differencing Analyzer (SINDA) computer program.

Computer Simulation of Electron Thermalization in CsI and CsI(Tl)

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

Wang, Zhiguo; Xie, YuLong; Cannon, Bret D.

2011-09-15

A Monte Carlo (MC) model was developed and implemented to simulate the thermalization of electrons in inorganic scintillator materials. The model incorporates electron scattering with both longitudinal optical and acoustic phonons. In this paper, the MC model was applied to simulate electron thermalization in CsI, both pure and doped with a range of thallium concentrations. The inclusion of internal electric fields was shown to increase the fraction of recombined electron-hole pairs and to broaden the thermalization distance and thermalization time distributions. The MC simulations indicate that electron thermalization, following {gamma}-ray excitation, takes place within approximately 10 ps in CsI andmore » that electrons can travel distances up to several hundreds of nanometers. Electron thermalization was studied for a range of incident {gamma}-ray energies using electron-hole pair spatial distributions generated by the MC code NWEGRIM (NorthWest Electron and Gamma Ray Interaction in Matter). These simulations revealed that the partition of thermalized electrons between different species (e.g., recombined with self-trapped holes or trapped at thallium sites) vary with the incident energy. Implications for the phenomenon of nonlinearity in scintillator light yield are discussed.« less

Temperature mapping and thermal dose calculation in combined radiation therapy and 13.56 MHz radiofrequency hyperthermia for tumor treatment

NASA Astrophysics Data System (ADS)

Kim, Jung Kyung; Prasad, Bibin; Kim, Suzy

2017-02-01

To evaluate the synergistic effect of radiotherapy and radiofrequency hyperthermia therapy in the treatment of lung and liver cancers, we studied the mechanism of heat absorption and transfer in the tumor using electro-thermal simulation and high-resolution temperature mapping techniques. A realistic tumor-induced mouse anatomy, which was reconstructed and segmented from computed tomography images, was used to determine the thermal distribution in tumors during radiofrequency (RF) heating at 13.56 MHz. An RF electrode was used as a heat source, and computations were performed with the aid of the multiphysics simulation platform Sim4Life. Experiments were carried out on a tumor-mimicking agar phantom and a mouse tumor model to obtain a spatiotemporal temperature map and thermal dose distribution. A high temperature increase was achieved in the tumor from both the computation and measurement, which elucidated that there was selective high-energy absorption in tumor tissue compared to the normal surrounding tissues. The study allows for effective treatment planning for combined radiation and hyperthermia therapy based on the high-resolution temperature mapping and high-precision thermal dose calculation.

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).

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.

Optimizing isotope substitution in graphene for thermal conductivity minimization by genetic algorithm driven molecular simulations

NASA Astrophysics Data System (ADS)

Davies, Michael; Ganapathysubramanian, Baskar; Balasubramanian, Ganesh

2017-03-01

We present results from a computational framework integrating genetic algorithm and molecular dynamics simulations to systematically design isotope engineered graphene structures for reduced thermal conductivity. In addition to the effect of mass disorder, our results reveal the importance of atomic distribution on thermal conductivity for the same isotopic concentration. Distinct groups of isotope-substituted graphene sheets are identified based on the atomic composition and distribution. Our results show that in structures with equiatomic compositions, the enhanced scattering by lattice vibrations results in lower thermal conductivities due to the absence of isotopic clusters.

Model Comparison for Electron Thermal Transport

NASA Astrophysics Data System (ADS)

Moses, Gregory; Chenhall, Jeffrey; Cao, Duc; Delettrez, Jacques

2015-11-01

Four electron thermal transport models are compared for their ability to accurately and efficiently model non-local behavior in ICF simulations. Goncharov's transport model has accurately predicted shock timing in implosion simulations but is computationally slow and limited to 1D. The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. uses multigroup diffusion to speed up the calculation. Chenhall has expanded upon the iSNB diffusion model to a higher order simplified P3 approximation and a Monte Carlo transport model, to bridge the gap between the iSNB and Goncharov models while maintaining computational efficiency. Comparisons of the above models for several test problems will be presented. This work was supported by Sandia National Laboratory - Albuquerque and the University of Rochester Laboratory for Laser Energetics.

Computer simulations of ions in radio-frequency traps

NASA Technical Reports Server (NTRS)

Williams, A.; Prestage, J. D.; Maleki, L.; Djomehri, J.; Harabetian, E.

1990-01-01

The motion of ions in a trapped-ion frequency standard affects the stability of the standard. In order to study the motion and structures of large ion clouds in a radio-frequency (RF) trap, a computer simulation of the system that incorporates the effect of thermal excitation of the ions was developed. Results are presented from the simulation for cloud sizes up to 512 ions, emphasizing cloud structures in the low-temperature regime.

Optical clearing of vaginal tissues, ex vivo, for minimally invasive laser treatment of female stress urinary incontinence

NASA Astrophysics Data System (ADS)

Chang, Chun-Hung; Myers, Erinn M.; Kennelly, Michael J.; Fried, Nathaniel M.

2017-01-01

Near-infrared laser energy in conjunction with applied tissue cooling is being investigated for thermal remodeling of the endopelvic fascia during minimally invasive treatment of female stress urinary incontinence. Previous computer simulations of light transport, heat transfer, and tissue thermal damage have shown that a transvaginal approach is more feasible than a transurethral approach. However, results were suboptimal, and some undesirable thermal insult to the vaginal wall was still predicted. This study uses experiments and computer simulations to explore whether application of an optical clearing agent (OCA) can further improve optical penetration depth and completely preserve the vaginal wall during subsurface treatment of the endopelvic fascia. Several different mixtures of OCA's were tested, and 100% glycerol was found to be the optimal agent. Optical transmission studies, optical coherence tomography, reflection spectroscopy, and computer simulations [including Monte Carlo (MC) light transport, heat transfer, and Arrhenius integral model of thermal damage] using glycerol were performed. The OCA produced a 61% increase in optical transmission through porcine vaginal wall at 37°C after 30 min. The MC model showed improved energy deposition in endopelvic fascia using glycerol. Without OCA, 62%, 37%, and 1% of energy was deposited in vaginal wall, endopelvic fascia, and urethral wall, respectively, compared with 50%, 49%, and 1% using OCA. Use of OCA also resulted in 0.5-mm increase in treatment depth, allowing potential thermal tissue remodeling at a depth of 3 mm with complete preservation of the vaginal wall.

Simulation of Foam Impact Effects on Components of the Space Shuttle Thermal Protection System. Chapter 7

NASA Technical Reports Server (NTRS)

Fahrenthold, Eric P.; Park, Young-Keun

2004-01-01

A series of three dimensional simulations has been performed to investigate analytically the effect of insulating foam impacts on ceramic tile and reinforced carbon-carbon components of the Space Shuttle thermal protection system. The simulations employed a hybrid particle-finite element method and a parallel code developed for use in spacecraft design applications. The conclusions suggested by the numerical study are in general consistent with experiment. The results emphasize the need for additional material testing work on the dynamic mechanical response of thermal protection system materials, and additional impact experiments for use in validating computational models of impact effects.

A modern space simulation facility to accommodate high production acceptance testing

NASA Technical Reports Server (NTRS)

Glover, J. D.

1986-01-01

A space simulation laboratory that supports acceptance testing of spacecraft and associated subsystems at throughput rates as high as nine per year is discussed. The laboratory includes a computer operated 27' by 30' space simulation, a 20' by 20' by 20' thermal cycle chamber and an eight station thermal cycle/thermal vacuum test system. The design philosophy and unique features of each system are discussed. The development of operating procedures, test team requirements, test team integration, and other peripheral activation details are described. A discussion of special accommodations for the efficient utilization of the systems in support of high rate production is presented.

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.

Composition and Manufacturing Effects on Electrical Conductivity of Li/FeS 2 Thermal Battery Cathodes

DOE PAGES

Reinholz, Emilee L.; Roberts, Scott A.; Apblett, Christopher A.; ...

2016-06-11

The electrical conductivity is key to the performance of thermal battery cathodes. In this work we present the effects of manufacturing and processing conditions on the electrical conductivity of Li/FeS2 thermal battery cathodes. Finite element simulations were used to compute the conductivity of three-dimensional microcomputed tomography cathode microstructures and compare results to experimental impedance spectroscopy measurements. A regression analysis reveals a predictive relationship between composition, processing conditions, and electrical conductivity; a trend which is largely erased after thermally-induced deformation. Moreover, the trend applies to both experimental and simulation results, although is not as apparent in simulations. This research is amore » step toward a more fundamental understanding of the effects of processing and composition on thermal battery component microstructure, properties, and performance.« less

Kinetic Monte Carlo Simulation of Cation Diffusion in Low-K Ceramics

NASA Technical Reports Server (NTRS)

Good, Brian

2013-01-01

Low thermal conductivity (low-K) ceramic materials are of interest to the aerospace community for use as the thermal barrier component of coating systems for turbine engine components. In particular, zirconia-based materials exhibit both low thermal conductivity and structural stability at high temperature, making them suitable for such applications. Because creep is one of the potential failure modes, and because diffusion is a mechanism by which creep takes place, we have performed computer simulations of cation diffusion in a variety of zirconia-based low-K materials. The kinetic Monte Carlo simulation method is an alternative to the more widely known molecular dynamics (MD) method. It is designed to study "infrequent-event" processes, such as diffusion, for which MD simulation can be highly inefficient. We describe the results of kinetic Monte Carlo computer simulations of cation diffusion in several zirconia-based materials, specifically, zirconia doped with Y, Gd, Nb and Yb. Diffusion paths are identified, and migration energy barriers are obtained from density functional calculations and from the literature. We present results on the temperature dependence of the diffusivity, and on the effects of the presence of oxygen vacancies in cation diffusion barrier complexes as well.

Advanced Computational Methods for Thermal Radiative Heat Transfer

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

Tencer, John; Carlberg, Kevin Thomas; Larsen, Marvin E.

2016-10-01

Participating media radiation (PMR) in weapon safety calculations for abnormal thermal environments are too costly to do routinely. This cost may be s ubstantially reduced by applying reduced order modeling (ROM) techniques. The application of ROM to PMR is a new and unique approach for this class of problems. This approach was investigated by the authors and shown to provide significant reductions in the computational expense associated with typical PMR simulations. Once this technology is migrated into production heat transfer analysis codes this capability will enable the routine use of PMR heat transfer in higher - fidelity simulations of weaponmore » resp onse in fire environments.« less

The IRGen infrared data base modeler

NASA Technical Reports Server (NTRS)

Bernstein, Uri

1993-01-01

IRGen is a modeling system which creates three-dimensional IR data bases for real-time simulation of thermal IR sensors. Starting from a visual data base, IRGen computes the temperature and radiance of every data base surface with a user-specified thermal environment. The predicted gray shade of each surface is then computed from the user specified sensor characteristics. IRGen is based on first-principles models of heat transport and heat flux sources, and it accurately simulates the variations of IR imagery with time of day and with changing environmental conditions. The starting point for creating an IRGen data base is a visual faceted data base, in which every facet has been labeled with a material code. This code is an index into a material data base which contains surface and bulk thermal properties for the material. IRGen uses the material properties to compute the surface temperature at the specified time of day. IRGen also supports image generator features such as texturing and smooth shading, which greatly enhance image realism.

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.

Thermal Protection System Cavity Heating for Simplified and Actual Geometries Using Computational Fluid Dynamics Simulations with Unstructured Grids

NASA Technical Reports Server (NTRS)

McCloud, Peter L.

2010-01-01

Thermal Protection System (TPS) Cavity Heating is predicted using Computational Fluid Dynamics (CFD) on unstructured grids for both simplified cavities and actual cavity geometries. Validation was performed using comparisons to wind tunnel experimental results and CFD predictions using structured grids. Full-scale predictions were made for simplified and actual geometry configurations on the Space Shuttle Orbiter in a mission support timeframe.

ENGINEERING APPLICATIONS OF ANALOG COMPUTERS

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

Bryant, L.T.; Janicke, M.J.; Just, L.C.

1961-02-01

Six examples are given of the application of analog computers in the fields of reactor engineering, heat transfer, and dynamics: deceleration of a reactor control rod by dashpot, pressure variations through a packed bed, reactor kinetics over many decades with thermal feedback (simulation of a TREAT transient), vibrating system with two degrees of freedom, temperature distribution in a radiating fin, and temperature distribution in an irfinite slab with variable thermal properties. (D.L.C.)

Numerical simulation of thermal stress distributions in Czochralski-grown silicon crystals

NASA Astrophysics Data System (ADS)

Kumar, M. Avinash; Srinivasan, M.; Ramasamy, P.

2018-04-01

Numerical simulation is one of the important tools in the investigation and optimization of the single-crystal silicon grown by the Czochralski (Cz) method. A 2D steady global heat transfer model was used to investigate the temperature distribution and the thermal stress distributions at particular crystal position during the Cz growth process. The computation determines the thermal stress such as von Mises stress and maximum shear stress distribution along grown crystal and shows possible reason for dislocation formation in the Cz-grown single-crystal silicon.

Multiphase, multi-electrode Joule heat computations for glass melter and in situ vitrification simulations

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

Lowery, P.S.; Lessor, D.L.

Waste glass melter and in situ vitrification (ISV) processes represent the combination of electrical thermal, and fluid flow phenomena to produce a stable waste-from product. Computational modeling of the thermal and fluid flow aspects of these processes provides a useful tool for assessing the potential performance of proposed system designs. These computations can be performed at a fraction of the cost of experiment. Consequently, computational modeling of vitrification systems can also provide and economical means for assessing the suitability of a proposed process application. The computational model described in this paper employs finite difference representations of the basic continuum conservationmore » laws governing the thermal, fluid flow, and electrical aspects of the vitrification process -- i.e., conservation of mass, momentum, energy, and electrical charge. The resulting code is a member of the TEMPEST family of codes developed at the Pacific Northwest Laboratory (operated by Battelle for the US Department of Energy). This paper provides an overview of the numerical approach employed in TEMPEST. In addition, results from several TEMPEST simulations of sample waste glass melter and ISV processes are provided to illustrate the insights to be gained from computational modeling of these processes. 3 refs., 13 figs.« less

Computer and control applications in a vegetable processing plant

USDA-ARS?s Scientific Manuscript database

There are many advantages to the use of computers and control in food industry. Software in the food industry takes 2 forms - general purpose commercial computer software and software for specialized applications, such as drying and thermal processing of foods. Many applied simulation models for d...

Program For Analysis Of Metal-Matrix Composites

NASA Technical Reports Server (NTRS)

Murthy, P. L. N.; Mital, S. K.

1994-01-01

METCAN (METal matrix Composite ANalyzer) is computer program used to simulate computationally nonlinear behavior of high-temperature metal-matrix composite structural components in specific applications, providing comprehensive analyses of thermal and mechanical performances. Written in FORTRAN 77.

Cinema Fire Modelling by FDS

NASA Astrophysics Data System (ADS)

Glasa, J.; Valasek, L.; Weisenpacher, P.; Halada, L.

2013-02-01

Recent advances in computer fluid dynamics (CFD) and rapid increase of computational power of current computers have led to the development of CFD models capable to describe fire in complex geometries incorporating a wide variety of physical phenomena related to fire. In this paper, we demonstrate the use of Fire Dynamics Simulator (FDS) for cinema fire modelling. FDS is an advanced CFD system intended for simulation of the fire and smoke spread and prediction of thermal flows, toxic substances concentrations and other relevant parameters of fire. The course of fire in a cinema hall is described focusing on related safety risks. Fire properties of flammable materials used in the simulation were determined by laboratory measurements and validated by fire tests and computer simulations

The application of simulation modeling to the cost and performance ranking of solar thermal power plants

NASA Technical Reports Server (NTRS)

Rosenberg, L. S.; Revere, W. R.; Selcuk, M. K.

1981-01-01

A computer simulation code was employed to evaluate several generic types of solar power systems (up to 10 MWe). Details of the simulation methodology, and the solar plant concepts are given along with cost and performance results. The Solar Energy Simulation computer code (SESII) was used, which optimizes the size of the collector field and energy storage subsystem for given engine-generator and energy-transport characteristics. Nine plant types were examined which employed combinations of different technology options, such as: distributed or central receivers with one- or two-axis tracking or no tracking; point- or line-focusing concentrator; central or distributed power conversion; Rankin, Brayton, or Stirling thermodynamic cycles; and thermal or electrical storage. Optimal cost curves were plotted as a function of levelized busbar energy cost and annualized plant capacity. Point-focusing distributed receiver systems were found to be most efficient (17-26 percent).

Twenty Years On!: Updating the IEA BESTEST Building Thermal Fabric Test Cases for ASHRAE Standard 140

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

Judkoff, R.; Neymark, J.

2013-07-01

ANSI/ASHRAE Standard 140, Standard Method of Test for the Evaluation of Building Energy Analysis Computer Programs applies the IEA BESTEST building thermal fabric test cases and example simulation results originally published in 1995. These software accuracy test cases and their example simulation results, which comprise the first test suite adapted for the initial 2001 version of Standard 140, are approaching their 20th anniversary. In response to the evolution of the state of the art in building thermal fabric modeling since the test cases and example simulation results were developed, work is commencing to update the normative test specification and themore » informative example results.« less

Twenty Years On!: Updating the IEA BESTEST Building Thermal Fabric Test Cases for ASHRAE Standard 140: Preprint

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

Judkoff, R.; Neymark, J.

2013-07-01

ANSI/ASHRAE Standard 140, Standard Method of Test for the Evaluation of Building Energy Analysis Computer Programs applies the IEA BESTEST building thermal fabric test cases and example simulation results originally published in 1995. These software accuracy test cases and their example simulation results, which comprise the first test suite adapted for the initial 2001 version of Standard 140, are approaching their 20th anniversary. In response to the evolution of the state of the art in building thermal fabric modeling since the test cases and example simulation results were developed, work is commencing to update the normative test specification and themore » informative example results.« less

Thermal Hydraulic Computational Fluid Dynamics Simulations and Experimental Investigation of Deformed Fuel Assemblies

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

Mays, Brian; Jackson, R. Brian

2017-03-08

The project, Toward a Longer Life Core: Thermal Hydraulic CFD Simulations and Experimental Investigation of Deformed Fuel Assemblies, DOE Project code DE-NE0008321, was a verification and validation project for flow and heat transfer through wire wrapped simulated liquid metal fuel assemblies that included both experiments and computational fluid dynamics simulations of those experiments. This project was a two year collaboration between AREVA, TerraPower, Argonne National Laboratory and Texas A&M University. Experiments were performed by AREVA and Texas A&M University. Numerical simulations of these experiments were performed by TerraPower and Argonne National Lab. Project management was performed by AREVA Federal Services.more » The first of a kind project resulted in the production of both local point temperature measurements and local flow mixing experiment data paired with numerical simulation benchmarking of the experiments. The project experiments included the largest wire-wrapped pin assembly Mass Index of Refraction (MIR) experiment in the world, the first known wire-wrapped assembly experiment with deformed duct geometries and the largest numerical simulations ever produced for wire-wrapped bundles.« less

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.

Optical clearing of vaginal tissues, ex vivo, for minimally invasive laser treatment of female stress urinary incontinence

PubMed Central

Chang, Chun-Hung; Myers, Erinn M.; Kennelly, Michael J.; Fried, Nathaniel M.

2017-01-01

Abstract. Near-infrared laser energy in conjunction with applied tissue cooling is being investigated for thermal remodeling of the endopelvic fascia during minimally invasive treatment of female stress urinary incontinence. Previous computer simulations of light transport, heat transfer, and tissue thermal damage have shown that a transvaginal approach is more feasible than a transurethral approach. However, results were suboptimal, and some undesirable thermal insult to the vaginal wall was still predicted. This study uses experiments and computer simulations to explore whether application of an optical clearing agent (OCA) can further improve optical penetration depth and completely preserve the vaginal wall during subsurface treatment of the endopelvic fascia. Several different mixtures of OCA’s were tested, and 100% glycerol was found to be the optimal agent. Optical transmission studies, optical coherence tomography, reflection spectroscopy, and computer simulations [including Monte Carlo (MC) light transport, heat transfer, and Arrhenius integral model of thermal damage] using glycerol were performed. The OCA produced a 61% increase in optical transmission through porcine vaginal wall at 37°C after 30 min. The MC model showed improved energy deposition in endopelvic fascia using glycerol. Without OCA, 62%, 37%, and 1% of energy was deposited in vaginal wall, endopelvic fascia, and urethral wall, respectively, compared with 50%, 49%, and 1% using OCA. Use of OCA also resulted in 0.5-mm increase in treatment depth, allowing potential thermal tissue remodeling at a depth of 3 mm with complete preservation of the vaginal wall. PMID:28301637

Multidimensional effects in the thermal response of fuel rod simulators. [PWR

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

Dabbs, R.D.; Ott, L.J.

1980-01-01

One of the primary objectives of the Oak Ridge National Laboratory Pressurized-Water Reactor Blowdown Heat Transfer Separate-Effects Program is the determination of the transient surface temperature and surface heat flux of fuel pin simulators (FPSs) from internal thermocouple signals obtained during a loss-of-coolant experiment (LOCE) in the Thermal-Hydraulics Test Facility. This analysis requires the solution of the classical inverse heat conduction problem. The assumptions that allow the governing differential equation to be reduced to one dimension can introduce significant errors in the computed surface heat flux and surface temperature. The degree to which these computed variables are perturbed is addressedmore » and quantified.« less

Digital Simulation Of Precise Sensor Degradations Including Non-Linearities And Shift Variance

NASA Astrophysics Data System (ADS)

Kornfeld, Gertrude H.

1987-09-01

Realistic atmospheric and Forward Looking Infrared Radiometer (FLIR) degradations were digitally simulated. Inputs to the routine are environmental observables and the FLIR specifications. It was possible to achieve realism in the thermal domain within acceptable computer time and random access memory (RAM) requirements because a shift variant recursive convolution algorithm that well describes thermal properties was invented and because each picture element (pixel) has radiative temperature, a materials parameter and range and altitude information. The computer generation steps start with the image synthesis of an undegraded scene. Atmospheric and sensor degradation follow. The final result is a realistic representation of an image seen on the display of a specific FLIR.

Shuttle environmental and thermal control/life support system computer program, supplement 1

NASA Technical Reports Server (NTRS)

Ayotte, W. J.

1975-01-01

The computer programs developed to simulate the RSECS (Representative Shuttle Environmental Control System) were described. These programs were prepared to provide pretest predictions, post-test analysis and real time problem analysis for RSECS test planning and evaluation.

Atomistic modeling of thermomechanical properties of SWNT/Epoxy nanocomposites

NASA Astrophysics Data System (ADS)

Fasanella, Nicholas; Sundararaghavan, Veera

2015-09-01

Molecular dynamics simulations are performed to compute thermomechanical properties of cured epoxy resins reinforced with pristine and covalently functionalized carbon nanotubes. A DGEBA-DDS epoxy network was built using the ‘dendrimer’ growth approach where 75% of available epoxy sites were cross-linked. The epoxy model is verified through comparisons to experiments, and simulations are performed on nanotube reinforced cross-linked epoxy matrix using the CVFF force field in LAMMPS. Full stiffness matrices and linear coefficient of thermal expansion vectors are obtained for the nanocomposite. Large increases in stiffness and large decreases in thermal expansion were seen along the direction of the nanotube for both nanocomposite systems when compared to neat epoxy. The direction transverse to nanotube saw a 40% increase in stiffness due to covalent functionalization over neat epoxy at 1 K whereas the pristine nanotube system only saw a 7% increase due to van der Waals effects. The functionalized SWNT/epoxy nanocomposite showed an additional 42% decrease in thermal expansion along the nanotube direction when compared to the pristine SWNT/epoxy nanocomposite. The stiffness matrices are rotated over every possible orientation to simulate the effects of an isotropic system of randomly oriented nanotubes in the epoxy. The randomly oriented covalently functionalized SWNT/Epoxy nanocomposites showed substantial improvements over the plain epoxy in terms of higher stiffness (200% increase) and lower thermal expansion (32% reduction). Through MD simulations, we develop means to build simulation cells, perform annealing to reach correct densities, compute thermomechanical properties and compare with experiments.

Fundamentals, current state of the development of, and prospects for further improvement of the new-generation thermal-hydraulic computational HYDRA-IBRAE/LM code for simulation of fast reactor systems

NASA Astrophysics Data System (ADS)

Alipchenkov, V. M.; Anfimov, A. M.; Afremov, D. A.; Gorbunov, V. S.; Zeigarnik, Yu. A.; Kudryavtsev, A. V.; Osipov, S. L.; Mosunova, N. A.; Strizhov, V. F.; Usov, E. V.

2016-02-01

The conceptual fundamentals of the development of the new-generation system thermal-hydraulic computational HYDRA-IBRAE/LM code are presented. The code is intended to simulate the thermalhydraulic processes that take place in the loops and the heat-exchange equipment of liquid-metal cooled fast reactor systems under normal operation and anticipated operational occurrences and during accidents. The paper provides a brief overview of Russian and foreign system thermal-hydraulic codes for modeling liquid-metal coolants and gives grounds for the necessity of development of a new-generation HYDRA-IBRAE/LM code. Considering the specific engineering features of the nuclear power plants (NPPs) equipped with the BN-1200 and the BREST-OD-300 reactors, the processes and the phenomena are singled out that require a detailed analysis and development of the models to be correctly described by the system thermal-hydraulic code in question. Information on the functionality of the computational code is provided, viz., the thermalhydraulic two-phase model, the properties of the sodium and the lead coolants, the closing equations for simulation of the heat-mass exchange processes, the models to describe the processes that take place during the steam-generator tube rupture, etc. The article gives a brief overview of the usability of the computational code, including a description of the support documentation and the supply package, as well as possibilities of taking advantages of the modern computer technologies, such as parallel computations. The paper shows the current state of verification and validation of the computational code; it also presents information on the principles of constructing of and populating the verification matrices for the BREST-OD-300 and the BN-1200 reactor systems. The prospects are outlined for further development of the HYDRA-IBRAE/LM code, introduction of new models into it, and enhancement of its usability. It is shown that the program of development and practical application of the code will allow carrying out in the nearest future the computations to analyze the safety of potential NPP projects at a qualitatively higher level.

In-depth analysis and modelling of self-heating effects in nanometric DGMOSFETs

NASA Astrophysics Data System (ADS)

Roldán, J. B.; González, B.; Iñiguez, B.; Roldán, A. M.; Lázaro, A.; Cerdeira, A.

2013-01-01

Self-heating effects (SHEs) in nanometric symmetrical double-gate MOSFETs (DGMOSFETs) have been analysed. An equivalent thermal circuit for the transistors has been developed to characterise thermal effects, where the temperature and thickness dependency of the thermal conductivity of the silicon and oxide layers within the devices has been included. The equivalent thermal circuit is consistent with simulations using a commercial technology computer-aided design (TCAD) tool (Sentaurus by Synopsys). In addition, a model for DGMOSFETs has been developed where SHEs have been considered in detail, taking into account the temperature dependence of the low-field mobility, saturation velocity, and inversion charge. The model correctly reproduces Sentaurus simulation data for the typical bias range used in integrated circuits. Lattice temperatures predicted by simulation are coherently reproduced by the model for varying silicon layer geometry.

A Finite-Rate Gas-Surface Interaction Model Informed by Fundamental Computational Chemistry Simulations

DTIC Science & Technology

2013-03-31

found to not thermally accommodate to the surface, rather they leave in excited vibrational levels. The new finite-rate model and thermal accommodation...vehicle’s thermal protection system (TPS). Many TPS materials act as a catalyst for the heterogeneous recombination of dissociated species back into...it is a significant component in both reusable (LI900, LI2200, FRSI) and ablative (SIRCA) thermal protection systems [24]. In addition, studies have

Thermal-hydraulics Analysis of a Radioisotope-powered Mars Hopper Propulsion System

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

Robert C. O'Brien; Andrew C. Klein; William T. Taitano

Thermal-hydraulics analyses results produced using a combined suite of computational design and analysis codes are presented for the preliminary design of a concept Radioisotope Thermal Rocket (RTR) propulsion system. Modeling of the transient heating and steady state temperatures of the system is presented. Simulation results for propellant blow down during impulsive operation are also presented. The results from this study validate the feasibility of a practical thermally capacitive RTR propulsion system.

Development of a phase-change thermal storage system using modified anhydrous sodium hydroxide for solar electric power generation

NASA Technical Reports Server (NTRS)

Cohen, B. M.; Rice, R. E.; Rowny, P. E.

1978-01-01

A thermal storage system for use in solar power electricity generation was investigated analytically and experimentally. The thermal storage medium is principally anhydrous NaOH with 8% NaNO3 and 0.2% MnO2. Heat is charged into storage at 584 K and discharged from storage at 582 K by Therminol-66. Physical and thermophysical properties of the storage medium were measured. A mathematical simulation and computer program describing the operation of the system were developed. A 1/10 scale model of a system capable of storing and delivering 3.1 x 10 to the 6th power kJ of heat was designed, built, and tested. Tests included steady state charging, discharging, idling, and charge-discharge conditions simulating a solar daily cycle. Experimental data and computer-predicted results are correlated. A reference design including cost estimates of the full-size system was developed.

Nuclear Engine System Simulation (NESS) version 2.0

NASA Technical Reports Server (NTRS)

Pelaccio, Dennis G.; Scheil, Christine M.; Petrosky, Lyman J.

1993-01-01

The topics are presented in viewgraph form and include the following; nuclear thermal propulsion (NTP) engine system analysis program development; nuclear thermal propulsion engine analysis capability requirements; team resources used to support NESS development; expanded liquid engine simulations (ELES) computer model; ELES verification examples; NESS program development evolution; past NTP ELES analysis code modifications and verifications; general NTP engine system features modeled by NESS; representative NTP expander, gas generator, and bleed engine system cycles modeled by NESS; NESS program overview; NESS program flow logic; enabler (NERVA type) nuclear thermal rocket engine; prismatic fuel elements and supports; reactor fuel and support element parameters; reactor parameters as a function of thrust level; internal shield sizing; and reactor thermal model.

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.

Simulation of abuse tolerance of lithium-ion battery packs

NASA Astrophysics Data System (ADS)

Spotnitz, Robert M.; Weaver, James; Yeduvaka, Gowri; Doughty, D. H.; Roth, E. P.

A simple approach for using accelerating rate calorimetry data to simulate the thermal abuse resistance of battery packs is described. The thermal abuse tolerance of battery packs is estimated based on the exothermic behavior of a single cell and an energy balance than accounts for radiative, conductive, and convective heat transfer modes of the pack. For the specific example of a notebook computer pack containing eight 18650-size cells, the effects of cell position, heat of reaction, and heat-transfer coefficient are explored. Thermal runaway of the pack is more likely to be induced by thermal runaway of a single cell when that cell is in good contact with other cells and is close to the pack wall.

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.

Experimental validation for thermal transmittances of window shading systems with perimeter gaps

DOE PAGES

Hart, Robert; Goudey, Howdy; Curcija, D. Charlie

2018-02-22

Virtually all residential and commercial windows in the U.S. have some form of window attachment, but few have been designed for energy savings. ISO 15099 presents a simulation framework to determine thermal performance of window attachments, but the model has not been validated for these products. This paper outlines a review and validation of the ISO 15099 centre-of-glass heat transfer correlations for perimeter gaps (top, bottom, and side) in naturally ventilated cavities through measurement and simulation. The thermal transmittance impact due to dimensional variations of these gaps is measured experimentally, simulated using computational fluid dynamics, and simulated utilizing simplified correlationsmore » from ISO 15099. Results show that the ISO 15099 correlations produce a mean error between measured and simulated heat flux of 2.5 ± 7%. These tolerances are similar to those obtained from sealed cavity comparisons and are deemed acceptable within the ISO 15099 framework.« less

Thermal insulation materials for inside applications: Hygric and thermal properties

NASA Astrophysics Data System (ADS)

Jerman, Miloš; Černý, Robert

2017-11-01

Two thermal insulation materials suitable for the application on the interior side of historical building envelopes, namely calcium silicate and polyurethane-based foam are studied. Moisture diffusivity and thermal conductivity of both materials, as fundamental moisture and heat transport parameters, are measured in a dependence on moisture content. The measured data will be used as input parameters in computer simulation studies which will provide moisture and temperature fields necessary for an appropriate design of interior thermal insulation systems.

A new approach for data acquisition at the JPL space simulators

NASA Technical Reports Server (NTRS)

Fisher, Terry C.

1992-01-01

In 1990, a personal computer based data acquisition system was put into service for the Space Simulators and Environmental Test Laboratory at the Jet Propulsion Laboratory (JPL) in Pasadena, California. The new system replaced an outdated minicomputer system which had been in use since 1980. This new data acquisition system was designed and built by JPL for the specific task of acquiring thermal test data in support of space simulation and thermal vacuum testing at JPL. The data acquisition system was designed using powerful personal computers and local-area-network (LAN) technology. Reliability, expandability, and maintainability were some of the most important criteria in the design of the data system and in the selection of hardware and software components. The data acquisition system is used to record both test chamber operational data and thermal data from the unit under test. Tests are conducted in numerous small thermal vacuum chambers and in the large solar simulator and range in size from individual components using only 2 or 3 thermocouples to entire planetary spacecraft requiring in excess of 1200 channels of test data. The system supports several of these tests running concurrently. The previous data system is described along with reasons for its replacement, the types of data acquired, the new data system, and the benefits obtained from the new system including information on tests performed to date.

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.

Scientific computations section monthly report, November 1993

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

Buckner, M.R.

1993-12-30

This progress report from the Savannah River Technology Center contains abstracts from papers from the computational modeling, applied statistics, applied physics, experimental thermal hydraulics, and packaging and transportation groups. Specific topics covered include: engineering modeling and process simulation, criticality methods and analysis, plutonium disposition.

Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

NASA Technical Reports Server (NTRS)

Lawson, John W.; Daw, Murray S.; Bauschlicher, Charles W.

2012-01-01

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

NASA Technical Reports Server (NTRS)

Lawson, John W.; Daw, Murray S.; Bauschlicher, Charles W.

2012-01-01

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Probabilistic Simulation of Combined Thermo-Mechanical Cyclic Fatigue in Composites

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

2011-01-01

A methodology to compute probabilistically-combined thermo-mechanical fatigue life of polymer matrix laminated composites has been developed and is demonstrated. Matrix degradation effects caused by long-term environmental exposure and mechanical/thermal cyclic loads are accounted for in the simulation process. A unified time-temperature-stress-dependent multifactor-interaction relationship developed at NASA Glenn Research Center has been used to model the degradation/aging of material properties due to cyclic loads. The fast probability-integration method is used to compute probabilistic distribution of response. Sensitivities of fatigue life reliability to uncertainties in the primitive random variables (e.g., constituent properties, fiber volume ratio, void volume ratio, ply thickness, etc.) computed and their significance in the reliability-based design for maximum life is discussed. The effect of variation in the thermal cyclic loads on the fatigue reliability for a (0/+/-45/90)s graphite/epoxy laminate with a ply thickness of 0.127 mm, with respect to impending failure modes has been studied. The results show that, at low mechanical-cyclic loads and low thermal-cyclic amplitudes, fatigue life for 0.999 reliability is most sensitive to matrix compressive strength, matrix modulus, thermal expansion coefficient, and ply thickness. Whereas at high mechanical-cyclic loads and high thermal-cyclic amplitudes, fatigue life at 0.999 reliability is more sensitive to the shear strength of matrix, longitudinal fiber modulus, matrix modulus, and ply thickness.

Probabilistic Simulation for Combined Cycle Fatigue in Composites

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

2010-01-01

A methodology to compute probabilistic fatigue life of polymer matrix laminated composites has been developed and demonstrated. Matrix degradation effects caused by long term environmental exposure and mechanical/thermal cyclic loads are accounted for in the simulation process. A unified time-temperature-stress dependent multifactor interaction relationship developed at NASA Glenn Research Center has been used to model the degradation/aging of material properties due to cyclic loads. The fast probability integration method is used to compute probabilistic distribution of response. Sensitivities of fatigue life reliability to uncertainties in the primitive random variables (e.g., constituent properties, fiber volume ratio, void volume ratio, ply thickness, etc.) computed and their significance in the reliability-based design for maximum life is discussed. The effect of variation in the thermal cyclic loads on the fatigue reliability for a (0/+/- 45/90)s graphite/epoxy laminate with a ply thickness of 0.127 mm, with respect to impending failure modes has been studied. The results show that, at low mechanical cyclic loads and low thermal cyclic amplitudes, fatigue life for 0.999 reliability is most sensitive to matrix compressive strength, matrix modulus, thermal expansion coefficient, and ply thickness. Whereas at high mechanical cyclic loads and high thermal cyclic amplitudes, fatigue life at 0.999 reliability is more sensitive to the shear strength of matrix, longitudinal fiber modulus, matrix modulus, and ply thickness.

Probabilistic Simulation of Combined Thermo-Mechanical Cyclic Fatigue in Composites

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

2010-01-01

A methodology to compute probabilistically-combined thermo-mechanical fatigue life of polymer matrix laminated composites has been developed and is demonstrated. Matrix degradation effects caused by long-term environmental exposure and mechanical/thermal cyclic loads are accounted for in the simulation process. A unified time-temperature-stress-dependent multifactor-interaction relationship developed at NASA Glenn Research Center has been used to model the degradation/aging of material properties due to cyclic loads. The fast probability-integration method is used to compute probabilistic distribution of response. Sensitivities of fatigue life reliability to uncertainties in the primitive random variables (e.g., constituent properties, fiber volume ratio, void volume ratio, ply thickness, etc.) computed and their significance in the reliability-based design for maximum life is discussed. The effect of variation in the thermal cyclic loads on the fatigue reliability for a (0/+/-45/90)s graphite/epoxy laminate with a ply thickness of 0.127 mm, with respect to impending failure modes has been studied. The results show that, at low mechanical-cyclic loads and low thermal-cyclic amplitudes, fatigue life for 0.999 reliability is most sensitive to matrix compressive strength, matrix modulus, thermal expansion coefficient, and ply thickness. Whereas at high mechanical-cyclic loads and high thermal-cyclic amplitudes, fatigue life at 0.999 reliability is more sensitive to the shear strength of matrix, longitudinal fiber modulus, matrix modulus, and ply thickness.

Validation of the thermal code of RadTherm-IR, IR-Workbench, and F-TOM

NASA Astrophysics Data System (ADS)

Schwenger, Frédéric; Grossmann, Peter; Malaplate, Alain

2009-05-01

System assessment by image simulation requires synthetic scenarios that can be viewed by the device to be simulated. In addition to physical modeling of the camera, a reliable modeling of scene elements is necessary. Software products for modeling of target data in the IR should be capable of (i) predicting surface temperatures of scene elements over a long period of time and (ii) computing sensor views of the scenario. For such applications, FGAN-FOM acquired the software products RadTherm-IR (ThermoAnalytics Inc., Calumet, USA; IR-Workbench (OKTAL-SE, Toulouse, France). Inspection of the accuracy of simulation results by validation is necessary before using these products for applications. In the first step of validation, the performance of both "thermal solvers" was determined through comparison of the computed diurnal surface temperatures of a simple object with the corresponding values from measurements. CUBI is a rather simple geometric object with well known material parameters which makes it suitable for testing and validating object models in IR. It was used in this study as a test body. Comparison of calculated and measured surface temperature values will be presented, together with the results from the FGAN-FOM thermal object code F-TOM. In the second validation step, radiances of the simulated sensor views computed by RadTherm-IR and IR-Workbench will be compared with radiances retrieved from the recorded sensor images taken by the sensor that was simulated. Strengths and weaknesses of the models RadTherm-IR, IR-Workbench and F-TOM will be discussed.

Design of a Nanoscale, CMOS-Integrable, Thermal-Guiding Structure for Boolean-Logic and Neuromorphic Computation.

PubMed

Loke, Desmond; Skelton, Jonathan M; Chong, Tow-Chong; Elliott, Stephen R

2016-12-21

One of the requirements for achieving faster CMOS electronics is to mitigate the unacceptably large chip areas required to steer heat away from or, more recently, toward the critical nodes of state-of-the-art devices. Thermal-guiding (TG) structures can efficiently direct heat by "meta-materials" engineering; however, some key aspects of the behavior of these systems are not fully understood. Here, we demonstrate control of the thermal-diffusion properties of TG structures by using nanometer-scale, CMOS-integrable, graphene-on-silica stacked materials through finite-element-methods simulations. It has been shown that it is possible to implement novel, controllable, thermally based Boolean-logic and spike-timing-dependent plasticity operations for advanced (neuromorphic) computing applications using such thermal-guide architectures.

Experimental validation and model development for thermal transmittances of porous window screens and horizontal louvred blind systems

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

Hart, Robert; Goudey, Howdy; Curcija, D. Charlie

Virtually every home in the US has some form of shades, blinds, drapes, or other window attachment, but few have been designed for energy savings. In order to provide a common basis of comparison for thermal performance it is important to have validated simulation tools. This study outlines a review and validation of the ISO 15099 centre-of-glass thermal transmittance correlations for naturally ventilated cavities through measurement and detailed simulations. The focus is on the impacts of room-side ventilated cavities, such as those found with solar screens and horizontal louvred blinds. The thermal transmittance of these systems is measured experimentally, simulatedmore » using computational fluid dynamics analysis, and simulated utilizing simplified correlations from ISO 15099. Finally, correlation coefficients are proposed for the ISO 15099 algorithm that reduces the mean error between measured and simulated heat flux for typical solar screens from 16% to 3.5% and from 13% to 1% for horizontal blinds.« less

Experimental validation and model development for thermal transmittances of porous window screens and horizontal louvred blind systems

DOE PAGES

Hart, Robert; Goudey, Howdy; Curcija, D. Charlie

2017-05-16

Virtually every home in the US has some form of shades, blinds, drapes, or other window attachment, but few have been designed for energy savings. In order to provide a common basis of comparison for thermal performance it is important to have validated simulation tools. This study outlines a review and validation of the ISO 15099 centre-of-glass thermal transmittance correlations for naturally ventilated cavities through measurement and detailed simulations. The focus is on the impacts of room-side ventilated cavities, such as those found with solar screens and horizontal louvred blinds. The thermal transmittance of these systems is measured experimentally, simulatedmore » using computational fluid dynamics analysis, and simulated utilizing simplified correlations from ISO 15099. Finally, correlation coefficients are proposed for the ISO 15099 algorithm that reduces the mean error between measured and simulated heat flux for typical solar screens from 16% to 3.5% and from 13% to 1% for horizontal blinds.« less

Simulation of thermal transpiration flow using a high-order moment method

NASA Astrophysics Data System (ADS)

Sheng, Qiang; Tang, Gui-Hua; Gu, Xiao-Jun; Emerson, David R.; Zhang, Yong-Hao

2014-04-01

Nonequilibrium thermal transpiration flow is numerically analyzed by an extended thermodynamic approach, a high-order moment method. The captured velocity profiles of temperature-driven flow in a parallel microchannel and in a micro-chamber are compared with available kinetic data or direct simulation Monte Carlo (DSMC) results. The advantages of the high-order moment method are shown as a combination of more accuracy than the Navier-Stokes-Fourier (NSF) equations and less computation cost than the DSMC method. In addition, the high-order moment method is also employed to simulate the thermal transpiration flow in complex geometries in two types of Knudsen pumps. One is based on micro-mechanized channels, where the effect of different wall temperature distributions on thermal transpiration flow is studied. The other relies on porous structures, where the variation of flow rate with a changing porosity or pore surface area ratio is investigated. These simulations can help to optimize the design of a real Knudsen pump.

Confirmation of a realistic reactor model for BNCT dosimetry at the TRIGA Mainz

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

Ziegner, Markus, E-mail: Markus.Ziegner.fl@ait.ac.at; Schmitz, Tobias; Hampel, Gabriele

2014-11-01

Purpose: In order to build up a reliable dose monitoring system for boron neutron capture therapy (BNCT) applications at the TRIGA reactor in Mainz, a computer model for the entire reactor was established, simulating the radiation field by means of the Monte Carlo method. The impact of different source definition techniques was compared and the model was validated by experimental fluence and dose determinations. Methods: The depletion calculation code ORIGEN2 was used to compute the burn-up and relevant material composition of each burned fuel element from the day of first reactor operation to its current core. The material composition ofmore » the current core was used in a MCNP5 model of the initial core developed earlier. To perform calculations for the region outside the reactor core, the model was expanded to include the thermal column and compared with the previously established ATTILA model. Subsequently, the computational model is simplified in order to reduce the calculation time. Both simulation models are validated by experiments with different setups using alanine dosimetry and gold activation measurements with two different types of phantoms. Results: The MCNP5 simulated neutron spectrum and source strength are found to be in good agreement with the previous ATTILA model whereas the photon production is much lower. Both MCNP5 simulation models predict all experimental dose values with an accuracy of about 5%. The simulations reveal that a Teflon environment favorably reduces the gamma dose component as compared to a polymethyl methacrylate phantom. Conclusions: A computer model for BNCT dosimetry was established, allowing the prediction of dosimetric quantities without further calibration and within a reasonable computation time for clinical applications. The good agreement between the MCNP5 simulations and experiments demonstrates that the ATTILA model overestimates the gamma dose contribution. The detailed model can be used for the planning of structural modifications in the thermal column irradiation channel or the use of different irradiation sites than the thermal column, e.g., the beam tubes.« less

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

A model of heat transfer in immersed man

NASA Technical Reports Server (NTRS)

Montgomery, L. D.

1974-01-01

An equation representing man's thermal balance under water is considered. The equation states that the body thermal loading from metabolic heat production and artificial heat input must be offset by respiratory and environmental heat exchange to maintain a constant body temperature. Critical body regions are affected by cold-water thermal stress. A model of the thermoregulatory system may be divided into the physical-controlled system and the dynamic controlling system. The thermal model is simulated by computer programs.

Interactive Heat Transfer Simulations for Everyone

ERIC Educational Resources Information Center

Xie, Charles

2012-01-01

Heat transfer is widely taught in secondary Earth science and physics. Researchers have identified many misconceptions related to heat and temperature. These misconceptions primarily stem from hunches developed in everyday life (though the confusions in terminology often worsen them). Interactive computer simulations that visualize thermal energy,…

FAST SIMULATION OF SOLID TUMORS THERMAL ABLATION TREATMENTS WITH A 3D REACTION DIFFUSION MODEL *

PubMed Central

BERTACCINI, DANIELE; CALVETTI, DANIELA

2007-01-01

An efficient computational method for near real-time simulation of thermal ablation of tumors via radio frequencies is proposed. Model simulations of the temperature field in a 3D portion of tissue containing the tumoral mass for different patterns of source heating can be used to design the ablation procedure. The availability of a very efficient computational scheme makes it possible update the predicted outcome of the procedure in real time. In the algorithms proposed here a discretization in space of the governing equations is followed by an adaptive time integration based on implicit multistep formulas. A modification of the ode15s MATLAB function which uses Krylov space iterative methods for the solution of for the linear systems arising at each integration step makes it possible to perform the simulations on standard desktop for much finer grids than using the built-in ode15s. The proposed algorithm can be applied to a wide class of nonlinear parabolic differential equations. PMID:17173888

Static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation.

PubMed

Liu, Jun; Zhang, Liqun; Cao, Dapeng; Wang, Wenchuan

2009-12-28

Polymer nanocomposites (PNCs) often exhibit excellent mechanical, thermal, electrical and optical properties, because they combine the performances of both polymers and inorganic or organic nanoparticles. Recently, computer modeling and simulation are playing an important role in exploring the reinforcement mechanism of the PNCs and even the design of functional PNCs. This report provides an overview of the progress made in past decades in the investigation of the static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation. Emphases are placed on exploring the mechanisms at the molecular level for the dispersion of nanoparticles in nanocomposites, the effects of nanoparticles on chain conformation and glass transition temperature (T(g)), as well as viscoelastic and mechanical properties. Finally, some future challenges and opportunities in computer modeling and simulation of PNCs are addressed.

Computer Simulation For Design Of TWT's

NASA Technical Reports Server (NTRS)

Bartos, Karen F.; Fite, E. Brian; Shalkhauser, Kurt A.; Sharp, G. Richard

1992-01-01

A three-dimensional finite-element analytical technique facilitates design and fabrication of traveling-wave-tube (TWT) slow-wave structures. Used to perform thermal and mechanical analyses of TWT designed with variety of configurations, geometries, and materials. Using three-dimensional computer analysis, designer able to simulate building and testing of TWT, with consequent substantial saving of time and money. Technique enables detailed look into operation of traveling-wave tubes to help improve performance for future communications systems.

First principles calculations of thermal conductivity with out of equilibrium molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Puligheddu, Marcello; Gygi, Francois; Galli, Giulia

The prediction of the thermal properties of solids and liquids is central to numerous problems in condensed matter physics and materials science, including the study of thermal management of opto-electronic and energy conversion devices. We present a method to compute the thermal conductivity of solids by performing ab initio molecular dynamics at non equilibrium conditions. Our formulation is based on a generalization of the approach to equilibrium technique, using sinusoidal temperature gradients, and it only requires calculations of first principles trajectories and atomic forces. We discuss results and computational requirements for a representative, simple oxide, MgO, and compare with experiments and data obtained with classical potentials. This work was supported by MICCoM as part of the Computational Materials Science Program funded by the U.S. Department of Energy (DOE), Office of Science , Basic Energy Sciences (BES), Materials Sciences and Engineering Division under Grant DOE/BES 5J-30.

Hyperbolic heat conduction problems involving non-Fourier effects - Numerical simulations via explicit Lax-Wendroff/Taylor-Galerkin finite element formulations

NASA Technical Reports Server (NTRS)

Tamma, Kumar K.; Namburu, Raju R.

1989-01-01

Numerical simulations are presented for hyperbolic heat-conduction problems that involve non-Fourier effects, using explicit, Lax-Wendroff/Taylor-Galerkin FEM formulations as the principal computational tool. Also employed are smoothing techniques which stabilize the numerical noise and accurately predict the propagating thermal disturbances. The accurate capture of propagating thermal disturbances at characteristic time-step values is achieved; numerical test cases are presented which validate the proposed hyperbolic heat-conduction problem concepts.

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.

Investigation of mechanical and thermal properties of microwave-sintered lunar simulant materials using 2.45 GHz radiation

NASA Technical Reports Server (NTRS)

Meek, T. T.

1990-01-01

The mechanical and thermal properties of lunar simulant material were investigated. An alternative method of examining thermal shock in microwave-sintered lunar samples was researched. A computer code was developed that models how the fracture toughness of a thermally shocked lunar simulant sample is related to the sample hardness as measured by a micro-hardness indentor apparatus. This technique enables much data to be gathered from a few samples. Several samples were sintered at different temperatures and for different times at the temperatures. The melting and recrystallization characteristics of a well-studied binary system were also investigated to see if the thermodynamic barrier for the nucleation of a crystalline phase may be affected by the presence of a microwave field. The system chosen was the albite (sodium alumino silicate) anorthite system (calcium alumino silicate). The results of these investigations are presented.

Determination of Thermal State of Charge in Solar Heat Receivers

NASA Technical Reports Server (NTRS)

Glakpe, E. K.; Cannon, J. N.; Hall, C. A., III; Grimmett, I. W.

1996-01-01

The research project at Howard University seeks to develop analytical and numerical capabilities to study heat transfer and fluid flow characteristics, and the prediction of the performance of solar heat receivers for space applications. Specifically, the study seeks to elucidate the effects of internal and external thermal radiation, geometrical and applicable dimensionless parameters on the overall heat transfer in space solar heat receivers. Over the last year, a procedure for the characterization of the state-of-charge (SOC) in solar heat receivers for space applications has been developed. By identifying the various factors that affect the SOC, a dimensional analysis is performed resulting in a number of dimensionless groups of parameters. Although not accomplished during the first phase of the research, data generated from a thermal simulation program can be used to determine values of the dimensionless parameters and the state-of-charge and thereby obtain a correlation for the SOC. The simulation program selected for the purpose is HOTTube, a thermal numerical computer code based on a transient time-explicit, axisymmetric model of the total solar heat receiver. Simulation results obtained with the computer program are presented the minimum and maximum insolation orbits. In the absence of any validation of the code with experimental data, results from HOTTube appear reasonable qualitatively in representing the physical situations modeled.

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

Development of a thermal storage module using modified anhydrous sodium hydroxide

NASA Technical Reports Server (NTRS)

Rice, R. E.; Rowny, P. E.

1980-01-01

The laboratory scale testing of a modified anhydrous NaOH latent heat storage concept for small solar thermal power systems such as total energy systems utilizing organic Rankine systems is discussed. A diagnostic test on the thermal energy storage module and an investigation of alternative heat transfer fluids and heat exchange concepts are specifically addressed. A previously developed computer simulation model is modified to predict the performance of the module in a solar total energy system environment. In addition, the computer model is expanded to investigate parametrically the incorporation of a second heat exchange inside the module which will vaporize and superheat the Rankine cycle power fluid.

Effective Energy Simulation and Optimal Design of Side-lit Buildings with Venetian Blinds

NASA Astrophysics Data System (ADS)

Cheng, Tian

Venetian blinds are popularly used in buildings to control the amount of incoming daylight for improving visual comfort and reducing heat gains in air-conditioning systems. Studies have shown that the proper design and operation of window systems could result in significant energy savings in both lighting and cooling. However, there is no convenient computer tool that allows effective and efficient optimization of the envelope of side-lit buildings with blinds now. Three computer tools, Adeline, DOE2 and EnergyPlus widely used for the above-mentioned purpose have been experimentally examined in this study. Results indicate that the two former tools give unacceptable accuracy due to unrealistic assumptions adopted while the last one may generate large errors in certain conditions. Moreover, current computer tools have to conduct hourly energy simulations, which are not necessary for life-cycle energy analysis and optimal design, to provide annual cooling loads. This is not computationally efficient, particularly not suitable for optimal designing a building at initial stage because the impacts of many design variations and optional features have to be evaluated. A methodology is therefore developed for efficient and effective thermal and daylighting simulations and optimal design of buildings with blinds. Based on geometric optics and radiosity method, a mathematical model is developed to reasonably simulate the daylighting behaviors of venetian blinds. Indoor illuminance at any reference point can be directly and efficiently computed. They have been validated with both experiments and simulations with Radiance. Validation results show that indoor illuminances computed by the new models agree well with the measured data, and the accuracy provided by them is equivalent to that of Radiance. The computational efficiency of the new models is much higher than that of Radiance as well as EnergyPlus. Two new methods are developed for the thermal simulation of buildings. A fast Fourier transform (FFT) method is presented to avoid the root-searching process in the inverse Laplace transform of multilayered walls. Generalized explicit FFT formulae for calculating the discrete Fourier transform (DFT) are developed for the first time. They can largely facilitate the implementation of FFT. The new method also provides a basis for generating the symbolic response factors. Validation simulations show that it can generate the response factors as accurate as the analytical solutions. The second method is for direct estimation of annual or seasonal cooling loads without the need for tedious hourly energy simulations. It is validated by hourly simulation results with DOE2. Then symbolic long-term cooling load can be created by combining the two methods with thermal network analysis. The symbolic long-term cooling load can keep the design parameters of interest as symbols, which is particularly useful for the optimal design and sensitivity analysis. The methodology is applied to an office building in Hong Kong for the optimal design of building envelope. Design variables such as window-to-wall ratio, building orientation, and glazing optical and thermal properties are included in the study. Results show that the selected design values could significantly impact the energy performance of windows, and the optimal design of side-lit buildings could greatly enhance energy savings. The application example also demonstrates that the developed methodology significantly facilitates the optimal building design and sensitivity analysis, and leads to high computational efficiency.

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.

Particle-Based Simulations of Microscopic Thermal Properties of Confined Systems

DTIC Science & Technology

2014-11-01

velocity versus electric field in gallium arsenide (GaAs) computed with the original CMC table structure (squares) at temperature T=150K, and the new...computer-aided design Cellular Monte Carlo Ensemble Monte Carlo gallium arsenide Heat Transport Equation DARPA Defense Advanced Research Projects

A Reduced Order Model for Whole-Chip Thermal Analysis of Microfluidic Lab-on-a-Chip Systems

PubMed Central

Wang, Yi; Song, Hongjun; Pant, Kapil

2013-01-01

This paper presents a Krylov subspace projection-based Reduced Order Model (ROM) for whole microfluidic chip thermal analysis, including conjugate heat transfer. Two key steps in the reduced order modeling procedure are described in detail, including (1) the acquisition of a 3D full-scale computational model in the state-space form to capture the dynamic thermal behavior of the entire microfluidic chip; and (2) the model order reduction using the Block Arnoldi algorithm to markedly lower the dimension of the full-scale model. Case studies using practically relevant thermal microfluidic chip are undertaken to establish the capability and to evaluate the computational performance of the reduced order modeling technique. The ROM is compared against the full-scale model and exhibits good agreement in spatiotemporal thermal profiles (<0.5% relative error in pertinent time scales) and over three orders-of-magnitude acceleration in computational speed. The salient model reusability and real-time simulation capability renders it amenable for operational optimization and in-line thermal control and management of microfluidic systems and devices. PMID:24443647

Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Murthy, Pappu L.; Bednarcyk, Brett A.; Lawson, John W.; Monk, Joshua D.; Bauschlicher, Charles W., Jr.

2016-01-01

Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.

Skylab extravehicular mobility unit thermal simulator

NASA Technical Reports Server (NTRS)

Hixon, C. W.; Phillips, M. A.

1974-01-01

The analytical methods, thermal model, and user's instructions for the Skylab Extravehicular Mobility Unit (SEMU) routine are presented. This digital computer program was developed for detailed thermal performance predictions of the SEMU on the NASA-JSC Univac 1108 computer system. It accounts for conductive, convective, and radiant heat transfer as well as fluid flow and special component characterization. The program provides thermal performance predictions for a 967 node thermal model in one thirty-sixth (1/36) of mission time when operated at a calculating interval of three minutes (mission time). The program has the operational flexibility to: (1) accept card or magnetic tape data input for the thermal model describing the SEMU structure, fluid systems, crewman and component performance, (2) accept card and/or magnetic tape input of internally generated heat and heat influx from the space environment, and (3) output tabular or plotted histories of temperature, flow rates, and other parameters describing system operating modes.

Two-Dimensional Finite Element Ablative Thermal Response Analysis of an Arcjet Stagnation Test

NASA Technical Reports Server (NTRS)

Dec, John A.; Laub, Bernard; Braun, Robert D.

2011-01-01

The finite element ablation and thermal response (FEAtR, hence forth called FEAR) design and analysis program simulates the one, two, or three-dimensional ablation, internal heat conduction, thermal decomposition, and pyrolysis gas flow of thermal protection system materials. As part of a code validation study, two-dimensional axisymmetric results from FEAR are compared to thermal response data obtained from an arc-jet stagnation test in this paper. The results from FEAR are also compared to the two-dimensional axisymmetric computations from the two-dimensional implicit thermal response and ablation program under the same arcjet conditions. The ablating material being used in this arcjet test is phenolic impregnated carbon ablator with an LI-2200 insulator as backup material. The test is performed at the NASA, Ames Research Center Interaction Heating Facility. Spatially distributed computational fluid dynamics solutions for the flow field around the test article are used for the surface boundary conditions.

Heat-transfer optimization of a high-spin thermal battery

NASA Astrophysics Data System (ADS)

Krieger, Frank C.

Recent advancements in thermal battery technology have produced batteries incorporating a fusible material heat reservoir for operating temperature control that operate reliably under the high spin rates often encountered in ordnance applications. Attention is presently given to the heat-transfer optimization of a high-spin thermal battery employing a nonfusible steel heat reservoir, on the basis of a computer code that simulated the effect of an actual fusible material heat reservoir on battery performance. Both heat paper and heat pellet employing thermal battery configurations were considered.

Human cadaver retina model for retinal heating during corneal surgery with a femtosecond laser

NASA Astrophysics Data System (ADS)

Sun, Hui; Fan, Zhongwei; Yun, Jin; Zhao, Tianzhuo; Yan, Ying; Kurtz, Ron M.; Juhasz, Tibor

2014-02-01

Femtosecond lasers are widely used in everyday clinical procedures to perform minimally invasive corneal refractive surgery. The intralase femtosecond laser (AMO Corp. Santa Ana, CA) is a common example of such a laser. In the present study a numerical simulation was developed to quantify the temperature rise in the retina during femtosecond intracorneal surgery. Also, ex-vivo retinal heating due to laser irradiation was measured with an infrared thermal camera (Fluke Corp. Everett, WA) as a validation of the simulation. A computer simulation was developed using Comsol Multiphysics to calculate the temperature rise in the cadaver retina during femtosecond laser corneal surgery. The simulation showed a temperature rise of less than 0.3 degrees for realistic pulse energies for the various repetition rates. Human cadaver retinas were irradiated with a 150 kHz Intralase femtosecond laser and the temperature rise was measured withan infrared thermal camera. Thermal camera measurements are in agreement with the simulation. During routine femtosecond laser corneal surgery with normal clinical parameters, the temperature rise is well beneath the threshold for retina damage. The simulation predictions are in agreement with thermal measurements providing a level of experimental validation.

Experimental investigations, modeling, and analyses of high-temperature devices for space applications: Part 1. Final report, June 1996--December 1998

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

Tournier, J.; El-Genk, M.S.; Huang, L.

1999-01-01

The Institute of Space and Nuclear Power Studies at the University of New Mexico has developed a computer simulation of cylindrical geometry alkali metal thermal-to-electric converter cells using a standard Fortran 77 computer code. The objective and use of this code was to compare the experimental measurements with computer simulations, upgrade the model as appropriate, and conduct investigations of various methods to improve the design and performance of the devices for improved efficiency, durability, and longer operational lifetime. The Institute of Space and Nuclear Power Studies participated in vacuum testing of PX series alkali metal thermal-to-electric converter cells and developedmore » the alkali metal thermal-to-electric converter Performance Evaluation and Analysis Model. This computer model consisted of a sodium pressure loss model, a cell electrochemical and electric model, and a radiation/conduction heat transfer model. The code closely predicted the operation and performance of a wide variety of PX series cells which led to suggestions for improvements to both lifetime and performance. The code provides valuable insight into the operation of the cell, predicts parameters of components within the cell, and is a useful tool for predicting both the transient and steady state performance of systems of cells.« less

Experimental investigations, modeling, and analyses of high-temperature devices for space applications: Part 2. Final report, June 1996--December 1998

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

Tournier, J.; El-Genk, M.S.; Huang, L.

1999-01-01

The Institute of Space and Nuclear Power Studies at the University of New Mexico has developed a computer simulation of cylindrical geometry alkali metal thermal-to-electric converter cells using a standard Fortran 77 computer code. The objective and use of this code was to compare the experimental measurements with computer simulations, upgrade the model as appropriate, and conduct investigations of various methods to improve the design and performance of the devices for improved efficiency, durability, and longer operational lifetime. The Institute of Space and Nuclear Power Studies participated in vacuum testing of PX series alkali metal thermal-to-electric converter cells and developedmore » the alkali metal thermal-to-electric converter Performance Evaluation and Analysis Model. This computer model consisted of a sodium pressure loss model, a cell electrochemical and electric model, and a radiation/conduction heat transfer model. The code closely predicted the operation and performance of a wide variety of PX series cells which led to suggestions for improvements to both lifetime and performance. The code provides valuable insight into the operation of the cell, predicts parameters of components within the cell, and is a useful tool for predicting both the transient and steady state performance of systems of cells.« less

Energy consumption program: A computer model simulating energy loads in buildings

NASA Technical Reports Server (NTRS)

Stoller, F. W.; Lansing, F. L.; Chai, V. W.; Higgins, S.

1978-01-01

The JPL energy consumption computer program developed as a useful tool in the on-going building modification studies in the DSN energy conservation project is described. The program simulates building heating and cooling loads and computes thermal and electric energy consumption and cost. The accuracy of computations are not sacrificed, however, since the results lie within + or - 10 percent margin compared to those read from energy meters. The program is carefully structured to reduce both user's time and running cost by asking minimum information from the user and reducing many internal time-consuming computational loops. Many unique features were added to handle two-level electronics control rooms not found in any other program.

Thermal-hydraulics modeling for prototype testing of the W7-X high heat flux scraper element

DOE PAGES

Clark, Emily; Lumsdaine, Arnold; Boscary, Jean; ...

2017-07-28

The long-pulse operation of the Wendelstein 7-X (W7-X) stellarator experiment is scheduled to begin in 2020. This operational phase will be equipped with water-cooled plasma facing components to allow for longer pulse durations. Certain simulated plasma scenarios have been shown to produce heat fluxes that surpass the technological limits on the edges of the divertor target elements during steady-state operation. In order to reduce the heat load on the target elements, the addition of a “scraper element” (SE) is under investigation. The SE is composed of 24 water-cooled carbon fiber reinforced carbon composite monoblock units. Multiple full-scale prototypes have beenmore » tested in the GLADIS high heat flux test facility. Previous computational studies revealed discrepancies between the simulations and experimental measurements. In this work, single-phase thermal-hydraulics modeling was performed in ANSYS CFX to identify potential causes for such discrepancies. Possible explanations investigated were the effects of a non-uniform thermal contact resistance and a potential misalignment of the monoblock fibers. And while the difference between the experimental and computational results was not resolved by a non-uniform thermal contact resistance, the computational results provided insight into the potential performance of a W7-X monoblock unit. Circumferential temperature distributions highlighted the expected boiling regions of such a unit. Finally, simulations revealed that modest angles of fiber misalignment in the monoblocks result in asymmetries at the unit edges and provide temperature differences similar to the experimental results.« less

Thermal-hydraulics modeling for prototype testing of the W7-X high heat flux scraper element

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

Clark, Emily; Lumsdaine, Arnold; Boscary, Jean

The long-pulse operation of the Wendelstein 7-X (W7-X) stellarator experiment is scheduled to begin in 2020. This operational phase will be equipped with water-cooled plasma facing components to allow for longer pulse durations. Certain simulated plasma scenarios have been shown to produce heat fluxes that surpass the technological limits on the edges of the divertor target elements during steady-state operation. In order to reduce the heat load on the target elements, the addition of a “scraper element” (SE) is under investigation. The SE is composed of 24 water-cooled carbon fiber reinforced carbon composite monoblock units. Multiple full-scale prototypes have beenmore » tested in the GLADIS high heat flux test facility. Previous computational studies revealed discrepancies between the simulations and experimental measurements. In this work, single-phase thermal-hydraulics modeling was performed in ANSYS CFX to identify potential causes for such discrepancies. Possible explanations investigated were the effects of a non-uniform thermal contact resistance and a potential misalignment of the monoblock fibers. And while the difference between the experimental and computational results was not resolved by a non-uniform thermal contact resistance, the computational results provided insight into the potential performance of a W7-X monoblock unit. Circumferential temperature distributions highlighted the expected boiling regions of such a unit. Finally, simulations revealed that modest angles of fiber misalignment in the monoblocks result in asymmetries at the unit edges and provide temperature differences similar to the experimental results.« less

Adaptive Core Simulation Employing Discrete Inverse Theory - Part I: Theory

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

Abdel-Khalik, Hany S.; Turinsky, Paul J.

2005-07-15

Use of adaptive simulation is intended to improve the fidelity and robustness of important core attribute predictions such as core power distribution, thermal margins, and core reactivity. Adaptive simulation utilizes a selected set of past and current reactor measurements of reactor observables, i.e., in-core instrumentation readings, to adapt the simulation in a meaningful way. A meaningful adaption will result in high-fidelity and robust adapted core simulator models. To perform adaption, we propose an inverse theory approach in which the multitudes of input data to core simulators, i.e., reactor physics and thermal-hydraulic data, are to be adjusted to improve agreement withmore » measured observables while keeping core simulator models unadapted. At first glance, devising such adaption for typical core simulators with millions of input and observables data would spawn not only several prohibitive challenges but also numerous disparaging concerns. The challenges include the computational burdens of the sensitivity-type calculations required to construct Jacobian operators for the core simulator models. Also, the computational burdens of the uncertainty-type calculations required to estimate the uncertainty information of core simulator input data present a demanding challenge. The concerns however are mainly related to the reliability of the adjusted input data. The methodologies of adaptive simulation are well established in the literature of data adjustment. We adopt the same general framework for data adjustment; however, we refrain from solving the fundamental adjustment equations in a conventional manner. We demonstrate the use of our so-called Efficient Subspace Methods (ESMs) to overcome the computational and storage burdens associated with the core adaption problem. We illustrate the successful use of ESM-based adaptive techniques for a typical boiling water reactor core simulator adaption problem.« less

Recovery Act. Development and Validation of an Advanced Stimulation Prediction Model for Enhanced Geothermal System

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

Gutierrez, Marte

The research project aims to develop and validate an advanced computer model that can be used in the planning and design of stimulation techniques to create engineered reservoirs for Enhanced Geothermal Systems. The specific objectives of the proposal are to: 1) Develop a true three-dimensional hydro-thermal fracturing simulator that is particularly suited for EGS reservoir creation. 2) Perform laboratory scale model tests of hydraulic fracturing and proppant flow/transport using a polyaxial loading device, and use the laboratory results to test and validate the 3D simulator. 3) Perform discrete element/particulate modeling of proppant transport in hydraulic fractures, and use the resultsmore » to improve understand of proppant flow and transport. 4) Test and validate the 3D hydro-thermal fracturing simulator against case histories of EGS energy production. 5) Develop a plan to commercialize the 3D fracturing and proppant flow/transport simulator. The project is expected to yield several specific results and benefits. Major technical products from the proposal include: 1) A true-3D hydro-thermal fracturing computer code that is particularly suited to EGS, 2) Documented results of scale model tests on hydro-thermal fracturing and fracture propping in an analogue crystalline rock, 3) Documented procedures and results of discrete element/particulate modeling of flow and transport of proppants for EGS applications, and 4) Database of monitoring data, with focus of Acoustic Emissions (AE) from lab scale modeling and field case histories of EGS reservoir creation.« less

Recovery Act. Development and Validation of an Advanced Stimulation Prediction Model for Enhanced Geothermal Systems

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

Gutierrez, Marte

2013-12-31

This research project aims to develop and validate an advanced computer model that can be used in the planning and design of stimulation techniques to create engineered reservoirs for Enhanced Geothermal Systems. The specific objectives of the proposal are to; Develop a true three-dimensional hydro-thermal fracturing simulator that is particularly suited for EGS reservoir creation; Perform laboratory scale model tests of hydraulic fracturing and proppant flow/transport using a polyaxial loading device, and use the laboratory results to test and validate the 3D simulator; Perform discrete element/particulate modeling of proppant transport in hydraulic fractures, and use the results to improve understandmore » of proppant flow and transport; Test and validate the 3D hydro-thermal fracturing simulator against case histories of EGS energy production; and Develop a plan to commercialize the 3D fracturing and proppant flow/transport simulator. The project is expected to yield several specific results and benefits. Major technical products from the proposal include; A true-3D hydro-thermal fracturing computer code that is particularly suited to EGS; Documented results of scale model tests on hydro-thermal fracturing and fracture propping in an analogue crystalline rock; Documented procedures and results of discrete element/particulate modeling of flow and transport of proppants for EGS applications; and Database of monitoring data, with focus of Acoustic Emissions (AE) from lab scale modeling and field case histories of EGS reservoir creation.« less

Computer simulation of liquid metals

NASA Astrophysics Data System (ADS)

Belashchenko, D. K.

2013-12-01

Methods for and the results of the computer simulation of liquid metals are reviewed. Two basic methods, classical molecular dynamics with known interparticle potentials and the ab initio method, are considered. Most attention is given to the simulated results obtained using the embedded atom model (EAM). The thermodynamic, structural, and diffusion properties of liquid metal models under normal and extreme (shock) pressure conditions are considered. Liquid-metal simulated results for the Groups I - IV elements, a number of transition metals, and some binary systems (Fe - C, Fe - S) are examined. Possibilities for the simulation to account for the thermal contribution of delocalized electrons to energy and pressure are considered. Solidification features of supercooled metals are also discussed.

Computer aided analysis, simulation and optimisation of thermal sterilisation processes.

PubMed

Narayanan, C M; Banerjee, Arindam

2013-04-01

Although thermal sterilisation is a widely employed industrial process, little work is reported in the available literature including patents on the mathematical analysis and simulation of these processes. In the present work, software packages have been developed for computer aided optimum design of thermal sterilisation processes. Systems involving steam sparging, jacketed heating/cooling, helical coils submerged in agitated vessels and systems that employ external heat exchangers (double pipe, shell and tube and plate exchangers) have been considered. Both batch and continuous operations have been analysed and simulated. The dependence of del factor on system / operating parameters such as mass or volume of substrate to be sterilised per batch, speed of agitation, helix diameter, substrate to steam ratio, rate of substrate circulation through heat exchanger and that through holding tube have been analysed separately for each mode of sterilisation. Axial dispersion in the holding tube has also been adequately accounted for through an appropriately defined axial dispersion coefficient. The effect of exchanger characteristics/specifications on the system performance has also been analysed. The multiparameter computer aided design (CAD) software packages prepared are thus highly versatile in nature and they permit to make the most optimum choice of operating variables for the processes selected. The computed results have been compared with extensive data collected from a number of industries (distilleries, food processing and pharmaceutical industries) and pilot plants and satisfactory agreement has been observed between the two, thereby ascertaining the accuracy of the CAD softwares developed. No simplifying assumptions have been made during the analysis and the design of associated heating / cooling equipment has been performed utilising the most updated design correlations and computer softwares.

Ensemble Sampling vs. Time Sampling in Molecular Dynamics Simulations of Thermal Conductivity

DOE PAGES

Gordiz, Kiarash; Singh, David J.; Henry, Asegun

2015-01-29

In this report we compare time sampling and ensemble averaging as two different methods available for phase space sampling. For the comparison, we calculate thermal conductivities of solid argon and silicon structures, using equilibrium molecular dynamics. We introduce two different schemes for the ensemble averaging approach, and show that both can reduce the total simulation time as compared to time averaging. It is also found that velocity rescaling is an efficient mechanism for phase space exploration. Although our methodology is tested using classical molecular dynamics, the ensemble generation approaches may find their greatest utility in computationally expensive simulations such asmore » first principles molecular dynamics. For such simulations, where each time step is costly, time sampling can require long simulation times because each time step must be evaluated sequentially and therefore phase space averaging is achieved through sequential operations. On the other hand, with ensemble averaging, phase space sampling can be achieved through parallel operations, since each ensemble is independent. For this reason, particularly when using massively parallel architectures, ensemble sampling can result in much shorter simulation times and exhibits similar overall computational effort.« less

Integrated Thermal Response Tool for Earth Entry Vehicles

NASA Technical Reports Server (NTRS)

Chen, Y.-K.; Milos, F. S.; Partridge, Harry (Technical Monitor)

2001-01-01

A system is presented for multi-dimensional, fully-coupled thermal response modeling of hypersonic entry vehicles. The system consists of a two-dimensional implicit thermal response, pyrolysis and ablation program (TITAN), a commercial finite-element thermal and mechanical analysis code (MARC), and a high fidelity Navier-Stokes equation solver (GIANTS). The simulations performed by this integrated system include hypersonic flow-field, fluid and solid interaction, ablation, shape change, pyrolysis gas generation and flow, and thermal response of heatshield and structure. The thermal response of the ablating and charring heatshield material 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 both the heatshield and the structure can be obtained simultaneously. Representative computations for a proposed blunt body earth entry vehicle are presented and discussed in detail.

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.

Physics of epi-thermal boron neutron capture therapy (epi-thermal BNCT).

PubMed

Seki, Ryoichi; Wakisaka, Yushi; Morimoto, Nami; Takashina, Masaaki; Koizumi, Masahiko; Toki, Hiroshi; Fukuda, Mitsuhiro

2017-12-01

The physics of epi-thermal neutrons in the human body is discussed in the effort to clarify the nature of the unique radiologic properties of boron neutron capture therapy (BNCT). This discussion leads to the computational method of Monte Carlo simulation in BNCT. The method is discussed through two examples based on model phantoms. The physics is kept at an introductory level in the discussion in this tutorial review.

Advanced Aerospace Materials by Design

NASA Technical Reports Server (NTRS)

Srivastava, Deepak; Djomehri, Jahed; Wei, Chen-Yu

2004-01-01

The advances in the emerging field of nanophase thermal and structural composite materials; materials with embedded sensors and actuators for morphing structures; light-weight composite materials for energy and power storage; and large surface area materials for in-situ resource generation and waste recycling, are expected to :revolutionize the capabilities of virtually every system comprising of future robotic and :human moon and mars exploration missions. A high-performance multiscale simulation platform, including the computational capabilities and resources of Columbia - the new supercomputer, is being developed to discover, validate, and prototype next generation (of such advanced materials. This exhibit will describe the porting and scaling of multiscale 'physics based core computer simulation codes for discovering and designing carbon nanotube-polymer composite materials for light-weight load bearing structural and 'thermal protection applications.

First-principles studies on the equation-of-state, thermal-conductivity, and opacity of deuterium-tritium and polystyrene (CH) for inertial confinement fusion applications

DOE PAGES

Hu, Suxing; Collins, Lee A.; Goncharov, V. N.; ...

2016-05-26

Using first-principles (FP) methods, we have performed ab initio compute for the equation of state (EOS), thermal conductivity, and opacity of deuterium-tritium (DT) in a wide range of densities and temperatures for inertial confinement fusion (ICF) applications. These systematic investigations have recently been expanded to accurately compute the plasma properties of CH ablators under extreme conditions. In particular, the first-principles EOS and thermal-conductivity tables of CH are self-consistently built from such FP calculations, which are benchmarked by experimental measurements. When compared with the traditional models used for these plasma properties in hydrocodes, significant differences have been identified in the warmmore » dense plasma regime. When these FP-calculated properties of DT and CH were used in our hydrodynamic simulations of ICF implosions, we found that the target performance in terms of neutron yield and energy gain can vary by a factor of 2 to 3, relative to traditional model simulations.« less

Delineating the role of ripples on the thermal expansion of 2D honeycomb materials: graphene, 2D h-BN and monolayer (ML)-MoS2.

PubMed

Anees, P; Valsakumar, M C; Panigrahi, B K

2017-04-19

We delineated the role of thermally excited ripples on the thermal expansion properties of 2D honeycomb materials (free-standing graphene, 2D h-BN, and ML-MoS 2 ), by explicitly carrying out three-dimensional (3D) and two-dimensional (2D) molecular dynamics simulations. In 3D simulations, the in-plane lattice parameter (a-lattice) of graphene and 2D h-BN shows thermal contraction over a wide range of temperatures and exhibits a strong system size dependence. The 2D simulations of the very same system show a reverse trend, where the a-lattice expands in the whole computed temperature range. In contrast to graphene and 2D h-BN, the a-lattice of ML-MoS 2 shows thermal expansion in both 2D and 3D simulations and their system size dependence is marginal. By analyzing the phonon dispersion at 300 K, we found that the discrepancy between 2D and 3D simulations of graphene and 2D h-BN is due to the absence of out-of-plane bending modes (ZA) in 2D simulations, which is responsible for the thermal contraction of the a-lattice at low temperature. Meanwhile, all the phonon modes are present in the 2D phonon dispersion of ML-MoS 2 , which indicates that the origin of the ZA mode is not purely due to the out-of-plane movement of atoms and also its effect on thermal expansion is not significant as found in graphene and 2D h-BN.

Simulation of Fatigue Behavior of High Temperature Metal Matrix Composites

NASA Technical Reports Server (NTRS)

Tong, Mike T.; Singhal, Suren N.; Chamis, Christos C.; Murthy, Pappu L. N.

1996-01-01

A generalized relatively new approach is described for the computational simulation of fatigue behavior of high temperature metal matrix composites (HT-MMCs). This theory is embedded in a specialty-purpose computer code. The effectiveness of the computer code to predict the fatigue behavior of HT-MMCs is demonstrated by applying it to a silicon-fiber/titanium-matrix HT-MMC. Comparative results are shown for mechanical fatigue, thermal fatigue, thermomechanical (in-phase and out-of-phase) fatigue, as well as the effects of oxidizing environments on fatigue life. These results show that the new approach reproduces available experimental data remarkably well.

Interior thermal insulation systems for historical building envelopes

NASA Astrophysics Data System (ADS)

Jerman, Miloš; Solař, Miloš; Černý, Robert

2017-11-01

The design specifics of interior thermal insulation systems applied for historical building envelopes are described. The vapor-tight systems and systems based on capillary thermal insulation materials are taken into account as two basic options differing in building-physical considerations. The possibilities of hygrothermal analysis of renovated historical envelopes including laboratory methods, computer simulation techniques, and in-situ tests are discussed. It is concluded that the application of computational models for hygrothermal assessment of interior thermal insulation systems should always be performed with a particular care. On one hand, they present a very effective tool for both service life assessment and possible planning of subsequent reconstructions. On the other, the hygrothermal analysis of any historical building can involve quite a few potential uncertainties which may affect negatively the accuracy of obtained results.

Computational logic with square rings of nanomagnets

NASA Astrophysics Data System (ADS)

Arava, Hanu; Derlet, Peter M.; Vijayakumar, Jaianth; Cui, Jizhai; Bingham, Nicholas S.; Kleibert, Armin; Heyderman, Laura J.

2018-06-01

Nanomagnets are a promising low-power alternative to traditional computing. However, the successful implementation of nanomagnets in logic gates has been hindered so far by a lack of reliability. Here, we present a novel design with dipolar-coupled nanomagnets arranged on a square lattice to (i) support transfer of information and (ii) perform logic operations. We introduce a thermal protocol, using thermally active nanomagnets as a means to perform computation. Within this scheme, the nanomagnets are initialized by a global magnetic field and thermally relax on raising the temperature with a resistive heater. We demonstrate error-free transfer of information in chains of up to 19 square rings and we show a high level of reliability with successful gate operations of ∼94% across more than 2000 logic gates. Finally, we present a functionally complete prototype NAND/NOR logic gate that could be implemented for advanced logic operations. Here we support our experiments with simulations of the thermally averaged output and determine the optimal gate parameters. Our approach provides a new pathway to a long standing problem concerning reliability in the use of nanomagnets for computation.

Simulation of electrical and thermal fields in a multimode microwave oven using software written in C++

NASA Astrophysics Data System (ADS)

Abrudean, C.

2017-05-01

Due to multiple reflexions on walls, the electromagnetic field in a multimode microwave oven is difficult to estimate analytically. This paper presents a C++ program that calculates the electromagnetic field in a resonating cavity with an absorbing payload, uses the result to calculate heating in the payload taking its properties into account and then repeats. This results in a simulation of microwave heating, including phenomena like thermal runaway. The program is multithreaded to make use of today’s common multiprocessor/multicore computers.

Transient thermal modeling of the nonscanning ERBE detector

NASA Technical Reports Server (NTRS)

Mahan, J. R.

1983-01-01

A numerical model to predict the transient thermal response of the ERBE nonscanning wide field of view total radiometer channel was developed. The model, which uses Monte Carlo techniques to characterize the radiative component of heat transfer, is described and a listing of the computer program is provided. Application of the model to simulate the actual blackbody calibration procedure is discussed. The use of the model to establish a real time flight data interpretation strategy is recommended. Modification of the model to include a simulated Earth radiation source field and a filter dome is indicated.

Computer Aided Battery Engineering Consortium

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

Pesaran, Ahmad

A multi-national lab collaborative team was assembled that includes experts from academia and industry to enhance recently developed Computer-Aided Battery Engineering for Electric Drive Vehicles (CAEBAT)-II battery crush modeling tools and to develop microstructure models for electrode design - both computationally efficient. Task 1. The new Multi-Scale Multi-Domain model framework (GH-MSMD) provides 100x to 1,000x computation speed-up in battery electrochemical/thermal simulation while retaining modularity of particles and electrode-, cell-, and pack-level domains. The increased speed enables direct use of the full model in parameter identification. Task 2. Mechanical-electrochemical-thermal (MECT) models for mechanical abuse simulation were simultaneously coupled, enabling simultaneous modelingmore » of electrochemical reactions during the short circuit, when necessary. The interactions between mechanical failure and battery cell performance were studied, and the flexibility of the model for various batteries structures and loading conditions was improved. Model validation is ongoing to compare with test data from Sandia National Laboratories. The ABDT tool was established in ANSYS. Task 3. Microstructural modeling was conducted to enhance next-generation electrode designs. This 3- year project will validate models for a variety of electrodes, complementing Advanced Battery Research programs. Prototype tools have been developed for electrochemical simulation and geometric reconstruction.« less

Computational modeling and simulation study of electronic and thermal properties in semiconductor nanostructures

NASA Astrophysics Data System (ADS)

Paul, Abhijeet

2011-07-01

The technological progress in dimensional scaling has not only kept Silicon CMOS industry on Moore's law for the past five decades but has also benefited many other areas such as thermoelectricity, photo-voltaics, and energy storage. Extending CMOS beyond Si (More Moore, MM) and adding functional diversity to CMOS (More Than Moore, MTM) requires a thorough understanding of the basic electron and heat flow in semiconductors. Along with experiments computer modeling and simulation are playing an increasingly vital role in exploring the numerous possibilities in materials, devices and systems. With these aspects in mind the present work applies computational physics modeling and simulations to explore the, (i) electronic, (ii) thermal, and (iii) thermoelectric properties in nano-scale semiconductors. The electronic structure of zinc-blende and lead-chalcogenide nano-materials is calculated using an atomistic Tight-Binding model. The phonon dispersion in zinc-blende materials is obtained using the Modified Valence Force Field model. Electronic and thermal transport at the nano-scale is explored using Green's function method and Landauer's method. Thermoelectric properties of semiconductor nanostructures are calculated using Landauer's method. Using computer modeling and simulations the variation of the three physical properties (i-iii) are explored with varying size, transport orientation, shape, porosity, strain and alloying of nanostructures. The key findings are, (a) III-Vs and Ge with optimized strain and orientation can improve transistors' and thermoelectric performance, (b) porous Si nanowires provide a lucrative idea for enhancing the thermoelectric efficiency at room temperature, and (c) Si/Ge superlattice nanowires can be used for nano-scale tuning of lattice thermal conductivity by period control. The present work led to the development of two new interface trap density extraction methods in ultra-scaled FinFETs and correlation of the phonon shifts in Si nanowires to their shape, size and orientation benchmarked against experimental Raman spectroscopy data, thereby enabling nano-scale metrology. Contribution of two research and six educational tools on nanoHUB.org forms an integral part of the work for global dissemination of semiconductor knowledge. Atomic level manipulation holds the key to engineer material properties at the nano-scale. The findings of this work will hopefully open and guide new ways of engineering the electronic and thermal properties for better performance.

Analysis of the possibilities and limits of the Moldflow method

NASA Astrophysics Data System (ADS)

Brierre, M.

1982-01-01

The Moldflow information and computation service is presented. Moldflow is a computer program and data bank available as a computer aid to dimensioning thermoplastic injection molding equipment and processes. It is based on the simultaneous solution of thermal and rheological equations and is intended to completely simulate the injection process. The Moldflow system is described and algorithms are discussed, based on Moldflow listings.

Study on Thermal Conductivity of Personal Computer Aluminum-Magnesium Alloy Casing

NASA Astrophysics Data System (ADS)

Liao, MeiHong

With the rapid development of computer technology, micro-state atoms by simulating the movement of material to analyze the nature of the macro-state have become an important subject. Materials, especially aluminium-magnesium alloy materials, often used in personal computer case, this article puts forward heat conduction model of the material, and numerical methods of heat transfer performance of the material.

Simulating the Gradually Deteriorating Performance of an RTG

NASA Technical Reports Server (NTRS)

Wood, Eric G.; Ewell, Richard C.; Patel, Jagdish; Hanks, David R.; Lozano, Juan A.; Snyder, G. Jeffrey; Noon, Larry

2008-01-01

Degra (now in version 3) is a computer program that simulates the performance of a radioisotope thermoelectric generator (RTG) over its lifetime. Degra is provided with a graphical user interface that is used to edit input parameters that describe the initial state of the RTG and the time-varying loads and environment to which it will be exposed. Performance is computed by modeling the flows of heat from the radioactive source and through the thermocouples, also allowing for losses, to determine the temperature drop across the thermocouples. This temperature drop is used to determine the open-circuit voltage, electrical resistance, and thermal conductance of the thermocouples. Output power can then be computed by relating the open-circuit voltage and the electrical resistance of the thermocouples to a specified time-varying load voltage. Degra accounts for the gradual deterioration of performance attributable primarily to decay of the radioactive source and secondarily to gradual deterioration of the thermoelectric material. To provide guidance to an RTG designer, given a minimum of input, Degra computes the dimensions, masses, and thermal conductances of important internal structures as well as the overall external dimensions and total mass.

Acoustic hemostasis of porcine superficial femoral artery: Simulation and in-vivo experimental studies

NASA Astrophysics Data System (ADS)

Zeng, Xiaozheng; Mitchell, Stuart; Miller, Matthew; Barnes, Stephen; Hopple, Jerry; Kook, John; Moreau-Gobard, Romain; Hsu, Stephen; Ahiekpor-Dravi, Alexis; Crum, Lawrence A.; Eaton, John; Wong, Keith; Sekins, K. Michael

2012-10-01

In-vivo focused ultrasound studies were computationally simulated and conducted experimentally with the aim of occluding porcine superficial femoral arteries (SFA) via thermal coagulation. A multi-array HIFU applicator was used which electronically scanned multiple beam foci around the target point. The spatio-temporally averaged acoustic and temperature fields were simulated in a fluid dynamics and acousto-thermal finite element model with representative tissue fields, including muscle, vessel and blood. Simulations showed that with an acoustic power of 200W and a dose time of 60s, perivascular tissue reached 91°C; and yet blood reached a maximum 59°C, below the coagulation objective for this dose regime (75°C). Per simulations, acoustic-streaming induced velocity in blood reached 6.1cm/s. In in-vivo experiments, several arteries were treated. As simulated, thermal lesions were observed in muscle surrounding SFA in all cases. In dosing limited to 30 to 60 seconds, it required 257W to provide occlusion (one complete and one partial occlusion). Angiography and histology showed evidence of thrombogenesis and collagen shrinkage-based vessel constriction at these doses.

Application of classical simulations for the computation of vibrational properties of free molecules.

PubMed

Tikhonov, Denis S; Sharapa, Dmitry I; Schwabedissen, Jan; Rybkin, Vladimir V

2016-10-12

In this study, we investigate the ability of classical molecular dynamics (MD) and Monte-Carlo (MC) simulations for modeling the intramolecular vibrational motion. These simulations were used to compute thermally-averaged geometrical structures and infrared vibrational intensities for a benchmark set previously studied by gas electron diffraction (GED): CS 2 , benzene, chloromethylthiocyanate, pyrazinamide and 9,12-I 2 -1,2-closo-C 2 B 10 H 10 . The MD sampling of NVT ensembles was performed using chains of Nose-Hoover thermostats (NH) as well as the generalized Langevin equation thermostat (GLE). The performance of the theoretical models based on the classical MD and MC simulations was compared with the experimental data and also with the alternative computational techniques: a conventional approach based on the Taylor expansion of potential energy surface, path-integral MD and MD with quantum-thermal bath (QTB) based on the generalized Langevin equation (GLE). A straightforward application of the classical simulations resulted, as expected, in poor accuracy of the calculated observables due to the complete neglect of quantum effects. However, the introduction of a posteriori quantum corrections significantly improved the situation. The application of these corrections for MD simulations of the systems with large-amplitude motions was demonstrated for chloromethylthiocyanate. The comparison of the theoretical vibrational spectra has revealed that the GLE thermostat used in this work is not applicable for this purpose. On the other hand, the NH chains yielded reasonably good results.

Efficiency and Accuracy in Thermal Simulation of Powder Bed Fusion of Bulk Metallic Glass

NASA Astrophysics Data System (ADS)

Lindwall, J.; Malmelöv, A.; Lundbäck, A.; Lindgren, L.-E.

2018-05-01

Additive manufacturing by powder bed fusion processes can be utilized to create bulk metallic glass as the process yields considerably high cooling rates. However, there is a risk that reheated material set in layers may become devitrified, i.e., crystallize. Therefore, it is advantageous to simulate the process to fully comprehend it and design it to avoid the aforementioned risk. However, a detailed simulation is computationally demanding. It is necessary to increase the computational speed while maintaining accuracy of the computed temperature field in critical regions. The current study evaluates a few approaches based on temporal reduction to achieve this. It is found that the evaluated approaches save a lot of time and accurately predict the temperature history.

Simulating Microfracture In Metal-Matrix Composites

NASA Technical Reports Server (NTRS)

Mital, Subodh K.; Chamis, Christos C.; Gotsis, Pascal K.

1994-01-01

Computational procedures developed for simulating microfracture in metal-matrix/fiber composite materials under mechanical and/or thermal loads at ambient and high temperatures. Procedures evaluate microfracture behavior of composites, establish hierarchies and sequences of fracture modes, and examine influences of compliant layers and partial debonding on properties of composites and on initiation of microfractures in them.

Analysis of spatial thermal field in a magnetic bearing

NASA Astrophysics Data System (ADS)

Wajnert, Dawid; Tomczuk, Bronisław

2018-03-01

This paper presents two mathematical models for temperature field analysis in a new hybrid magnetic bearing. Temperature distributions have been calculated using a three dimensional simulation and a two dimensional one. A physical model for temperature testing in the magnetic bearing has been developed. Some results obtained from computer simulations were compared with measurements.

Cyclic injection, storage, and withdrawal of heated water in a sandstone aquifer at St. Paul, Minnesota--Analysis of thermal data and nonisothermal modeling of short-term test cycles

USGS Publications Warehouse

Miller, Robert T.; Delin, G.N.

2002-01-01

In May 1980, the University of Minnesota began a project to evaluate the feasibility of storing heated water (150 degrees Celsius) in the Franconia-Ironton Galesville aquifer (183 to 245 meters below land surface) and later recovering it for space heating. The University's steam-generation facilities supplied high-temperature water for injection. The Aquifer Thermal-Energy Storage system is a doublet-well design in which the injection-withdrawal wells are spaced approximately 250 meters apart. Water was pumped from one of the wells through a heat exchanger, where heat was added or removed. This water was then injected back into the aquifer through the other well. Four short-term test cycles were completed. Each cycle consisted of approximately equal durations of injection and withdrawal ranging from 5.25 to 8.01 days. Equal rates of injection and withdrawal, ranging from 17.4 to 18.6 liters per second, were maintained for each short-term test cycle. Average injection temperatures ranged from 88.5 to 117.9 degrees Celsius. Temperature graphs for selected depths at individual observation wells indicate that the Ironton and Galesville Sandstones received and stored more thermal energy than the upper part of the Franconia Formation. Clogging of the Ironton Sandstone was possibly due to precipitation of calcium carbonate or movement of fine-grain material or both. Vertical-profile plots indicate that the effects of buoyancy flow were small within the aquifer. A three-dimensional, anisotropic, nonisothermal, ground-water-flow, and thermal-energy-transport model was constructed to simulate the four short-term test cycles. The model was used to simulate the entire short-term testing period of approximately 400 days. The only model properties varied during model calibration were longitudinal and transverse thermal dispersivities, which, for final calibration, were simulated as 3.3 and 0.33 meters, respectively. The model was calibrated by comparing model-computed results to (1) measured temperatures at selected altitudes in four observation wells, (2) measured temperatures at the production well, and (3) calculated thermal efficiencies of the aquifer. Model-computed withdrawal-water temperatures were within an average of about 3 percent of measured values and model-computed aquifer-thermal efficiencies were within an average of about 5 percent of calculated values for the short-term test cycles. These data indicate that the model accurately simulated thermal-energy storage within the Franconia-Ironton-Galesville aquifer.

Development of Boundary Condition Independent Reduced Order Thermal Models using Proper Orthogonal Decomposition

NASA Astrophysics Data System (ADS)

Raghupathy, Arun; Ghia, Karman; Ghia, Urmila

2008-11-01

Compact Thermal Models (CTM) to represent IC packages has been traditionally developed using the DELPHI-based (DEvelopment of Libraries of PHysical models for an Integrated design) methodology. The drawbacks of this method are presented, and an alternative method is proposed. A reduced-order model that provides the complete thermal information accurately with less computational resources can be effectively used in system level simulations. Proper Orthogonal Decomposition (POD), a statistical method, can be used to reduce the order of the degree of freedom or variables of the computations for such a problem. POD along with the Galerkin projection allows us to create reduced-order models that reproduce the characteristics of the system with a considerable reduction in computational resources while maintaining a high level of accuracy. The goal of this work is to show that this method can be applied to obtain a boundary condition independent reduced-order thermal model for complex components. The methodology is applied to the 1D transient heat equation.

The updated algorithm of the Energy Consumption Program (ECP): A computer model simulating heating and cooling energy loads in buildings

NASA Technical Reports Server (NTRS)

Lansing, F. L.; Strain, D. M.; Chai, V. W.; Higgins, S.

1979-01-01

The energy Comsumption Computer Program was developed to simulate building heating and cooling loads and compute thermal and electric energy consumption and cost. This article reports on the new additional algorithms and modifications made in an effort to widen the areas of application. The program structure was rewritten accordingly to refine and advance the building model and to further reduce the processing time and cost. The program is noted for its very low cost and ease of use compared to other available codes. The accuracy of computations is not sacrificed however, since the results are expected to lie within + or - 10% of actual energy meter readings.

Computational analysis of heat transfer, thermal stress and dislocation density during resistively Czochralski growth of germanium single crystal

NASA Astrophysics Data System (ADS)

Tavakoli, Mohammad Hossein; Renani, Elahe Kabiri; Honarmandnia, Mohtaram; Ezheiyan, Mahdi

2018-02-01

In this paper, a set of numerical simulations of fluid flow, temperature gradient, thermal stress and dislocation density for a Czochralski setup used to grow IR optical-grade Ge single crystal have been done for different stages of the growth process. A two-dimensional steady state finite element method has been applied for all calculations. The obtained numerical results reveal that the thermal field, thermal stress and dislocation structure are mainly dependent on the crystal height, heat radiation and gas flow in the growth system.

Polynomial-time quantum algorithm for the simulation of chemical dynamics

PubMed Central

Kassal, Ivan; Jordan, Stephen P.; Love, Peter J.; Mohseni, Masoud; Aspuru-Guzik, Alán

2008-01-01

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can be applied only to small systems. By contrast, we demonstrate that quantum computers could exactly simulate chemical reactions in polynomial time. Our algorithm uses the split-operator approach and explicitly simulates all electron-nuclear and interelectronic interactions in quadratic time. Surprisingly, this treatment is not only more accurate than the Born–Oppenheimer approximation but faster and more efficient as well, for all reactions with more than about four atoms. This is the case even though the entire electronic wave function is propagated on a grid with appropriately short time steps. Although the preparation and measurement of arbitrary states on a quantum computer is inefficient, here we demonstrate how to prepare states of chemical interest efficiently. We also show how to efficiently obtain chemically relevant observables, such as state-to-state transition probabilities and thermal reaction rates. Quantum computers using these techniques could outperform current classical computers with 100 qubits. PMID:19033207

Thermal and fluid simulation of the environment under the dashboard, compared with measurement data

NASA Astrophysics Data System (ADS)

Popescu, C. S.; Sirbu, G. M.; Nita, I. C.

2017-10-01

The development of vehicles during the last decade is related to the evolution of electronic systems added in order to increase the safety and the number of services available on board, such as advanced driver-assistance systems (ADAS). Cars already have a complex computer network, with electronic control units (ECUs) connected to each other and receiving information from many sensors. The ECUs transfer an important heat power to the environment, while proper operating conditions need to be provided to ensure their reliability at high and low temperature, vibration and humidity. In a car cabin, electronic devices are usually placed in the compartment under the dashboard, an enclosed space designed for functional purposes. In the early stages of the vehicle design it has become necessary to analyse the environment under dashboard, by the use of Computational Fluid Dynamics (CFD) simulations and measurements. This paper presents the cooling of heat sinks by natural convection, a thermal and fluid simulation of the environment under the dashboard compared with test data.

Computer Simulation of Fracture in Aerogels

NASA Technical Reports Server (NTRS)

Good, Brian S.

2006-01-01

Aerogels are of interest to the aerospace community primarily for their thermal properties, notably their low thermal conductivities. While the gels are typically fragile, recent advances in the application of conformal polymer layers to these gels has made them potentially useful as lightweight structural materials as well. In this work, we investigate the strength and fracture behavior of silica aerogels using a molecular statics-based computer simulation technique. The gels' structure is simulated via a Diffusion Limited Cluster Aggregation (DLCA) algorithm, which produces fractal structures representing experimentally observed aggregates of so-called secondary particles, themselves composed of amorphous silica primary particles an order of magnitude smaller. We have performed multi-length-scale simulations of fracture in silica aerogels, in which the interaction b e e n two secondary particles is assumed to be described by a Morse pair potential parameterized such that the potential range is much smaller than the secondary particle size. These Morse parameters are obtained by atomistic simulation of models of the experimentally-observed amorphous silica "bridges," with the fracture behavior of these bridges modeled via molecular statics using a Morse/Coulomb potential for silica. We consider the energetics of the fracture, and compare qualitative features of low-and high-density gel fracture.

3-D Analysis of Flanged Joints Through Various Preload Methods Using ANSYS

NASA Astrophysics Data System (ADS)

Murugan, Jeyaraj Paul; Kurian, Thomas; Jayaprakash, Janardhan; Sreedharapanickar, Somanath

2015-10-01

Flanged joints are being employed in aerospace solid rocket motor hardware for the integration of various systems or subsystems. Hence, the design of flanged joints is very important in ensuring the integrity of motor while functioning. As these joints are subjected to higher loads due to internal pressure acting inside the motor chamber, an appropriate preload is required to be applied in this joint before subjecting it to the external load. Preload, also known as clamp load, is applied on the fastener and helps to hold the mating flanges together. Generally preload is simulated as a thermal load and the exact preload is obtained through number of iterations. Infact, more iterations are required when considering the material nonlinearity of the bolt. This way of simulation will take more computational time for generating the required preload. Now a days most commercial software packages use pretension elements for simulating the preload. This element does not require iterations for inducing the preload and it can be solved with single iteration. This approach takes less computational time and thus one can study the characteristics of the joint easily by varying the preload. When the structure contains more number of joints with different sizes of fasteners, pretension elements can be used compared to thermal load approach for simulating each size of fastener. This paper covers the details of analyses carried out simulating the preload through various options viz., preload through thermal, initial state command and pretension element etc. using ANSYS finite element package.

Study of the possibility of thermal utilization of contaminated water in low-power boilers

NASA Astrophysics Data System (ADS)

Roslyakov, P. V.; Proskurin, Y. V.; Zaichenko, M. N.

2017-09-01

The utilization of water contaminated with oil products is a topical problem for thermal power plants and boiler houses. It is reasonable to use special water treatment equipment only for large power engineering and industry facilities. Thermal utilization of contaminated water in boiler furnaces is proposed as an alternative version of its utilization. Since there are hot-water fire-tube boilers at many enterprises, it is necessary to study the possibility of thermal utilization of water contaminated with oil products in their furnaces. The object of this study is a KV-GM-2.0 boiler with a heating power of 2 MW. The pressurized burner developed at the Moscow Power Engineering Institute, National Research University, was used as a burner device for supplying liquid fuel. The computational investigations were performed on the basis of the computer simulation of processes of liquid fuel atomization, mixing, ignition, and burnout; in addition, the formation of nitrogen oxides was simulated on the basis of ANSYS Fluent computational dynamics software packages, taking into account radiative and convective heat transfer. Analysis of the results of numerical experiments on the combined supply of crude oil and water contaminated with oil products has shown that the thermal utilization of contaminated water in fire-tube boilers cannot be recommended. The main causes here are the impingement of oil droplets on the walls of the flame tube, as well as the delay in combustion and increased emissions of nitrogen oxides. The thermal utilization of contaminated water combined with diesel fuel can be arranged provided that the water consumption is not more than 3%; however, this increases the emission of nitrogen oxides. The further increase in contaminated water consumption will lead to the reduction of the reliability of the combustion process.

Analysis of hybrid electric/thermofluidic inputs for wet shape memory alloy actuators

NASA Astrophysics Data System (ADS)

Flemming, Leslie; Mascaro, Stephen

2013-01-01

A wet shape memory alloy (SMA) actuator is characterized by an SMA wire embedded within a compliant fluid-filled tube. Heating and cooling of the SMA wire produces a linear contraction and extension of the wire. Thermal energy can be transferred to and from the wire using combinations of resistive heating and free/forced convection. This paper analyzes the speed and efficiency of a simulated wet SMA actuator using a variety of control strategies involving different combinations of electrical and thermofluidic inputs. A computational fluid dynamics (CFD) model is used in conjunction with a temperature-strain model of the SMA wire to simulate the thermal response of the wire and compute strains, contraction/extension times and efficiency. The simulations produce cycle rates of up to 5 Hz for electrical heating and fluidic cooling, and up to 2 Hz for fluidic heating and cooling. The simulated results demonstrate efficiencies up to 0.5% for electric heating and up to 0.2% for fluidic heating. Using both electric and fluidic inputs concurrently improves the speed and efficiency of the actuator and allows for the actuator to remain contracted without continually delivering energy to the actuator, because of the thermal capacitance of the hot fluid. The characterized speeds and efficiencies are key requirements for implementing broader research efforts involving the intelligent control of electric and thermofluidic networks to optimize the speed and efficiency of wet actuator arrays.

Computer Modeling of the Thermal Conductivity of Cometary Ice

NASA Technical Reports Server (NTRS)

Bunch, Theodore E.; Wilson, Michael A.; Pohorille, Andrew

1998-01-01

The main objective of this research was to estimate the thermal conductivity of cometry ices from computer simulations of model amorphous ices. This was divided into four specific tasks: (1) Generating samples of amorphous water ices at different microporosities; (2) Comparing the resulting molecular structures of the ices with experimental results, for those densities where data was available; (3) Calculating the thermal conductivities of liquid water and bulk amorphous ices and comparing these results with experimentally determined thermal conductivities; and (4) Investigating how the thermal conductivity of amorphous ice depends upon the microscopic porosity of the samples. The thermal conductivity was found to be only weakly dependent on the microstructure of the amorphous ice. In general, the amorphous ices were found to have thermal conductivities of the same order of magnitude as liquid water. This is in contradiction to recent experimental estimates of the thermal conductivity of amorphous ice, and it is suggested that the extremely low value obtained experimentally is due to larger-scale defects in the ice, such as cracks, but it is not an intrinsic property of the bulk amorphous ice.

Numerical-experimental analysis of a carbon-phenolic composite via plasma jet ablation test

NASA Astrophysics Data System (ADS)

Guilherme Silva Pesci, Pedro; Araújo Machado, Humberto; Silva, Homero de Paula e.; Cley Paterniani Rita, Cristian; Petraconi Filho, Gilberto; Cocchieri Botelho, Edson

2018-06-01

Materials used in space vehicles components are subjected to thermally aggressive environments when exposed to atmospheric reentry. In order to protect the payload and the vehicle itself, ablative composites are employed as TPS (Thermal Protection System). The development of TPS materials generally go through phases of obtaining, atmospheric reentry tests and comparison with a mathematical model. The state of the art presents some reentry tests in a subsonic or supersonic arc-jet facility, and a complex type of mathematical model, which normally requires large computational cost. This work presents a reliable method for estimate the performance of ablative composites, combining empirical and experimental data. Tests of composite materials used in thermal protection systems through exposure to a plasma jet are performed, where the heat fluxes emulate those present in atmospheric reentry of space vehicles components. The carbon/phenolic material samples have been performed in the hypersonic plasma tunnel of Plasma and Process Laboratory, available in Aeronautics Institute of Technology (ITA), by a plasma torch with a 50 kW DC power source. The plasma tunnel parameters were optimized to reproduce the conditions close to the critical re-entry point of the space vehicles payloads developed by the Aeronautics and Space Institute (IAE). The specimens in study were developed and manufactured in Brazil. Mass loss and specific mass loss rates of the samples and the back surface temperatures, as a function of the exposure time to the thermal flow, were determined. A computational simulation based in a two-front ablation model was performed, in order to compare the tests and the simulation results. The results allowed to estimate the ablative behavior of the tested material and to validate the theoretical model used in the computational simulation for its use in geometries close to the thermal protection systems used in the Brazilian space and suborbital vehicles.

Nanoporous Silica Thermal Insulation for Space Shuttle Cryogenic Tanks: A Case Study

NASA Technical Reports Server (NTRS)

Noever, David A.

1999-01-01

Nanoporous silica (with typical 10-50 nm porous radii) has been benchmarked for thermal insulators capable of maintaining a 150 K/cm temperature gradient. For cryogenic use in aerospace applications, the combined features for low-density, high thermal insulation factors, and low temperature compatibility are demonstrated in a prototype sandwich structure between two propulsion tanks. Theoretical modelling based on a nanoscale fractal structure suggest that the thermal conductivity scales proportionally (exponent, 1.7) with the material density-lower density increases the thermal insulation rating. Computer simulations, however, support the optimization tradeoff between material strength (Young moduli, proportional to density with exponent, 3.7), the characteristic (colloidal silica, less than 5 nm) particle size, and the thermal rating. The results of these simulations indicate that as nanosized particles are incorporated into the silica backbone, the resulting physical properties will be tailored by the smallest characteristic length and their fractal interconnections (dimension and fractal size). The application specifies a prototype panel which takes advantage of the processing flexibility inherent in sol-gel chemistry.

A 3-D wellbore simulator (WELLTHER-SIM) to determine the thermal diffusivity of rock-formations

NASA Astrophysics Data System (ADS)

Wong-Loya, J. A.; Santoyo, E.; Andaverde, J.

2017-06-01

Acquiring thermophysical properties of rock-formations in geothermal systems is an essential task required for the well drilling and completion. Wellbore thermal simulators require such properties for predicting the thermal behavior of a wellbore and the formation under drilling and shut-in conditions. The estimation of static formation temperatures also needs the use of these properties for the wellbore and formation materials (drilling fluids and pipes, cements, casings, and rocks). A numerical simulator (WELLTHER-SIM) has been developed for modeling the drilling fluid circulation and shut-in processes of geothermal wellbores, and for the in-situ determination of thermal diffusivities of rocks. Bottomhole temperatures logged under shut-in conditions (BHTm), and thermophysical and transport properties of drilling fluids were used as main input data. To model the thermal disturbance and recovery processes in the wellbore and rock-formation, initial drilling fluid and static formation temperatures were used as initial and boundary conditions. WELLTHER-SIM uses these temperatures together with an initial thermal diffusivity for the rock-formation to solve the governing equations of the heat transfer model. WELLTHER-SIM was programmed using the finite volume technique to solve the heat conduction equations under 3-D and transient conditions. Thermal diffusivities of rock-formations were inversely computed by using an iterative and efficient numerical simulation, where simulated thermal recovery data sets (BHTs) were statistically compared with those temperature measurements (BHTm) logged in some geothermal wellbores. The simulator was validated using a well-documented case reported in the literature, where the thermophysical properties of the rock-formation are known with accuracy. The new numerical simulator has been successfully applied to two wellbores drilled in geothermal fields of Japan and Mexico. Details of the physical conceptual model, the numerical algorithm, and the validation and application results are outlined in this work.

NVSIM: UNIX-based thermal imaging system simulator

NASA Astrophysics Data System (ADS)

Horger, John D.

1993-08-01

For several years the Night Vision and Electronic Sensors Directorate (NVESD) has been using an internally developed forward looking infrared (FLIR) simulation program. In response to interest in the simulation part of these projects by other organizations, NVESD has been working on a new version of the simulation, NVSIM, that will be made generally available to the FLIR using community. NVSIM uses basic FLIR specification data, high resolution thermal input imagery and spatial domain image processing techniques to produce simulated image outputs from a broad variety of FLIRs. It is being built around modular programming techniques to allow simpler addition of more sensor effects. The modularity also allows selective inclusion and exclusion of individual sensor effects at run time. The simulation has been written in the industry standard ANSI C programming language under the widely used UNIX operating system to make it easily portable to a wide variety of computer platforms.

A simple way to improve AGN feedback prescription in SPH simulations

NASA Astrophysics Data System (ADS)

Zubovas, Kastytis; Bourne, Martin A.; Nayakshin, Sergei

2016-03-01

Active galactic nuclei (AGN) feedback is an important ingredient in galaxy evolution, however its treatment in numerical simulations is necessarily approximate, requiring subgrid prescriptions due to the dynamical range involved in the calculations. We present a suite of smoothed particle hydrodynamics simulations designed to showcase the importance of the choice of a particular subgrid prescription for AGN feedback. We concentrate on two approaches to treating wide-angle AGN outflows: thermal feedback, where thermal and kinetic energy is injected into the gas surrounding the supermassive black hole (SMBH) particle, and virtual particle feedback, where energy is carried by tracer particles radially away from the AGN. We show that the latter model produces a far more complex structure around the SMBH, which we argue is a more physically correct outcome. We suggest a simple improvement to the thermal feedback model - injecting the energy into a cone, rather than spherically symmetrically - and show that this markedly improves the agreement between the two prescriptions, without requiring any noticeable increase in the computational cost of the simulation.

A Numerical Study of the Thermal Characteristics of an Air Cavity Formed by Window Sashes in a Double Window

NASA Astrophysics Data System (ADS)

Kang, Jae-sik; Oh, Eun-Joo; Bae, Min-Jung; Song, Doo-Sam

2017-12-01

Given that the Korean government is implementing what has been termed the energy standards and labelling program for windows, window companies will be required to assign window ratings based on the experimental results of their product. Because this has added to the cost and time required for laboratory tests by window companies, the simulation system for the thermal performance of windows has been prepared to compensate for time and cost burdens. In Korea, a simulator is usually used to calculate the thermal performance of a window through WINDOW/THERM, complying with ISO 15099. For a single window, the simulation results are similar to experimental results. A double window is also calculated using the same method, but the calculation results for this type of window are unreliable. ISO 15099 should not recommend the calculation of the thermal properties of an air cavity between window sashes in a double window. This causes a difference between simulation and experimental results pertaining to the thermal performance of a double window. In this paper, the thermal properties of air cavities between window sashes in a double window are analyzed through computational fluid dynamics (CFD) simulations with the results compared to calculation results certified by ISO 15099. The surface temperature of the air cavity analyzed by CFD is compared to the experimental temperatures. These results show that an appropriate calculation method for an air cavity between window sashes in a double window should be established for reliable thermal performance results for a double window.

Integration of symbolic and algorithmic hardware and software for the automation of space station subsystems

NASA Technical Reports Server (NTRS)

Gregg, Hugh; Healey, Kathleen; Hack, Edmund; Wong, Carla

1987-01-01

Traditional expert systems, such as diagnostic and training systems, interact with users only through a keyboard and screen, and are usually symbolic in nature. Expert systems that require access to data bases, complex simulations and real-time instrumentation have both symbolic as well as algorithmic computing needs. These needs could both be met using a general purpose workstation running both symbolic and algorithmic code, or separate, specialized computers networked together. The latter approach was chosen to implement TEXSYS, the thermal expert system, developed by NASA Ames Research Center in conjunction with Johnson Space Center to demonstrate the ability of an expert system to autonomously monitor the thermal control system of the space station. TEXSYS has been implemented on a Symbolics workstation, and will be linked to a microVAX computer that will control a thermal test bed. This paper will explore the integration options, and present several possible solutions.

Simulation of Structural Transformations in Heating of Alloy Steel

NASA Astrophysics Data System (ADS)

Kurkin, A. S.; Makarov, E. L.; Kurkin, A. B.; Rubtsov, D. E.; Rubtsov, M. E.

2017-07-01

Amathematical model for computer simulation of structural transformations in an alloy steel under the conditions of the thermal cycle of multipass welding is presented. The austenitic transformation under the heating and the processes of decomposition of bainite and martensite under repeated heating are considered. Amethod for determining the necessary temperature-time parameters of the model from the chemical composition of the steel is described. Published data are processed and the results used to derive regression models of the temperature ranges and parameters of transformation kinetics of alloy steels. The method developed is used in computer simulation of the process of multipass welding of pipes by the finite-element method.

Thermal Stabilization of Dihydrofolate Reductase Using Monte Carlo Unfolding Simulations and Its Functional Consequences

PubMed Central

Whitney, Anna; Shakhnovich, Eugene I.

2015-01-01

Design of proteins with desired thermal properties is important for scientific and biotechnological applications. Here we developed a theoretical approach to predict the effect of mutations on protein stability from non-equilibrium unfolding simulations. We establish a relative measure based on apparent simulated melting temperatures that is independent of simulation length and, under certain assumptions, proportional to equilibrium stability, and we justify this theoretical development with extensive simulations and experimental data. Using our new method based on all-atom Monte-Carlo unfolding simulations, we carried out a saturating mutagenesis of Dihydrofolate Reductase (DHFR), a key target of antibiotics and chemotherapeutic drugs. The method predicted more than 500 stabilizing mutations, several of which were selected for detailed computational and experimental analysis. We find a highly significant correlation of r = 0.65–0.68 between predicted and experimentally determined melting temperatures and unfolding denaturant concentrations for WT DHFR and 42 mutants. The correlation between energy of the native state and experimental denaturation temperature was much weaker, indicating the important role of entropy in protein stability. The most stabilizing point mutation was D27F, which is located in the active site of the protein, rendering it inactive. However for the rest of mutations outside of the active site we observed a weak yet statistically significant positive correlation between thermal stability and catalytic activity indicating the lack of a stability-activity tradeoff for DHFR. By combining stabilizing mutations predicted by our method, we created a highly stable catalytically active E. coli DHFR mutant with measured denaturation temperature 7.2°C higher than WT. Prediction results for DHFR and several other proteins indicate that computational approaches based on unfolding simulations are useful as a general technique to discover stabilizing mutations. PMID:25905910

Molecular dynamics simulation of fast particle irradiation on the single crystal CeO2

NASA Astrophysics Data System (ADS)

Sasajima, Y.; Ajima, N.; Osada, T.; Ishikawa, N.; Iwase, A.

2013-11-01

We used a molecular dynamics method to simulate structural relaxation caused by the high-energy-ion irradiation of single crystal CeO2. As the initial condition, we assumed high thermal energy was supplied to the individual atoms within a cylindrical region of nanometer-order diameter located in the center of the single crystal. The potential proposed by Inaba et al. was utilized to calculate interactions between atoms [H. Inaba, R. Sagawa, H. Hayashi, K. Kawamura, Solid State Ionics 122 (1999) 95-103]. The supplied thermal energy was first spent to change the crystal structure into an amorphous one within a short period of about 0.3 ps, then it was dissipated in the crystal. We compared the obtained results with those of computer simulations for UO2 and found that CeO2 was more stable than UO2 when supplied with high thermal energy.

Particle bed reactor modeling

NASA Technical Reports Server (NTRS)

Sapyta, Joe; Reid, Hank; Walton, Lew

1993-01-01

The topics are presented in viewgraph form and include the following: particle bed reactor (PBR) core cross section; PBR bleed cycle; fuel and moderator flow paths; PBR modeling requirements; characteristics of PBR and nuclear thermal propulsion (NTP) modeling; challenges for PBR and NTP modeling; thermal hydraulic computer codes; capabilities for PBR/reactor application; thermal/hydralic codes; limitations; physical correlations; comparison of predicted friction factor and experimental data; frit pressure drop testing; cold frit mask factor; decay heat flow rate; startup transient simulation; and philosophy of systems modeling.

Simulation of ventilation efficiency, and pre-closure temperatures in emplacement drifts at Yucca Mountain, Nevada, using Monte Carlo and composite thermal-pulse methods

USGS Publications Warehouse

Case, J.B.; Buesch, D.C.

2004-01-01

Predictions of waste canister and repository driftwall temperatures as functions of space and time are important to evaluate pre-closure performance of the proposed repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain, Nevada. Variations in the lithostratigraphic features in densely welded and crystallized rocks of the 12.8-million-year-old Topopah Spring Tuff, especially the porosity resulting from lithophysal cavities, affect thermal properties. A simulated emplacement drift is based on projecting lithophysal cavity porosity values 50 to 800 m from the Enhanced Characterization of the Repository Block cross drift. Lithophysal cavity porosity varies from 0.00 to 0.05 cm3/cm3 in the middle nonlithophysal zone and from 0.03 to 0.28 cm3/cm3 in the lower lithophysal zone. A ventilation model and computer program titled "Monte Carlo Simulation of Ventilation" (MCSIMVENT), which is based on a composite thermal-pulse calculation, simulates statistical variability and uncertainty of rock-mass thermal properties and ventilation performance along a simulated emplacement drift for a pre-closure period of 50 years. Although ventilation efficiency is relatively insensitive to thermal properties, variations in lithophysal porosity along the drift can result in a range of peak driftwall temperatures can range from 40 to 85??C for the preclosure period. Copyright ?? 2004 by ASME.

An adaptive displacement estimation algorithm for improved reconstruction of thermal strain.

PubMed

Ding, Xuan; Dutta, Debaditya; Mahmoud, Ahmed M; Tillman, Bryan; Leers, Steven A; Kim, Kang

2015-01-01

Thermal strain imaging (TSI) can be used to differentiate between lipid and water-based tissues in atherosclerotic arteries. However, detecting small lipid pools in vivo requires accurate and robust displacement estimation over a wide range of displacement magnitudes. Phase-shift estimators such as Loupas' estimator and time-shift estimators such as normalized cross-correlation (NXcorr) are commonly used to track tissue displacements. However, Loupas' estimator is limited by phase-wrapping and NXcorr performs poorly when the SNR is low. In this paper, we present an adaptive displacement estimation algorithm that combines both Loupas' estimator and NXcorr. We evaluated this algorithm using computer simulations and an ex vivo human tissue sample. Using 1-D simulation studies, we showed that when the displacement magnitude induced by thermal strain was >λ/8 and the electronic system SNR was >25.5 dB, the NXcorr displacement estimate was less biased than the estimate found using Loupas' estimator. On the other hand, when the displacement magnitude was ≤λ/4 and the electronic system SNR was ≤25.5 dB, Loupas' estimator had less variance than NXcorr. We used these findings to design an adaptive displacement estimation algorithm. Computer simulations of TSI showed that the adaptive displacement estimator was less biased than either Loupas' estimator or NXcorr. Strain reconstructed from the adaptive displacement estimates improved the strain SNR by 43.7 to 350% and the spatial accuracy by 1.2 to 23.0% (P < 0.001). An ex vivo human tissue study provided results that were comparable to computer simulations. The results of this study showed that a novel displacement estimation algorithm, which combines two different displacement estimators, yielded improved displacement estimation and resulted in improved strain reconstruction.

An Adaptive Displacement Estimation Algorithm for Improved Reconstruction of Thermal Strain

PubMed Central

Ding, Xuan; Dutta, Debaditya; Mahmoud, Ahmed M.; Tillman, Bryan; Leers, Steven A.; Kim, Kang

2014-01-01

Thermal strain imaging (TSI) can be used to differentiate between lipid and water-based tissues in atherosclerotic arteries. However, detecting small lipid pools in vivo requires accurate and robust displacement estimation over a wide range of displacement magnitudes. Phase-shift estimators such as Loupas’ estimator and time-shift estimators like normalized cross-correlation (NXcorr) are commonly used to track tissue displacements. However, Loupas’ estimator is limited by phase-wrapping and NXcorr performs poorly when the signal-to-noise ratio (SNR) is low. In this paper, we present an adaptive displacement estimation algorithm that combines both Loupas’ estimator and NXcorr. We evaluated this algorithm using computer simulations and an ex-vivo human tissue sample. Using 1-D simulation studies, we showed that when the displacement magnitude induced by thermal strain was >λ/8 and the electronic system SNR was >25.5 dB, the NXcorr displacement estimate was less biased than the estimate found using Loupas’ estimator. On the other hand, when the displacement magnitude was ≤λ/4 and the electronic system SNR was ≤25.5 dB, Loupas’ estimator had less variance than NXcorr. We used these findings to design an adaptive displacement estimation algorithm. Computer simulations of TSI using Field II showed that the adaptive displacement estimator was less biased than either Loupas’ estimator or NXcorr. Strain reconstructed from the adaptive displacement estimates improved the strain SNR by 43.7–350% and the spatial accuracy by 1.2–23.0% (p < 0.001). An ex-vivo human tissue study provided results that were comparable to computer simulations. The results of this study showed that a novel displacement estimation algorithm, which combines two different displacement estimators, yielded improved displacement estimation and results in improved strain reconstruction. PMID:25585398

Solar Simulation for the CREST Preflight Thermal-Vacuum Test at B-2

NASA Technical Reports Server (NTRS)

Ziemke, Robert A.

2013-01-01

In June 2011, the multi-university sponsored Cosmic Ray Electron Synchrotron Telescope (CREST) has undergone thermal-vacuum qualification testing at the NASA Glenn Research Center (GRC), Plum Brook Station, Sandusky, Ohio. The testing was performed in the B- 2 Space Propulsion Facility vacuum chamber. The CREST was later flown over the Antarctic region as the payload of a stratospheric balloon. Solar simulation was provided by a system of planar infrared lamp arrays specifically designed for CREST. The lamp arrays, in conjunction with a liquid-nitrogen-cooled cryoshroud, achieved the required thermal conditions for the qualification tests. This report focuses on the design and analysis of the planar arrays based on first principles. Computational spreadsheets are included in the report.

Temperature control simulation for a microwave transmitter cooling system. [deep space network

NASA Technical Reports Server (NTRS)

Yung, C. S.

1980-01-01

The thermal performance of a temperature control system for the antenna microwave transmitter (klystron tube) of the Deep Space Network antenna tracking system is discussed. In particular the mathematical model is presented along with the details of a computer program which is written for the system simulation and the performance parameterization. Analytical expressions are presented.

Strength computation of forged parts taking into account strain hardening and damage

NASA Astrophysics Data System (ADS)

Cristescu, Michel L.

2004-06-01

Modern non-linear simulation software, such as FORGE 3 (registered trade mark of TRANSVALOR), are able to compute the residual stresses, the strain hardening and the damage during the forging process. A thermally dependent elasto-visco-plastic law is used to simulate the behavior of the material of the hot forged piece. A modified Lemaitre law coupled with elasticiy, plasticity and thermic is used to simulate the damage. After the simulation of the different steps of the forging process, the part is cooled and then virtually machined, in order to obtain the finished part. An elastic computation is then performed to equilibrate the residual stresses, so that we obtain the true geometry of the finished part after machining. The response of the part to the loadings it will sustain during it's life is then computed, taking into account the residual stresses, the strain hardening and the damage that occur during forging. This process is illustrated by the forging, virtual machining and stress analysis of an aluminium wheel hub.

Experimental Validation of a Closed Brayton Cycle System Transient Simulation

NASA Technical Reports Server (NTRS)

Johnson, Paul K.; Hervol, David S.

2006-01-01

The Brayton Power Conversion Unit (BPCU) located at NASA Glenn Research Center (GRC) in Cleveland, Ohio was used to validate the results of a computational code known as Closed Cycle System Simulation (CCSS). Conversion system thermal transient behavior was the focus of this validation. The BPCU was operated at various steady state points and then subjected to transient changes involving shaft rotational speed and thermal energy input. These conditions were then duplicated in CCSS. Validation of the CCSS BPCU model provides confidence in developing future Brayton power system performance predictions, and helps to guide high power Brayton technology development.

Validation of the k- ω turbulence model for the thermal boundary layer profile of effusive cooled walls

NASA Astrophysics Data System (ADS)

Hink, R.

2015-09-01

The choice of materials for rocket chamber walls is limited by its thermal resistance. The thermal loads can be reduced substantially by the blowing out of gases through a porous surface. The k- ω-based turbulence models for computational fluid dynamic simulations are designed for smooth, non-permeable walls and have to be adjusted to account for the influence of injected fluids. Wilcox proposed therefore an extension for the k- ω turbulence model for the correct prediction of turbulent boundary layer velocity profiles. In this study, this extension is validated against experimental thermal boundary layer data from the Thermosciences Division of the Department of Mechanical Engineering from the Stanford University. All simulations are performed with a finite volume-based in-house code of the German Aerospace Center. Several simulations with different blowing settings were conducted and discussed in comparison to the results of the original model and in comparison to an additional roughness implementation. This study has permitted to understand that velocity profile corrections are necessary in contrast to additional roughness corrections to predict the correct thermal boundary layer profile of effusive cooled walls. Finally, this approach is applied to a two-dimensional simulation of an effusive cooled rocket chamber wall.

A modular radiative transfer program for gas filter correlation radiometry

NASA Technical Reports Server (NTRS)

Casas, J. C.; Campbell, S. A.

1977-01-01

The fundamentals of a computer program, simulated monochromatic atmospheric radiative transfer (SMART), which calculates atmospheric path transmission, solar radiation, and thermal radiation in the 4.6 micrometer spectral region, are described. A brief outline of atmospheric absorption properties and line by line transmission calculations is explained in conjunction with an outline of the SMART computational procedures. Program flexibility is demonstrated by simulating the response of a gas filter correlation radiometer as one example of an atmospheric infrared sensor. Program limitations, input data requirements, program listing, and comparison of SMART transmission calculations are presented.

Streamline three-dimensional thermal model of a lithium titanate pouch cell battery in extreme temperature conditions with module simulation

NASA Astrophysics Data System (ADS)

Jaguemont, Joris; Omar, Noshin; Martel, François; Van den Bossche, Peter; Van Mierlo, Joeri

2017-11-01

In this paper, the development of a three-dimensional (3D) lithium titanium oxide (LTO) pouch cell is presented to first better comprehend its thermal behavior within electrified vehicle applications, but also to propose a strong modeling base for future thermal management system. Current 3D-thermal models are based on electrochemical reactions which are in need for elaborated meshing effort and long computational time. There lacks a fast electro-thermal model which can capture voltage, current and thermal distribution variation during the whole process. The proposed thermal model is a reduce-effort temperature simulation approach involving a 0D-electrical model accommodating a 3D-thermal model to exclude electrochemical processes. The thermal model is based on heat-transfer theory and its temperature distribution prediction incorporates internal conduction and heat generation effect as well as convection. In addition, experimental tests are conducted to validate the model. Results show that both the heat dissipation rate and surface temperature uniformity data are in agreement with simulation results, which satisfies the application requirements for electrified vehicles. Additionally, a LTO battery pack sizing and modeling is also designed, applied and displays a non-uniformity of the cells under driving operation. Ultimately, the model will serve as a basis for the future development of a thermal strategy for LTO cells that operate in a large temperature range, which is a strong contribution to the existing body of scientific literature.

Intensity dependence of focused ultrasound lesion position

NASA Astrophysics Data System (ADS)

Meaney, Paul M.; Cahill, Mark D.; ter Haar, Gail R.

1998-04-01

Knowledge of the spatial distribution of intensity loss from an ultrasonic beam is critical to predicting lesion formation in focused ultrasound surgery. To date most models have used linear propagation models to predict the intensity profiles needed to compute the temporally varying temperature distributions. These can be used to compute thermal dose contours that can in turn be used to predict the extent of thermal damage. However, these simulations fail to adequately describe the abnormal lesion formation behavior observed for in vitro experiments in cases where the transducer drive levels are varied over a wide range. For these experiments, the extent of thermal damage has been observed to move significantly closer to the transducer with increasing transducer drive levels than would be predicted using linear propagation models. The simulations described herein, utilize the KZK (Khokhlov-Zabolotskaya-Kuznetsov) nonlinear propagation model with the parabolic approximation for highly focused ultrasound waves, to demonstrate that the positions of the peak intensity and the lesion do indeed move closer to the transducer. This illustrates that for accurate modeling of heating during FUS, nonlinear effects must be considered.

Using the NASTRAN Thermal Analyzer to simulate a flight scientific instrument package

NASA Technical Reports Server (NTRS)

Lee, H.-P.; Jackson, C. E., Jr.

1974-01-01

The NASTRAN Thermal Analyzer has proven to be a unique and useful tool for thermal analyses involving large and complex structures where small, thermally induced deformations are critical. Among its major advantages are direct grid point-to-grid point compatibility with large structural models; plots of the model that may be generated for both conduction and boundary elements; versatility of applying transient thermal loads especially to repeat orbital cycles; on-line printer plotting of temperatures and rate of temperature changes as a function of time; and direct matrix input to solve linear differential equations on-line. These features provide a flexibility far beyond that available in most finite-difference thermal analysis computer programs.

Comparison of modeled and experimental PV array temperature profiles for accurate interpretation of module performance and degradation

NASA Astrophysics Data System (ADS)

Elwood, Teri; Simmons-Potter, Kelly

2017-08-01

Quantification of the effect of temperature on photovoltaic (PV) module efficiency is vital to the correct interpretation of PV module performance under varied environmental conditions. However, previous work has demonstrated that PV module arrays in the field are subject to significant location-based temperature variations associated with, for example, local heating/cooling and array edge effects. Such thermal non-uniformity can potentially lead to under-prediction or over-prediction of PV array performance due to an incorrect interpretation of individual module temperature de-rating. In the current work, a simulated method for modeling the thermal profile of an extended PV array has been investigated through extensive computational modeling utilizing ANSYS, a high-performance computational fluid dynamics (CFD) software tool. Using the local wind speed as an input, simulations were run to determine the velocity at particular points along modular strings corresponding to the locations of temperature sensors along strings in the field. The point velocities were utilized along with laminar flow theories in order to calculate Nusselt's number for each point. These calculations produced a heat flux profile which, when combined with local thermal and solar radiation profiles, were used as inputs in an ANSYS Thermal Transient model that generated a solar string operating temperature profile. A comparison of the data collected during field testing, and the data fabricated by ANSYS simulations, will be discussed in order to authenticate the accuracy of the model.

The intensity dependence of lesion position shift during focused ultrasound surgery.

PubMed

Meaney, P M; Cahill, M D; ter Haar, G R

2000-03-01

Knowledge of the spatial distribution of intensity loss from an ultrasonic beam is critical for predicting lesion formation in focused ultrasound (US) surgery (FUS). To date, most models have used linear propagation models to predict intensity profiles required to compute the temporally varying temperature distributions used to compute thermal dose contours. These are used to predict the extent of thermal damage. However, these simulations fail to describe adequately the abnormal lesion formation behaviour observed during ex vivo experiments in cases for which the transducer drive levels are varied over a wide range. In such experiments, the extent of thermal damage has been observed to move significantly closer to the transducer with increased transducer drive levels than would be predicted using linear-propagation models. The first set of simulations described herein use the KZK (Khokhlov-Zabolotskaya-Kuznetsov) nonlinear propagation model with the parabolic approximation for highly focused US waves to demonstrate that both the peak intensity and the lesion positions do, indeed, move closer to the transducer. This illustrates that, for accurate modelling of heating during FUS, nonlinear effects should be considered. Additionally, a first order approximation has been employed that attempts to account for the abnormal heat deposition distributions that accompany high transducer drive level FUS exposures where cavitation and boiling may be present. The results of these simulations are presented. It is suggested that this type of approach may be a useful tool in understanding thermal damage mechanisms.

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.

Thermal analysis of underground power cable system

NASA Astrophysics Data System (ADS)

Rerak, Monika; Ocłoń, Paweł

2017-10-01

The paper presents the application of Finite Element Method in thermal analysis of underground power cable system. The computations were performed for power cables buried in-line in the ground at a depth of 2 meters. The developed mathematical model allows determining the two-dimensional temperature distribution in the soil, thermal backfill and power cables. The simulations studied the effect of soil and cable backfill thermal conductivity on the maximum temperature of the cable conductor. Also, the effect of cable diameter on the temperature of cable core was studied. Numerical analyses were performed based on a program written in MATLAB.

Image-based multi-scale simulation and experimental validation of thermal conductivity of lanthanum zirconate

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

Guo, Xingye; Hu, Bin; Wei, Changdong

Lanthanum zirconate (La2Zr2O7) is a promising candidate material for thermal barrier coating (TBC) applications due to its low thermal conductivity and high-temperature phase stability. In this work, a novel image-based multi-scale simulation framework combining molecular dynamics (MD) and finite element (FE) calculations is proposed to study the thermal conductivity of La2Zr2O7 coatings. Since there is no experimental data of single crystal La2Zr2O7 thermal conductivity, a reverse non-equilibrium molecular dynamics (reverse NEMD) approach is first employed to compute the temperature-dependent thermal conductivity of single crystal La2Zr2O7. The single crystal data is then passed to a FE model which takes into accountmore » of realistic thermal barrier coating microstructures. The predicted thermal conductivities from the FE model are in good agreement with experimental validations using both flash laser technique and pulsed thermal imaging-multilayer analysis. The framework proposed in this work provides a powerful tool for future design of advanced coating systems. (C) 2016 Elsevier Ltd. All rights reserved.« less

Airframe Icing Research Gaps: NASA Perspective

NASA Technical Reports Server (NTRS)

Potapczuk, Mark

2009-01-01

qCurrent Airframe Icing Technology Gaps: Development of a full 3D ice accretion simulation model. Development of an improved simulation model for SLD conditions. CFD modeling of stall behavior for ice-contaminated wings/tails. Computational methods for simulation of stability and control parameters. Analysis of thermal ice protection system performance. Quantification of 3D ice shape geometric characteristics Development of accurate ground-based simulation of SLD conditions. Development of scaling methods for SLD conditions. Development of advanced diagnostic techniques for assessment of tunnel cloud conditions. Identification of critical ice shapes for aerodynamic performance degradation. Aerodynamic scaling issues associated with testing scale model ice shape geometries. Development of altitude scaling methods for thermal ice protections systems. Development of accurate parameter identification methods. Measurement of stability and control parameters for an ice-contaminated swept wing aircraft. Creation of control law modifications to prevent loss of control during icing encounters. 3D ice shape geometries. Collection efficiency data for ice shape geometries. SLD ice shape data, in-flight and ground-based, for simulation verification. Aerodynamic performance data for 3D geometries and various icing conditions. Stability and control parameter data for iced aircraft configurations. Thermal ice protection system data for simulation validation.

Thermal Analysis on Plume Heating of the Main Engine on the Crew Exploration Vehicle Service Module

NASA Technical Reports Server (NTRS)

Wang, Xiao-Yen J.; Yuko, James R.

2007-01-01

The crew exploration vehicle (CEV) service module (SM) main engine plume heating is analyzed using multiple numerical tools. The chemical equilibrium compositions and applications (CEA) code is used to compute the flow field inside the engine nozzle. The plume expansion into ambient atmosphere is simulated using an axisymmetric space-time conservation element and solution element (CE/SE) Euler code, a computational fluid dynamics (CFD) software. The thermal analysis including both convection and radiation heat transfers from the hot gas inside the engine nozzle and gas radiation from the plume is performed using Thermal Desktop. Three SM configurations, Lockheed Martin (LM) designed 604, 605, and 606 configurations, are considered. Design of multilayer insulation (MLI) for the stowed solar arrays, which is subject to plume heating from the main engine, among the passive thermal control system (PTCS), are proposed and validated.

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.

Structurally Integrated Coatings for Wear and Corrosion (SICWC): Arc Lamp, InfraRed (IR) Thermal Processing

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

Mackiewicz-Ludtka, G.; Sebright, J.

2007-12-15

The primary goal of this Cooperative Research and Development Agreement (CRADA) betwe1311 UT-Battelle (Contractor) and Caterpillar Inc. (Participant) was to develop the plasma arc lamp (PAL), infrared (IR) thermal processing technology 1.) to enhance surface coating performance by improving the interfacial bond strength between selected coatings and substrates; and 2.) to extend this technology base for transitioning of the arc lamp processing to the industrial Participant. Completion of the following three key technical tasks (described below) was necessary in order to accomplish this goal. First, thermophysical property data sets were successfully determined for composite coatings applied to 1010 steel substrates,more » with a more limited data set successfully measured for free-standing coatings. These data are necessary for the computer modeling simulations and parametric studies to; A.) simulate PAL IR processing, facilitating the development of the initial processing parameters; and B.) help develop a better understanding of the basic PAL IR fusing process fundamentals, including predicting the influence of melt pool stirring and heat tnmsfar characteristics introduced during plasma arc lamp infrared (IR) processing; Second, a methodology and a set of procedures were successfully developed and the plasma arc lamp (PAL) power profiles were successfully mapped as a function of PAL power level for the ORNL PAL. The latter data also are necessary input for the computer model to accurately simulate PAL processing during process modeling simulations, and to facilitate a better understand of the fusing process fundamentals. Third, several computer modeling codes have been evaluated as to their capabilities and accuracy in being able to capture and simulate convective mixing that may occur during PAL thermal processing. The results from these evaluation efforts are summarized in this report. The intention of this project was to extend the technology base and provide for transitioning of the arc lamp processing to the industrial Participant.« less

Active cooling of microvascular composites for battery packaging

NASA Astrophysics Data System (ADS)

Pety, Stephen J.; Chia, Patrick X. L.; Carrington, Stephen M.; White, Scott R.

2017-10-01

Batteries in electric vehicles (EVs) require a packaging system that provides both thermal regulation and crash protection. A novel packaging scheme is presented that uses active cooling of microvascular carbon fiber reinforced composites to accomplish this multifunctional objective. Microvascular carbon fiber/epoxy composite panels were fabricated and their cooling performance assessed over a range of thermal loads and experimental conditions. Tests were performed for different values of coolant flow rate, channel spacing, panel thermal conductivity, and applied heat flux. More efficient cooling occurs when the coolant flow rate is increased, channel spacing is reduced, and thermal conductivity of the host composite is increased. Computational fluid dynamics (CFD) simulations were also performed and correlate well with the experimental data. CFD simulations of a typical EV battery pack confirm that microvascular composite panels can adequately cool battery cells generating 500 W m-2 heat flux below 40 °C.

Thermal mapping on male genital and skin tissues of laptop thermal sources and electromagnetic interaction.

PubMed

Safari, Mahdi; Mosleminiya, Navid; Abdolali, Ali

2017-10-01

Since the development of communication devices and expansion of their applications, there have been concerns about their harmful health effects. The main aim of this study was to investigate laptop thermal effects caused by exposure to electromagnetic fields and thermal sources simultaneously; propose a nondestructive, replicable process that is less expensive than clinical measurements; and to study the effects of positioning any new device near the human body in steady state conditions to ensure safety by U.S. and European standard thresholds. A computer simulation was designed to obtain laptop heat flux from SolidWorks flow simulation. Increase in body temperature due to heat flux was calculated, and antenna radiation was calculated using Computer Simulation Technology (CST) Microwave Studio software. Steady state temperature and specific absorption rate (SAR) distribution in user's body, and heat flux beneath the laptop, were obtained from simulations. The laptop in its high performance mode caused 420 (W/m 2 ) peak two-dimensional heat flux beneath it. The cumulative effect of laptop in high performance mode and 1 W antenna radiation resulted in temperatures of 42.9, 38.1, and 37.2 °C in lap skin, scrotum, and testis, that is, 5.6, 2.1, and 1.4 °C increase in temperature, respectively. Also, 1 W antenna radiation caused 0.37 × 10 -3 and 0.13 × 10 -1 (W/kg) peak three-dimensional SAR at 2.4 and 5 GHz, respectively, which could be ignored in reference to standards and temperature rise due to laptop use. Bioelectromagnetics. 38:550-558, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

New Approaches to the Computer Simulation of Amorphous Alloys: A Review.

PubMed

Valladares, Ariel A; Díaz-Celaya, Juan A; Galván-Colín, Jonathan; Mejía-Mendoza, Luis M; Reyes-Retana, José A; Valladares, Renela M; Valladares, Alexander; Alvarez-Ramirez, Fernando; Qu, Dongdong; Shen, Jun

2011-04-13

In this work we review our new methods to computer generate amorphous atomic topologies of several binary alloys: SiH, SiN, CN; binary systems based on group IV elements like SiC; the GeSe 2 chalcogenide; aluminum-based systems: AlN and AlSi, and the CuZr amorphous alloy. We use an ab initio approach based on density functionals and computationally thermally-randomized periodically-continued cells with at least 108 atoms. The computational thermal process to generate the amorphous alloys is the undermelt-quench approach, or one of its variants, that consists in linearly heating the samples to just below their melting (or liquidus) temperatures, and then linearly cooling them afterwards. These processes are carried out from initial crystalline conditions using short and long time steps. We find that a step four-times the default time step is adequate for most of the simulations. Radial distribution functions (partial and total) are calculated and compared whenever possible with experimental results, and the agreement is very good. For some materials we report studies of the effect of the topological disorder on their electronic and vibrational densities of states and on their optical properties.

New Approaches to the Computer Simulation of Amorphous Alloys: A Review

PubMed Central

Valladares, Ariel A.; Díaz-Celaya, Juan A.; Galván-Colín, Jonathan; Mejía-Mendoza, Luis M.; Reyes-Retana, José A.; Valladares, Renela M.; Valladares, Alexander; Alvarez-Ramirez, Fernando; Qu, Dongdong; Shen, Jun

2011-01-01

In this work we review our new methods to computer generate amorphous atomic topologies of several binary alloys: SiH, SiN, CN; binary systems based on group IV elements like SiC; the GeSe2 chalcogenide; aluminum-based systems: AlN and AlSi, and the CuZr amorphous alloy. We use an ab initio approach based on density functionals and computationally thermally-randomized periodically-continued cells with at least 108 atoms. The computational thermal process to generate the amorphous alloys is the undermelt-quench approach, or one of its variants, that consists in linearly heating the samples to just below their melting (or liquidus) temperatures, and then linearly cooling them afterwards. These processes are carried out from initial crystalline conditions using short and long time steps. We find that a step four-times the default time step is adequate for most of the simulations. Radial distribution functions (partial and total) are calculated and compared whenever possible with experimental results, and the agreement is very good. For some materials we report studies of the effect of the topological disorder on their electronic and vibrational densities of states and on their optical properties. PMID:28879948

Transient Heat Conduction Simulation around Microprocessor Die

NASA Astrophysics Data System (ADS)

Nishi, Koji

This paper explains about fundamental formula of calculating power consumption of CMOS (Complementary Metal-Oxide-Semiconductor) devices and its voltage and temperature dependency, then introduces equation for estimating power consumption of the microprocessor for notebook PC (Personal Computer). The equation is applied to heat conduction simulation with simplified thermal model and evaluates in sub-millisecond time step calculation. In addition, the microprocessor has two major heat conduction paths; one is from the top of the silicon die via thermal solution and the other is from package substrate and pins via PGA (Pin Grid Array) socket. Even though the dominant factor of heat conduction is the former path, the latter path - from package substrate and pins - plays an important role in transient heat conduction behavior. Therefore, this paper tries to focus the path from package substrate and pins, and to investigate more accurate method of estimating heat conduction paths of the microprocessor. Also, cooling performance expression of heatsink fan is one of key points to assure result with practical accuracy, while finer expression requires more computation resources which results in longer computation time. Then, this paper discusses the expression to minimize computation workload with a practical accuracy of the result.

Measurement and simulation of thermal neutron flux distribution in the RTP core

NASA Astrophysics Data System (ADS)

Rabir, Mohamad Hairie B.; Jalal Bayar, Abi Muttaqin B.; Hamzah, Na'im Syauqi B.; Mustafa, Muhammad Khairul Ariff B.; Karim, Julia Bt. Abdul; Zin, Muhammad Rawi B. Mohamed; Ismail, Yahya B.; Hussain, Mohd Huzair B.; Mat Husin, Mat Zin B.; Dan, Roslan B. Md; Ismail, Ahmad Razali B.; Husain, Nurfazila Bt.; Jalil Khan, Zareen Khan B. Abdul; Yakin, Shaiful Rizaide B. Mohd; Saad, Mohamad Fauzi B.; Masood, Zarina Bt.

2018-01-01

The in-core thermal neutron flux distribution was determined using measurement and simulation methods for the Malaysian’s PUSPATI TRIGA Reactor (RTP). In this work, online thermal neutron flux measurement using Self Powered Neutron Detector (SPND) has been performed to verify and validate the computational methods for neutron flux calculation in RTP calculations. The experimental results were used as a validation to the calculations performed with Monte Carlo code MCNP. The detail in-core neutron flux distributions were estimated using MCNP mesh tally method. The neutron flux mapping obtained revealed the heterogeneous configuration of the core. Based on the measurement and simulation, the thermal flux profile peaked at the centre of the core and gradually decreased towards the outer side of the core. The results show a good agreement (relatively) between calculation and measurement where both show the same radial thermal flux profile inside the core: MCNP model over estimation with maximum discrepancy around 20% higher compared to SPND measurement. As our model also predicts well the neutron flux distribution in the core it can be used for the characterization of the full core, that is neutron flux and spectra calculation, dose rate calculations, reaction rate calculations, etc.

Towards a predictive thermal explosion model for energetic materials

NASA Astrophysics Data System (ADS)

Yoh, Jack J.; McClelland, Matthew A.; Maienschein, Jon L.; Wardell, Jeffrey F.

2005-01-01

We present an overview of models and computational strategies for simulating the thermal response of high explosives using a multi-physics hydrodynamics code, ALE3D. Recent improvements to the code have aided our computational capability in modeling the behavior of energetic materials systems exposed to strong thermal environments such as fires. We apply these models and computational techniques to a thermal explosion experiment involving the slow heating of a confined explosive. The model includes the transition from slow heating to rapid deflagration in which the time scale decreases from days to hundreds of microseconds. Thermal, mechanical, and chemical effects are modeled during all phases of this process. The heating stage involves thermal expansion and decomposition according to an Arrhenius kinetics model while a pressure-dependent burn model is employed during the explosive phase. We describe and demonstrate the numerical strategies employed to make the transition from slow to fast dynamics. In addition, we investigate the sensitivity of wall expansion rates to numerical strategies and parameters. Results from a one-dimensional model show that violence is influenced by the presence of a gap between the explosive and container. In addition, a comparison is made between 2D model and measured results for the explosion temperature and tube wall expansion profiles.

On the collaborative design and simulation of space camera: stop structural/thermal/optical) analysis

NASA Astrophysics Data System (ADS)

Duan, Pengfei; Lei, Wenping

2017-11-01

A number of disciplines (mechanics, structures, thermal, and optics) are needed to design and build Space Camera. Separate design models are normally constructed by each discipline CAD/CAE tools. Design and analysis is conducted largely in parallel subject to requirements that have been levied on each discipline, and technical interaction between the different disciplines is limited and infrequent. As a result a unified view of the Space Camera design across discipline boundaries is not directly possible in the approach above, and generating one would require a large manual, and error-prone process. A collaborative environment that is built on abstract model and performance template allows engineering data and CAD/CAE results to be shared across above discipline boundaries within a common interface, so that it can help to attain speedy multivariate design and directly evaluate optical performance under environment loadings. A small interdisciplinary engineering team from Beijing Institute of Space Mechanics and Electricity has recently conducted a Structural/Thermal/Optical (STOP) analysis of a space camera with this collaborative environment. STOP analysis evaluates the changes in image quality that arise from the structural deformations when the thermal environment of the camera changes throughout its orbit. STOP analyses were conducted for four different test conditions applied during final thermal vacuum (TVAC) testing of the payload on the ground. The STOP Simulation Process begins with importing an integrated CAD model of the camera geometry into the collaborative environment, within which 1. Independent thermal and structural meshes are generated. 2. The thermal mesh and relevant engineering data for material properties and thermal boundary conditions are then used to compute temperature distributions at nodal points in both the thermal and structures mesh through Thermal Desktop, a COTS thermal design and analysis code. 3. Thermally induced structural deformations of the camera are then evaluated in Nastran, an industry standard code for structural design and analysis. 4. Thermal and structural results are next imported into SigFit, another COTS tool that computes deformation and best fit rigid body displacements for the optical surfaces. 5. SigFit creates a modified optical prescription that is imported into CODE V for evaluation of optical performance impacts. The integrated STOP analysis was validated using TVAC test data. For the four different TVAC tests, the relative errors between simulation and test data of measuring points temperatures were almost around 5%, while in some test conditions, they were even much lower to 1%. As to image quality MTF, relative error between simulation and test was 8.3% in the worst condition, others were all below 5%. Through the validation, it has been approved that the collaborative design and simulation environment can achieved the integrated STOP analysis of Space Camera efficiently. And further, the collaborative environment allows an interdisciplinary analysis that formerly might take several months to perform to be completed in two or three weeks, which is very adaptive to scheme demonstration of projects in earlier stages.

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.

Study on the CFD simulation of refrigerated container

NASA Astrophysics Data System (ADS)

Arif Budiyanto, Muhammad; Shinoda, Takeshi; Nasruddin

2017-10-01

The objective this study is to performed Computational Fluid Dynamic (CFD) simulation of refrigerated container in the container port. Refrigerated container is a thermal cargo container constructed from an insulation wall to carry kind of perishable goods. CFD simulation was carried out use cross sectional of container walls to predict surface temperatures of refrigerated container and to estimate its cooling load. The simulation model is based on the solution of the partial differential equations governing the fluid flow and heat transfer processes. The physical model of heat-transfer processes considered in this simulation are consist of solar radiation from the sun, heat conduction on the container walls, heat convection on the container surfaces and thermal radiation among the solid surfaces. The validation of simulation model was assessed uses surface temperatures at center points on each container walls obtained from the measurement experimentation in the previous study. The results shows the surface temperatures of simulation model has good agreement with the measurement data on all container walls.

Computational Design of Non-natural Sugar Alcohols to Increase Thermal Storage Density: Beyond Existing Organic Phase Change Materials.

PubMed

Inagaki, Taichi; Ishida, Toyokazu

2016-09-14

Thermal storage, a technology that enables us to control thermal energy, makes it possible to reuse a huge amount of waste heat, and materials with the ability to treat larger thermal energy are in high demand for energy-saving societies. Sugar alcohols are now one promising candidate for phase change materials (PCMs) because of their large thermal storage density. In this study, we computationally design experimentally unknown non-natural sugar alcohols and predict their thermal storage density as a basic step toward the development of new high performance PCMs. The non-natural sugar alcohol molecules are constructed in silico in accordance with the previously suggested molecular design guidelines: linear elongation of a carbon backbone, separated distribution of OH groups, and even numbers of carbon atoms. Their crystal structures are then predicted using the random search method and first-principles calculations. Our molecular simulation results clearly demonstrate that the non-natural sugar alcohols have potential ability to have thermal storage density up to ∼450-500 kJ/kg, which is significantly larger than the maximum thermal storage density of the present known organic PCMs (∼350 kJ/kg). This computational study suggests that, even in the case of H-bonded molecular crystals where the electrostatic energy contributes mainly to thermal storage density, the molecular distortion and van der Waals energies are also important factors to increase thermal storage density. In addition, the comparison between the three eight-carbon non-natural sugar alcohol isomers indicates that the selection of preferable isomers is also essential for large thermal storage density.

Thermal conductivity of nanocrystalline SiGe alloys using molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Abs da Cruz, Carolina; Katcho, Nebil A.; Mingo, Natalio; Veiga, Roberto G. A.

2013-10-01

We have studied the effect of nanocrystalline microstructure on the thermal conductivity of SiGe alloys using molecular dynamics simulations. Nanograins are modeled using both the coincidence site lattice and the Voronoi tessellation methods, and the thermal conductivity is computed using the Green-Kubo formalism. We analyze the dependence of the thermal conductivity with temperature, grain size L, and misorientation angle. We find a power dependence of L1/4 of the thermal conductivity with the grain size, instead of the linear dependence shown by non-alloyed nanograined systems. This dependence can be derived analytically underlines the important role that disorder scattering plays even when the grains are of the order of a few nm. This is in contrast to non-alloyed systems, where phonon transport is governed mainly by the boundary scattering. The temperature dependence is weak, in agreement with experimental measurements. The effect of angle misorientation is also small, which stresses the main role played by the disorder scattering.

Optical clearing of vaginal tissues

NASA Astrophysics Data System (ADS)

Chang, Chun-Hung; Myers, Erinn M.; Kennelly, Michael J.; Fried, Nathaniel M.

2017-02-01

Near-IR laser energy in conjunction with applied tissue cooling is being investigated for thermal remodeling of endopelvic fascia during minimally invasive treatment of female stress urinary incontinence. Previous simulations of light transport, heat transfer, and tissue thermal damage have shown that a transvaginal approach is more feasible than a transurethral approach. However, undesirable thermal insult to vaginal wall was predicted. This study explores whether an optical clearing agent (OCA) can improve optical penetration depth and completely preserve vaginal wall during subsurface treatment of endopelvic fascia. Several OCA mixtures were tested, and 100% glycerol was found to be optimal. Optical transmission studies, optical coherence tomography, reflection spectroscopy, and computer simulations of thermal damage to tissue using glycerol were performed. The OCA produced a 61% increase in optical transmission through porcine vaginal wall at 37 °C after 30 min. Monte Carlo (MC) light transport, heat transfer, and Arrhenius integral thermal damage simulations were performed. MC model showed improved energy deposition in endopelvic fascia using OCA. Without OCA, 62, 37, and 1% of energy was deposited in vaginal wall, endopelvic fascia, and urethral wall, compared with 50, 49, and 1% with OCA. Use of OCA also yielded 0.5 mm increase in treatment depth, allowing potential thermal tissue remodeling at 3 mm depth.

Dynamic thermal characteristics of heat pipe via segmented thermal resistance model for electric vehicle battery cooling

NASA Astrophysics Data System (ADS)

Liu, Feifei; Lan, Fengchong; Chen, Jiqing

2016-07-01

Heat pipe cooling for battery thermal management systems (BTMSs) in electric vehicles (EVs) is growing due to its advantages of high cooling efficiency, compact structure and flexible geometry. Considering the transient conduction, phase change and uncertain thermal conditions in a heat pipe, it is challenging to obtain the dynamic thermal characteristics accurately in such complex heat and mass transfer process. In this paper, a ;segmented; thermal resistance model of a heat pipe is proposed based on thermal circuit method. The equivalent conductivities of different segments, viz. the evaporator and condenser of pipe, are used to determine their own thermal parameters and conditions integrated into the thermal model of battery for a complete three-dimensional (3D) computational fluid dynamics (CFD) simulation. The proposed ;segmented; model shows more precise than the ;non-segmented; model by the comparison of simulated and experimental temperature distribution and variation of an ultra-thin micro heat pipe (UMHP) battery pack, and has less calculation error to obtain dynamic thermal behavior for exact thermal design, management and control of heat pipe BTMSs. Using the ;segmented; model, the cooling effect of the UMHP pack with different natural/forced convection and arrangements is predicted, and the results correspond well to the tests.

Integration of symbolic and algorithmic hardware and software for the automation of space station subsystems

NASA Technical Reports Server (NTRS)

Gregg, Hugh; Healey, Kathleen; Hack, Edmund; Wong, Carla

1988-01-01

Expert systems that require access to data bases, complex simulations and real time instrumentation have both symbolic and algorithmic needs. Both of these needs could be met using a general purpose workstation running both symbolic and algorithmic codes, or separate, specialized computers networked together. The later approach was chosen to implement TEXSYS, the thermal expert system, developed by the NASA Ames Research Center in conjunction with the Johnson Space Center to demonstrate the ability of an expert system to autonomously monitor the thermal control system of the space station. TEXSYS has been implemented on a Symbolics workstation, and will be linked to a microVAX computer that will control a thermal test bed. The integration options and several possible solutions are presented.

Adaptive Time Stepping for Transient Network Flow Simulation in Rocket Propulsion Systems

NASA Technical Reports Server (NTRS)

Majumdar, Alok K.; Ravindran, S. S.

2017-01-01

Fluid and thermal transients found in rocket propulsion systems such as propellant feedline system is a complex process involving fast phases followed by slow phases. Therefore their time accurate computation requires use of short time step initially followed by the use of much larger time step. Yet there are instances that involve fast-slow-fast phases. In this paper, we present a feedback control based adaptive time stepping algorithm, and discuss its use in network flow simulation of fluid and thermal transients. The time step is automatically controlled during the simulation by monitoring changes in certain key variables and by feedback. In order to demonstrate the viability of time adaptivity for engineering problems, we applied it to simulate water hammer and cryogenic chill down in pipelines. Our comparison and validation demonstrate the accuracy and efficiency of this adaptive strategy.

Transient thermal, hydraulic, and mechanical analysis of a counter flow offset strip fin intermediate heat exchanger using an effective porous media approach

NASA Astrophysics Data System (ADS)

Urquiza, Eugenio

This work presents a comprehensive thermal hydraulic analysis of a compact heat exchanger using offset strip fins. The thermal hydraulics analysis in this work is followed by a finite element analysis (FEA) to predict the mechanical stresses experienced by an intermediate heat exchanger (IHX) during steady-state operation and selected flow transients. In particular, the scenario analyzed involves a gas-to-liquid IHX operating between high pressure helium and liquid or molten salt. In order to estimate the stresses in compact heat exchangers a comprehensive thermal and hydraulic analysis is needed. Compact heat exchangers require very small flow channels and fins to achieve high heat transfer rates and thermal effectiveness. However, studying such small features computationally contributes little to the understanding of component level phenomena and requires prohibitive computational effort using computational fluid dynamics (CFD). To address this issue, the analysis developed here uses an effective porous media (EPM) approach; this greatly reduces the computation time and produces results with the appropriate resolution [1]. This EPM fluid dynamics and heat transfer computational code has been named the Compact Heat Exchanger Explicit Thermal and Hydraulics (CHEETAH) code. CHEETAH solves for the two-dimensional steady-state and transient temperature and flow distributions in the IHX including the complicating effects of temperature-dependent fluid thermo-physical properties. Temperature- and pressure-dependent fluid properties are evaluated by CHEETAH and the thermal effectiveness of the IHX is also calculated. Furthermore, the temperature distribution can then be imported into a finite element analysis (FEA) code for mechanical stress analysis using the EPM methods developed earlier by the University of California, Berkeley, for global and local stress analysis [2]. These simulation tools will also allow the heat exchanger design to be improved through an iterative design process which will lead to a design with a reduced pressure drop, increased thermal effectiveness, and improved mechanical performance as it relates to creep deformation and transient thermal stresses.

Development of a Aerothermoelastic-Acoustics Simulation Capability of Flight Vehicles

NASA Technical Reports Server (NTRS)

Gupta, K. K.; Choi, S. B.; Ibrahim, A.

2010-01-01

A novel numerical, finite element based analysis methodology is presented in this paper suitable for accurate and efficient simulation of practical, complex flight vehicles. An associated computer code, developed in this connection, is also described in some detail. Thermal effects of high speed flow obtained from a heat conduction analysis are incorporated in the modal analysis which in turn affects the unsteady flow arising out of interaction of elastic structures with the air. Numerical examples pertaining to representative problems are given in much detail testifying to the efficacy of the advocated techniques. This is a unique implementation of temperature effects in a finite element CFD based multidisciplinary simulation analysis capability involving large scale computations.

Computational simulation of weld microstructure and distortion by considering process mechanics

NASA Astrophysics Data System (ADS)

Mochizuki, M.; Mikami, Y.; Okano, S.; Itoh, S.

2009-05-01

Highly precise fabrication of welded materials is in great demand, and so microstructure and distortion controls are essential. Furthermore, consideration of process mechanics is important for intelligent fabrication. In this study, the microstructure and hardness distribution in multi-pass weld metal are evaluated by computational simulations under the conditions of multiple heat cycles and phase transformation. Because conventional CCT diagrams of weld metal are not available even for single-pass weld metal, new diagrams for multi-pass weld metals are created. The weld microstructure and hardness distribution are precisely predicted when using the created CCT diagram for multi-pass weld metal and calculating the weld thermal cycle. Weld distortion is also investigated by using numerical simulation with a thermal elastic-plastic analysis. In conventional evaluations of weld distortion, the average heat input has been used as the dominant parameter; however, it is difficult to consider the effect of molten pool configurations on weld distortion based only on the heat input. Thus, the effect of welding process conditions on weld distortion is studied by considering molten pool configurations, determined by temperature distribution and history.

Unfolding of Proteins: Thermal and Mechanical Unfolding

NASA Technical Reports Server (NTRS)

Hur, Joe S.; Darve, Eric

2004-01-01

We have employed a Hamiltonian model based on a self-consistent Gaussian appoximation to examine the unfolding process of proteins in external - both mechanical and thermal - force elds. The motivation was to investigate the unfolding pathways of proteins by including only the essence of the important interactions of the native-state topology. Furthermore, if such a model can indeed correctly predict the physics of protein unfolding, it can complement more computationally expensive simulations and theoretical work. The self-consistent Gaussian approximation by Micheletti et al. has been incorporated in our model to make the model mathematically tractable by signi cantly reducing the computational cost. All thermodynamic properties and pair contact probabilities are calculated by simply evaluating the values of a series of Incomplete Gamma functions in an iterative manner. We have compared our results to previous molecular dynamics simulation and experimental data for the mechanical unfolding of the giant muscle protein Titin (1TIT). Our model, especially in light of its simplicity and excellent agreement with experiment and simulation, demonstrates the basic physical elements necessary to capture the mechanism of protein unfolding in an external force field.

Ab initio parameterization of a charge optimized many-body forcefield for Si-SiO2: Validation and thermal transport in nanostructures.

PubMed

France-Lanord, Arthur; Soukiassian, Patrick; Glattli, Christian; Wimmer, Erich

2016-03-14

In an effort to extend the reach of current ab initio calculations to simulations requiring millions of configurations for complex systems such as heterostructures, we have parameterized the third-generation Charge Optimized Many-Body (COMB3) potential using solely ab initio total energies, forces, and stress tensors as input. The quality and the predictive power of the new forcefield are assessed by computing properties including the cohesive energy and density of SiO2 polymorphs, surface energies of alpha-quartz, and phonon densities of states of crystalline and amorphous phases of SiO2. Comparison with data from experiments, ab initio calculations, and molecular dynamics simulations using published forcefields including BKS (van Beest, Kramer, and van Santen), ReaxFF, and COMB2 demonstrates an overall improvement of the new parameterization. The computed temperature dependence of the thermal conductivity of crystalline alpha-quartz and the Kapitza resistance of the interface between crystalline Si(001) and amorphous silica is in excellent agreement with experiment, setting the stage for simulations of complex nanoscale heterostructures.

Accelerating the design of solar thermal fuel materials through high throughput simulations.

PubMed

Liu, Yun; Grossman, Jeffrey C

2014-12-10

Solar thermal fuels (STF) store the energy of sunlight, which can then be released later in the form of heat, offering an emission-free and renewable solution for both solar energy conversion and storage. However, this approach is currently limited by the lack of low-cost materials with high energy density and high stability. In this Letter, we present an ab initio high-throughput computational approach to accelerate the design process and allow for searches over a broad class of materials. The high-throughput screening platform we have developed can run through large numbers of molecules composed of earth-abundant elements and identifies possible metastable structures of a given material. Corresponding isomerization enthalpies associated with the metastable structures are then computed. Using this high-throughput simulation approach, we have discovered molecular structures with high isomerization enthalpies that have the potential to be new candidates for high-energy density STF. We have also discovered physical principles to guide further STF materials design through structural analysis. More broadly, our results illustrate the potential of using high-throughput ab initio simulations to design materials that undergo targeted structural transitions.

Improved non-local electron thermal transport model for two-dimensional radiation hydrodynamics simulations

NASA Astrophysics Data System (ADS)

Cao, Duc; Moses, Gregory; Delettrez, Jacques

2015-08-01

An implicit, non-local thermal conduction algorithm based on the algorithm developed by Schurtz, Nicolai, and Busquet (SNB) [Schurtz et al., Phys. Plasmas 7, 4238 (2000)] for non-local electron transport is presented and has been implemented in the radiation-hydrodynamics code DRACO. To study the model's effect on DRACO's predictive capability, simulations of shot 60 303 from OMEGA are completed using the iSNB model, and the computed shock speed vs. time is compared to experiment. Temperature outputs from the iSNB model are compared with the non-local transport model of Goncharov et al. [Phys. Plasmas 13, 012702 (2006)]. Effects on adiabat are also examined in a polar drive surrogate simulation. Results show that the iSNB model is not only capable of flux-limitation but also preheat prediction while remaining numerically robust and sacrificing little computational speed. Additionally, the results provide strong incentive to further modify key parameters within the SNB theory, namely, the newly introduced non-local mean free path. This research was supported by the Laboratory for Laser Energetics of the University of Rochester.

Multidisciplinary analysis and design of printed wiring boards

NASA Astrophysics Data System (ADS)

Fulton, Robert E.; Hughes, Joseph L.; Scott, Waymond R., Jr.; Umeagukwu, Charles; Yeh, Chao-Pin

1991-04-01

Modern printed wiring board design depends on electronic prototyping using computer-based simulation and design tools. Existing electrical computer-aided design (ECAD) tools emphasize circuit connectivity with only rudimentary analysis capabilities. This paper describes a prototype integrated PWB design environment denoted Thermal Structural Electromagnetic Testability (TSET) being developed at Georgia Tech in collaboration with companies in the electronics industry. TSET provides design guidance based on enhanced electrical and mechanical CAD capabilities including electromagnetic modeling testability analysis thermal management and solid mechanics analysis. TSET development is based on a strong analytical and theoretical science base and incorporates an integrated information framework and a common database design based on a systematic structured methodology.

International Instrumentation Symposium, 38th, Las Vegas, NV, Apr. 26-30, 1992, Proceedings

NASA Astrophysics Data System (ADS)

The present volume on aerospace instrumentation discusses computer applications, blast and shock, implementation of the Clean Air Act amendments, and thermal systems. Attention is given to measurement uncertainty/flow measurement, data acquisition and processing, force/acceleration/motion measurements, and hypersonics/reentry vehicle systems. Topics addressed include wind tunnels, real time systems, and pressure effects. Also discussed are a distributed data and control system for space simulation and thermal testing a stepwise shockwave velocity determinator, computer tracking and decision making, the use of silicon diodes for detecting the liquid-vapor interface in hydrogen, and practical methods for analysis of uncertainty propagation.

Unsteady conjugate heat transfer analysis for impinging jet cooling

NASA Astrophysics Data System (ADS)

Tejero, F.; Flaszyński, P.; Szwaba, R.; Telega, J.

2016-10-01

The paper presents the numerical investigations of the heat transfer on a flat plate cooled by a single impinging jet. The thermal conductivity of the plate was modified from a high thermal case (steel -λ= 35 W/m/K) to a low one (steel alloy Inconel -λ= 9.8 W/m/K). The numerical simulations results are compared with the experimental data from the Institute of Fluid-Flow Machinery Polish Academy of Sciences, Gdansk (Poland). The numerical simulations are carried out by means of Ansys/Fluent and k-ω SST turbulence model and the temperature evolution on the target plate is investigated by conjugated heat transfer computations.

Thermal analysis of radiometer containers for the 122m hoop column antenna concept

NASA Technical Reports Server (NTRS)

Dillon-Townes, L. A.

1986-01-01

A thermal analysis was conducted for the 122 Meter Hoop Column Antenna (HCA) Radiometer electronic package containers. The HCA radiometer containers were modeled using the computer aided graphics program, ANVIL 4000, and thermally simulated using two thermal programs, TRASYS and MITAS. The results of the analysis provided relationships between the absorptance-emittance ratio and the average surface temperature of the orbiting radiometer containers. These relationships can be used to specify the surface properties, absorptance and reflectance, of the radiometer containers. This is an initial effort in determining the passive thermal protection needs for the 122 m HCA radiometer containers. Several recommendations are provided which expand this effort so specific passive and active thermal protection systems can be defined and designed.

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.

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

Computer modeling of the combined effects of perfusion, electrical conductivity, and thermal conductivity on tissue heating patterns in radiofrequency tumor ablation.

PubMed

Ahmed, Muneeb; Liu, Zhengjun; Humphries, Stanley; Goldberg, S Nahum

2008-11-01

To use an established computer simulation model of radiofrequency (RF) ablation to characterize the combined effects of varying perfusion, and electrical and thermal conductivity on RF heating. Two-compartment computer simulation of RF heating using 2-D and 3-D finite element analysis (ETherm) was performed in three phases (n = 88 matrices, 144 data points each). In each phase, RF application was systematically modeled on a clinically relevant template of application parameters (i.e., varying tumor and surrounding tissue perfusion: 0-5 kg/m(3)-s) for internally cooled 3 cm single and 2.5 cm cluster electrodes for tumor diameters ranging from 2-5 cm, and RF application times (6-20 min). In the first phase, outer thermal conductivity was changed to reflect three common clinical scenarios: soft tissue, fat, and ascites (0.5, 0.23, and 0.7 W/m- degrees C, respectively). In the second phase, electrical conductivity was changed to reflect different tumor electrical conductivities (0.5 and 4.0 S/m, representing soft tissue and adjuvant saline injection, respectively) and background electrical conductivity representing soft tissue, lung, and kidney (0.5, 0.1, and 3.3 S/m, respectively). In the third phase, the best and worst combinations of electrical and thermal conductivity characteristics were modeled in combination. Tissue heating patterns and the time required to heat the entire tumor +/-a 5 mm margin to >50 degrees C were assessed. Increasing background tissue thermal conductivity increases the time required to achieve a 50 degrees C isotherm for all tumor sizes and electrode types, but enabled ablation of a given tumor size at higher tissue perfusions. An inner thermal conductivity equivalent to soft tissue (0.5 W/m- degrees C) surrounded by fat (0.23 W/m- degrees C) permitted the greatest degree of tumor heating in the shortest time, while soft tissue surrounded by ascites (0.7 W/m- degrees C) took longer to achieve the 50 degrees C isotherm, and complete ablation could not be achieved at higher inner/outer perfusions (>4 kg/m(3)-s). For varied electrical conductivities in the setting of varied perfusion, greatest RF heating occurred for inner electrical conductivities simulating injection of saline around the electrode with an outer electrical conductivity of soft tissue, and the least amount of heating occurring while simulating renal cell carcinoma in normal kidney. Characterization of these scenarios demonstrated the role of electrical and thermal conductivity interactions, with the greatest differences in effect seen in the 3-4 cm tumor range, as almost all 2 cm tumors and almost no 5 cm tumors could be treated. Optimal combinations of thermal and electrical conductivity can partially negate the effect of perfusion. For clinically relevant tumor sizes, thermal and electrical conductivity impact which tumors can be successfully ablated even in the setting of almost non-existent perfusion.

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.

Computer simulation of low-temperature composites sintering processes for additive technologies

NASA Astrophysics Data System (ADS)

Tovpinets, A. O.; Leytsin, V. N.; Dmitrieva, M. A.

2017-12-01

This is impact research of mixture raw components characteristics on the low-temperature composites structure formation during the sintering process. The obtained results showed that the structure determination of initial compacts obtained after thermal destruction of the polymer binder lets quantify the concentrations of main components and the refractory crystalline product of thermal destruction. Accounting for the distribution of thermal destruction refractory product allows us to refine the forecast of thermal stresses in the matrix of sintered composite. The presented results can be considered as a basis for optimization of initial compositions of multilayer low-temperature composites obtained by additive technologies.

Transport and Dynamics in Toroidal Fusion Systems

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

Schnack, Dalton D

2006-05-16

This document reports the successful completion of the OFES Theory Milestone for FY2005, namely, Perform parametric studies to better understand the edge physics regimes of laboratory experiments. Simulate at increased resolution (up to 20 toroidal modes), with density evolution, late into the nonlinear phase and compare results from different types of edge modes. Simulate a single case including a study of heat deposition on nearby material walls. The linear stability properties and nonlinear evolution of Edge Localized Modes (ELMs) in tokamak plasmas are investigated through numerical computation. Data from the DIII-D device at General Atomics (http://fusion.gat.com/diii-d/) is used for themore » magnetohydrodynamic (MHD) equilibria, but edge parameters are varied to reveal important physical effects. The equilibrium with very low magnetic shear produces an unstable spectrum that is somewhat insensitive to dissipation coefficient values. Here, linear growth rates from the non-ideal NIMROD code (http://nimrodteam.org) agree reasonably well with ideal, i.e. non-dissipative, results from the GATO global linear stability code at low toroidal mode number (n) and with ideal results from the ELITE edge linear stability code at moderate to high toroidal mode number. Linear studies with a more realistic sequence of MHD equilibria (based on DIII-D discharge 86166) produce more significant discrepancies between the ideal and non-ideal calculations. The maximum growth rate for the ideal computations occurs at toroidal mode index n=10, whereas growth rates in the non-ideal computations continue to increase with n unless strong anisotropic thermal conduction is included. Recent modeling advances allow drift effects associated with the Hall electric field and gyroviscosity to be considered. A stabilizing effect can be observed in the preliminary results, but while the distortion in mode structure is readily apparent at n=40, the growth rate is only 13% less than the non-ideal MHD result. Computations performed with a non-local kinetic closure for parallel electron thermal conduction that is valid over all collisionality regimes identify thermal diffusivity ratios of {chi}{sub ||}/{chi}{sub {perpendicular}} ~ 10{sup 7} - 10{sup 8} as appropriate when using collisional heat flux modeling for these modes. Adding significant parallel viscosity proves to have little effect. Nonlinear ELM computations solve the resistive MHD model with toroidal resolution 0{<=}n{<=}21, including anisotropic thermal conduction, temperature-dependent resistivity, and number density evolution. The computations are based on a realistic equilibrium with high pedestal temperature from the linear study. When the simulated ELM grows to appreciable amplitude, ribbon-like thermal structures extend from the separatrix to the wall as the spectrum broadens about a peak at n=13. Analysis of the results finds the heat flux on the wall to be very nonuniform with greatest intensity occurring in spots on the top and bottom of the chamber. Net thermal energy loss occurs on a time-scale of 100 {micro}s, and the instantaneous loss rate exceeds 1 GW.« less

Characterizing and modeling organic binder burnout from green ceramic compacts

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

Ewsuk, K.G.; Cesarano, J. III; Cochran, R.J.

New characterization and computational techniques have been developed to evaluate and simulate binder burnout from pressed powder compacts. Using engineering data and a control volume finite element method (CVFEM) thermal model, a nominally one dimensional (1-D) furnace has been designed to test, refine, and validate computer models that simulate binder burnout assuming a 1-D thermal gradient across the ceramic body during heating. Experimentally, 1-D radial heat flow was achieved using a rod-shaped heater that directly heats the inside surface of a stack of ceramic annuli surrounded by thermal insulation. The computational modeling effort focused on producing a macroscopic model formore » binder burnout based on continuum approaches to heat and mass conservation for porous media. Two increasingly complex models have been developed that predict the temperature and mass of a porous powder compact as a function of time during binder burnout. The more complex model also predicts the pressure within a powder compact during binder burnout. Model predictions are in reasonably good agreement with experimental data on binder burnout from a 57--65% relative density pressed powder compact of a 94 wt% alumina body containing {approximately}3 wt% binder. In conjunction with the detailed experimental data from the prototype binder burnout furnace, the models have also proven useful for conducting parametric studies to elucidate critical i-material property data required to support model development.« less

The Mobile Chamber

NASA Technical Reports Server (NTRS)

Scharfstein, Gregory; Cox, Russell

2012-01-01

A document discusses a simulation chamber that represents a shift from the thermal-vacuum chamber stereotype. This innovation, currently in development, combines the capabilities of space simulation chambers, the user-friendliness of modern-day electronics, and the modularity of plug-and-play computing. The Mobile Chamber is a customized test chamber that can be deployed with great ease, and is capable of bringing payloads at temperatures down to 20 K, in high vacuum, and with the desired metrology instruments integrated to the systems control. Flexure plans to lease Mobile Chambers, making them affordable for smaller budgets and available to a larger customer base. A key feature of this design will be an Apple iPad-like user interface that allows someone with minimal training to control the environment inside the chamber, and to simulate the required extreme environments. The feedback of thermal, pressure, and other measurements is delivered in a 3D CAD model of the chamber's payload and support hardware. This GUI will provide the user with a better understanding of the payload than any existing thermal-vacuum system.

Numerical Simulation of the Effects of Water Surface in Building Environment

NASA Astrophysics Data System (ADS)

Li, Guangyao; Pan, Yuqing; Yang, Li

2018-03-01

Water body could affect the thermal environment and airflow field in the building districts, because of its special thermal characteristics, evaporation and flat surface. The thermal influence of water body in Tongji University Jiading Campus front area was evaluated. First, a suitable evaporation model was selected and then was applied to calculate the boundary conditions of the water surface in the Fluent software. Next, the computational fluid dynamics (CFD) simulations were conducted on the models both with and without water, following the CFD practices guidelines. Finally, the outputs of the two simulations were compared with each other. Results showed that the effect of evaporative cooling from water surface strongly depends on the wind direction and temperature decrease was about 2∼5°C. The relative humidity within the enclosing area was affected by both the building arrangement and surrounding water. An increase of about 0.1∼0.2m/s of wind speed induced by the water evaporation was observed in the open space.

Modeling of an 8-12 GHz receiver front-end based on an in-line MEMS frequency discriminator

NASA Astrophysics Data System (ADS)

Chu, Chenlei; Liao, Xiaoping

2018-06-01

This paper focuses on the modeling of an 8-12 GHz RF (radio frequency) receiver front-end based on an in-line MEMS (microelectromechanical systems) frequency discriminator. Actually, the frequency detection is realized by measuring the output dc thermal voltage generated by the MEMS thermoelectric power sensor. Based on this thermal voltage, it has a great potential to tune the resonant frequency of the VCO (voltage controlled oscillator) in the RF receiver front-end application. The equivalent circuit model of the in-line frequency discriminator is established and the measurement verification is also implemented. Measurement and simulation results show that the output dc thermal voltage has a nearly linear relation with frequency. A new construction of RF receiver front-end is then obtained by connecting the in-line frequency discriminator with the voltage controlling port of VCO. Lastly, a systemic simulation is processed by computer-aided software and the real-time simulation waveform at each key point is observed clearly.

Coupled multi-disciplinary composites behavior simulation

NASA Technical Reports Server (NTRS)

Singhal, Surendra N.; Murthy, Pappu L. N.; Chamis, Christos C.

1993-01-01

The capabilities of the computer code CSTEM (Coupled Structural/Thermal/Electro-Magnetic Analysis) are discussed and demonstrated. CSTEM computationally simulates the coupled response of layered multi-material composite structures subjected to simultaneous thermal, structural, vibration, acoustic, and electromagnetic loads and includes the effect of aggressive environments. The composite material behavior and structural response is determined at its various inherent scales: constituents (fiber/matrix), ply, laminate, and structural component. The thermal and mechanical properties of the constituents are considered to be nonlinearly dependent on various parameters such as temperature and moisture. The acoustic and electromagnetic properties also include dependence on vibration and electromagnetic wave frequencies, respectively. The simulation is based on a three dimensional finite element analysis in conjunction with composite mechanics and with structural tailoring codes, and with acoustic and electromagnetic analysis methods. An aircraft engine composite fan blade is selected as a typical structural component to demonstrate the CSTEM capabilities. Results of various coupled multi-disciplinary heat transfer, structural, vibration, acoustic, and electromagnetic analyses for temperature distribution, stress and displacement response, deformed shape, vibration frequencies, mode shapes, acoustic noise, and electromagnetic reflection from the fan blade are discussed for their coupled effects in hot and humid environments. Collectively, these results demonstrate the effectiveness of the CSTEM code in capturing the coupled effects on the various responses of composite structures subjected to simultaneous multiple real-life loads.

Thermal performance of complex fenestration systems

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

Carpenter, S.C.; Elmahdy, A.H.

1994-12-31

The thermal performance (i.e., U-factor) of four complex fenestration systems is examined using computer simulation tools and guarded hot box testing. The systems include a flat glazed skylight, a domed or bubble skylight, a greenhouse window, and a curtain wall. The extra care required in performing simulation and testing of these complex products is described. There was good agreement (within 10%) between test and simulation for two of the four products. The agreement was slightly poorer (maximum difference of 16%) for the two high-heat-transfer products: the domed skylight and the greenhouse window. Possible causes for the larger discrepancy in thesemore » projecting window products are uncertainties in the inside and outside film coefficients and lower warm-side air temperatures because of stagnant airflow.« less

Simulated Data for High Temperature Composite Design

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Abumeri, Galib H.

2006-01-01

The paper describes an effective formal method that can be used to simulate design properties for composites that is inclusive of all the effects that influence those properties. This effective simulation method is integrated computer codes that include composite micromechanics, composite macromechanics, laminate theory, structural analysis, and multi-factor interaction model. Demonstration of the method includes sample examples for static, thermal, and fracture reliability for a unidirectional metal matrix composite as well as rupture strength and fatigue strength for a high temperature super alloy. Typical results obtained for a unidirectional composite show that the thermal properties are more sensitive to internal local damage, the longitudinal properties degrade slowly with temperature, the transverse and shear properties degrade rapidly with temperature as do rupture strength and fatigue strength for super alloys.

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)

Simulation of the Effects of Cooling Techniques on Turbine Blade Heat Transfer

NASA Astrophysics Data System (ADS)

Shaw, Vince; Fatuzzo, Marco

Increases in the performance demands of turbo machinery has stimulated the development many new technologies over the last half century. With applications that spread beyond marine, aviation, and power generation, improvements in gas turbine technologies provide a vast impact. High temperatures within the combustion chamber of the gas turbine engine are known to cause an increase in thermal efficiency and power produced by the engine. However, since operating temperatures of these engines reach above 1000 K within the turbine section, the need for advances in material science and cooling techniques to produce functioning engines under these high thermal and dynamic stresses is crucial. As with all research and development, costs related to the production of prototypes can be reduced through the use of computational simulations. By making use of Ansys Simulation Software, the effects of turbine cooling techniques were analyzed. Simulation of the Effects of Cooling Techniques on Turbine Blade Heat Transfer.

Validation of NASA Thermal Ice Protection Computer Codes. Part 1; Program Overview

NASA Technical Reports Server (NTRS)

Miller, Dean; Bond, Thomas; Sheldon, David; Wright, William; Langhals, Tammy; Al-Khalil, Kamel; Broughton, Howard

1996-01-01

The Icing Technology Branch at NASA Lewis has been involved in an effort to validate two thermal ice protection codes developed at the NASA Lewis Research Center. LEWICE/Thermal (electrothermal deicing & anti-icing), and ANTICE (hot-gas & electrothermal anti-icing). The Thermal Code Validation effort was designated as a priority during a 1994 'peer review' of the NASA Lewis Icing program, and was implemented as a cooperative effort with industry. During April 1996, the first of a series of experimental validation tests was conducted in the NASA Lewis Icing Research Tunnel(IRT). The purpose of the April 96 test was to validate the electrothermal predictive capabilities of both LEWICE/Thermal, and ANTICE. A heavily instrumented test article was designed and fabricated for this test, with the capability of simulating electrothermal de-icing and anti-icing modes of operation. Thermal measurements were then obtained over a range of test conditions, for comparison with analytical predictions. This paper will present an overview of the test, including a detailed description of: (1) the validation process; (2) test article design; (3) test matrix development; and (4) test procedures. Selected experimental results will be presented for de-icing and anti-icing modes of operation. Finally, the status of the validation effort at this point will be summarized. Detailed comparisons between analytical predictions and experimental results are contained in the following two papers: 'Validation of NASA Thermal Ice Protection Computer Codes: Part 2- The Validation of LEWICE/Thermal' and 'Validation of NASA Thermal Ice Protection Computer Codes: Part 3-The Validation of ANTICE'

Development of NSSS Thermal-Hydraulic Model for KNPEC-2 Simulator Using the Best-Estimate Code RETRAN-3D

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

Kim, Kyung-Doo; Jeong, Jae-Jun; Lee, Seung-Wook

The Nuclear Steam Supply System (NSSS) thermal-hydraulic model adopted in the Korea Nuclear Plant Education Center (KNPEC)-2 simulator was provided in the early 1980s. The reference plant for KNPEC-2 is the Yong Gwang Nuclear Unit 1, which is a Westinghouse-type 3-loop, 950 MW(electric) pressurized water reactor. Because of the limited computational capability at that time, it uses overly simplified physical models and assumptions for a real-time simulation of NSSS thermal-hydraulic transients. This may entail inaccurate results and thus, the possibility of so-called ''negative training,'' especially for complicated two-phase flows in the reactor coolant system. To resolve the problem, we developedmore » a realistic NSSS thermal-hydraulic program (named ARTS code) based on the best-estimate code RETRAN-3D. The systematic assessment of ARTS has been conducted by both a stand-alone test and an integrated test in the simulator environment. The non-integrated stand-alone test (NIST) results were reasonable in terms of accuracy, real-time simulation capability, and robustness. After successful completion of the NIST, ARTS was integrated with a 3-D reactor kinetics model and other system models. The site acceptance test (SAT) has been completed successively and confirmed to comply with the ANSI/ANS-3.5-1998 simulator software performance criteria. This paper presents our efforts for the ARTS development and some test results of the NIST and SAT.« less

Thermal-hydraulic posttest analysis for the ANL/MCTF 360/sup 0/ model heat-exchanger water test under mixed convection. [LMFBR

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

Yang, C.I.; Sha, W.T.; Kasza, K.E.

As a result of the uncertainties in the understanding of the influence of thermal-buoyancy effects on the flow and heat transfer in Liquid Metal Fast Breeder Reactor heat exchangers and steam generators under off-normal operating conditions, an extensive experimental program is being conducted at Argonne National Laboratory to eliminate these uncertainties. Concurrently, a parallel analytical effort is also being pursued to develop a three-dimensional transient computer code (COMMIX-IHX) to study and predict heat exchanger performance under mixed, forced, and free convection conditions. This paper presents computational results from a heat exchanger simulation and compares them with the results from amore » test case exhibiting strong thermal buoyancy effects. Favorable agreement between experiment and code prediction is obtained.« less

Validation of Heat Transfer Thermal Decomposition and Container Pressurization of Polyurethane Foam.

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

Scott, Sarah Nicole; Dodd, Amanda B.; Larsen, Marvin E.

Polymer foam encapsulants provide mechanical, electrical, and thermal isolation in engineered systems. In fire environments, gas pressure from thermal decomposition of polymers can cause mechanical failure of sealed systems. In this work, a detailed uncertainty quantification study of PMDI-based polyurethane foam is presented to assess the validity of the computational model. Both experimental measurement uncertainty and model prediction uncertainty are examined and compared. Both the mean value method and Latin hypercube sampling approach are used to propagate the uncertainty through the model. In addition to comparing computational and experimental results, the importance of each input parameter on the simulation resultmore » is also investigated. These results show that further development in the physics model of the foam and appropriate associated material testing are necessary to improve model accuracy.« less

Underground Coal Thermal Treatment: Task 6 Topical Report, Utah Clean Coal Program

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

Smith, P.J.; Deo, M.; Edding, E.G.

The long-term objective of this task is to develop a transformational energy production technology by in- situ thermal treatment of a coal seam for the production of substitute natural gas and/or liquid transportation fuels while leaving much of the coal’s carbon in the ground. This process converts coal to a high-efficiency, low-greenhouse gas (GHG) emitting fuel. It holds the potential of providing environmentally acceptable access to previously unusable coal resources. This task focused on three areas: Experimental. The Underground Coal Thermal Treatment (UCTT) team focused on experiments at two scales, bench-top and slightly larger, to develop data to understand themore » feasibility of a UCTT process as well as to develop validation/uncertainty quantification (V/UQ) data for the simulation team. Simulation. The investigators completed development of High Performance Computing (HPC) simulations of UCTT. This built on our simulation developments over the course of the task and included the application of Computational Fluid Dynamics (CFD)- based tools to perform HPC simulations of a realistically sized domain representative of an actual coal field located in Utah. CO 2 storage. In order to help determine the amount of CO 2 that can be sequestered in a coal formation that has undergone UCTT, adsorption isotherms were performed on coals treated to 325, 450, and 600°C with slow heating rates. Raw material was sourced from the Sufco (Utah), Carlinville (Illinois), and North Antelope (Wyoming) mines. The study indicated that adsorptive capacity for the coals increased with treatment temperature and that coals treated to 325°C showed less or similar capacity to the untreated coals.« less

A User-Friendly Software Package for HIFU Simulation

NASA Astrophysics Data System (ADS)

Soneson, Joshua E.

2009-04-01

A freely-distributed, MATLAB (The Mathworks, Inc., Natick, MA)-based software package for simulating axisymmetric high-intensity focused ultrasound (HIFU) beams and their heating effects is discussed. The package (HIFU_Simulator) consists of a propagation module which solves the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation and a heating module which solves Pennes' bioheat transfer (BHT) equation. The pressure, intensity, heating rate, temperature, and thermal dose fields are computed, plotted, the output is released to the MATLAB workspace for further user analysis or postprocessing.

The thermal regime of the Campi Flegrei magmatic system reconstructed through 3D numerical simulations

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

Di Renzo, Valeria; Wohletz, Kenneth; Civetta, Lucia

In this paper, we illustrate a quantitative conductive/convective thermal model incorporating a wide range of geophysical, petrological, geological, geochemical and isotopical observations that constrain the thermal evolution and present state of the Campi Flegrei caldera (CFc) magmatic system. The proposed model has been computed on the basis of the current knowledge of: (1) the volcanic and magmatic history of the volcano over the last 44 ka, (2) its underlying crustal structure, and (3) the physical properties of the erupted magmas. 3D numerical simulations of heat conduction and convection within heterogeneous rock/magma materials with evolving heat sources and boundary conditions thatmore » simulate magma rise from a deep (≥ 8 km depth) to shallow (2–6 km) reservoirs, magma chamber formation, magma extrusion, caldera collapse, and intra-caldera hydrothermal convection, have been carried out. The evolution of the CFc magmatic system through time has been simulated through different steps related to its changes in terms of depth, location and size of magma reservoirs and their replenishment. The thermal modeling results show that both heat conduction and convection have played an important role in the CFc thermal evolution, although with different timing. Finally, the simulated present heat distribution is in agreement with the measured geothermal profiles (Agip, 1987), reproduces the thermal gradient peaks at the CFc margins in correspondence to the anomalies in surface gradients (Corrado et al., 1998), and suggests temperatures of 700 °C at depth of 4 km in the central portion of the caldera, in agreement with the estimated temperature for the brittle-ductile transition (Hill, 1992).« less

The thermal regime of the Campi Flegrei magmatic system reconstructed through 3D numerical simulations

DOE PAGES

Di Renzo, Valeria; Wohletz, Kenneth; Civetta, Lucia; ...

2016-11-11

In this paper, we illustrate a quantitative conductive/convective thermal model incorporating a wide range of geophysical, petrological, geological, geochemical and isotopical observations that constrain the thermal evolution and present state of the Campi Flegrei caldera (CFc) magmatic system. The proposed model has been computed on the basis of the current knowledge of: (1) the volcanic and magmatic history of the volcano over the last 44 ka, (2) its underlying crustal structure, and (3) the physical properties of the erupted magmas. 3D numerical simulations of heat conduction and convection within heterogeneous rock/magma materials with evolving heat sources and boundary conditions thatmore » simulate magma rise from a deep (≥ 8 km depth) to shallow (2–6 km) reservoirs, magma chamber formation, magma extrusion, caldera collapse, and intra-caldera hydrothermal convection, have been carried out. The evolution of the CFc magmatic system through time has been simulated through different steps related to its changes in terms of depth, location and size of magma reservoirs and their replenishment. The thermal modeling results show that both heat conduction and convection have played an important role in the CFc thermal evolution, although with different timing. Finally, the simulated present heat distribution is in agreement with the measured geothermal profiles (Agip, 1987), reproduces the thermal gradient peaks at the CFc margins in correspondence to the anomalies in surface gradients (Corrado et al., 1998), and suggests temperatures of 700 °C at depth of 4 km in the central portion of the caldera, in agreement with the estimated temperature for the brittle-ductile transition (Hill, 1992).« less

Linearized lattice Boltzmann method for micro- and nanoscale flow and heat transfer.

PubMed

Shi, Yong; Yap, Ying Wan; Sader, John E

2015-07-01

Ability to characterize the heat transfer in flowing gases is important for a wide range of applications involving micro- and nanoscale devices. Gas flows away from the continuum limit can be captured using the Boltzmann equation, whose analytical solution poses a formidable challenge. An efficient and accurate numerical simulation of the Boltzmann equation is thus highly desirable. In this article, the linearized Boltzmann Bhatnagar-Gross-Krook equation is used to develop a hierarchy of thermal lattice Boltzmann (LB) models based on half-space Gaussian-Hermite (GH) quadrature ranging from low to high algebraic precision, using double distribution functions. Simplified versions of the LB models in the continuum limit are also derived, and are shown to be consistent with existing thermal LB models for noncontinuum heat transfer reported in the literature. Accuracy of the proposed LB hierarchy is assessed by simulating thermal Couette flows for a wide range of Knudsen numbers. Effects of the underlying quadrature schemes (half-space GH vs full-space GH) and continuum-limit simplifications on computational accuracy are also elaborated. The numerical findings in this article provide direct evidence of improved computational capability of the proposed LB models for modeling noncontinuum flows and heat transfer at small length scales.

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

Multiscale Computational Analysis of Nitrogen and Oxygen Gas-Phase Thermochemistry in Hypersonic Flows

NASA Astrophysics Data System (ADS)

Bender, Jason D.

Understanding hypersonic aerodynamics is important for the design of next-generation aerospace vehicles for space exploration, national security, and other applications. Ground-level experimental studies of hypersonic flows are difficult and expensive; thus, computational science plays a crucial role in this field. Computational fluid dynamics (CFD) simulations of extremely high-speed flows require models of chemical and thermal nonequilibrium processes, such as dissociation of diatomic molecules and vibrational energy relaxation. Current models are outdated and inadequate for advanced applications. We describe a multiscale computational study of gas-phase thermochemical processes in hypersonic flows, starting at the atomic scale and building systematically up to the continuum scale. The project was part of a larger effort centered on collaborations between aerospace scientists and computational chemists. We discuss the construction of potential energy surfaces for the N4, N2O2, and O4 systems, focusing especially on the multi-dimensional fitting problem. A new local fitting method named L-IMLS-G2 is presented and compared with a global fitting method. Then, we describe the theory of the quasiclassical trajectory (QCT) approach for modeling molecular collisions. We explain how we implemented the approach in a new parallel code for high-performance computing platforms. Results from billions of QCT simulations of high-energy N2 + N2, N2 + N, and N2 + O2 collisions are reported and analyzed. Reaction rate constants are calculated and sets of reactive trajectories are characterized at both thermal equilibrium and nonequilibrium conditions. The data shed light on fundamental mechanisms of dissociation and exchange reactions -- and their coupling to internal energy transfer processes -- in thermal environments typical of hypersonic flows. We discuss how the outcomes of this investigation and other related studies lay a rigorous foundation for new macroscopic models for hypersonic CFD. This research was supported by the Department of Energy Computational Science Graduate Fellowship and by the Air Force Office of Scientific Research Multidisciplinary University Research Initiative.

Power subsystem performance prediction /PSPP/ computer program.

NASA Technical Reports Server (NTRS)

Weiner, H.; Weinstein, S.

1972-01-01

A computer program which simulates the operation of the Viking Orbiter Power Subsystem has been developed. The program simulates the characteristics and interactions of a solar array, battery, battery charge controls, zener diodes, power conditioning equipment, and the battery spacecraft and zener diode-spacecraft thermal interfaces. This program has been used to examine the operation of the Orbiter power subsystem during critical phases of the Viking mission - from launch, through midcourse maneuvers, Mars orbital insertion, orbital trims, Lander separation, solar occultations and unattended operation - until the end of the mission. A typical computer run for the first 24 hours after launch is presented which shows the variations in solar array, zener diode, battery charger, batteries and user load characteristics during this period.

3D nozzle flow simulations including state-to-state kinetics calculation

NASA Astrophysics Data System (ADS)

Cutrone, L.; Tuttafesta, M.; Capitelli, M.; Schettino, A.; Pascazio, G.; Colonna, G.

2014-12-01

In supersonic and hypersonic flows, thermal and chemical non-equilibrium is one of the fundamental aspects that must be taken into account for the accurate characterization of the plasma. In this paper, we present an optimized methodology to approach plasma numerical simulation by state-to-state kinetics calculations in a fully 3D Navier-Stokes CFD solver. Numerical simulations of an expanding flow are presented aimed at comparing the behavior of state-to-state chemical kinetics models with respect to the macroscopic thermochemical non-equilibrium models that are usually used in the numerical computation of high temperature hypersonic flows. The comparison is focused both on the differences in the numerical results and on the computational effort associated with each approach.

Development of process control capability through the Browns Ferry Integrated Computer System using Reactor Water Clanup System as an example. Final report

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

Smith, J.; Mowrey, J.

1995-12-01

This report describes the design, development and testing of process controls for selected system operations in the Browns Ferry Nuclear Plant (BFNP) Reactor Water Cleanup System (RWCU) using a Computer Simulation Platform which simulates the RWCU System and the BFNP Integrated Computer System (ICS). This system was designed to demonstrate the feasibility of the soft control (video touch screen) of nuclear plant systems through an operator console. The BFNP Integrated Computer System, which has recently. been installed at BFNP Unit 2, was simulated to allow for operator control functions of the modeled RWCU system. The BFNP Unit 2 RWCU systemmore » was simulated using the RELAP5 Thermal/Hydraulic Simulation Model, which provided the steady-state and transient RWCU process variables and simulated the response of the system to control system inputs. Descriptions of the hardware and software developed are also included in this report. The testing and acceptance program and results are also detailed in this report. A discussion of potential installation of an actual RWCU process control system in BFNP Unit 2 is included. Finally, this report contains a section on industry issues associated with installation of process control systems in nuclear power plants.« less

An Initial Non-Equilibrium Porous-Media Model for CFD Simulation of Stirling Regenerators

NASA Technical Reports Server (NTRS)

Tew, Roy C.; Simon, Terry; Gedeon, David; Ibrahim, Mounir; Rong, Wei

2006-01-01

The objective of this paper is to define empirical parameters for an initial thermal non-equilibrium porous-media model for use in Computational Fluid Dynamics (CFD) codes for simulation of Stirling regenerators. The two codes currently used at Glenn Research Center for Stirling modeling are Fluent and CFD-ACE. The codes porous-media models are equilibrium models, which assume solid matrix and fluid are in thermal equilibrium. This is believed to be a poor assumption for Stirling regenerators; Stirling 1-D regenerator models, used in Stirling design, use non-equilibrium regenerator models and suggest regenerator matrix and gas average temperatures can differ by several degrees at a given axial location and time during the cycle. Experimentally based information was used to define: hydrodynamic dispersion, permeability, inertial coefficient, fluid effective thermal conductivity, and fluid-solid heat transfer coefficient. Solid effective thermal conductivity was also estimated. Determination of model parameters was based on planned use in a CFD model of Infinia's Stirling Technology Demonstration Converter (TDC), which uses a random-fiber regenerator matrix. Emphasis is on use of available data to define empirical parameters needed in a thermal non-equilibrium porous media model for Stirling regenerator simulation. Such a model has not yet been implemented by the authors or their associates.

Simulating the human body's microclimate using automatic coupling of CFD and an advanced thermoregulation model.

PubMed

Voelker, C; Alsaad, H

2018-05-01

This study aims to develop an approach to couple a computational fluid dynamics (CFD) solver to the University of California, Berkeley (UCB) thermal comfort model to accurately evaluate thermal comfort. The coupling was made using an iterative JavaScript to automatically transfer data for each individual segment of the human body back and forth between the CFD solver and the UCB model until reaching convergence defined by a stopping criterion. The location from which data are transferred to the UCB model was determined using a new approach based on the temperature difference between subsequent points on the temperature profile curve in the vicinity of the body surface. This approach was used because the microclimate surrounding the human body differs in thickness depending on the body segment and the surrounding environment. To accurately simulate the thermal environment, the numerical model was validated beforehand using experimental data collected in a climate chamber equipped with a thermal manikin. Furthermore, an example of the practical implementations of this coupling is reported in this paper through radiant floor cooling simulation cases, in which overall and local thermal sensation and comfort were investigated using the coupled UCB model. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Generalized environmental control and life support system computer program (G1894), phase 3

NASA Technical Reports Server (NTRS)

Mcenulty, R. E.

1978-01-01

The work performed during Phase 3 of the Generalized Environmental Control Life Support System (ECLSS) Computer Program is reported. Phase 3 of this program covered the period from December 1977 to September 1978. The computerized simulation of the Shuttle Orbiter ECLSS was upgraded in the following areas: (1) the payload loop of the Shuttle simulation was completely recoded and checked out; (2) the Shuttle simulation water and freon loop initialization logic was simplified to permit easier program input for the user; (3) the computerized simulation was modified to accept the WASP subroutine, which is a subroutine to evaluate thermal properties of water and freon; (4) the 1108 operating system was upgraded by LEC; (5) the Shuttle simulation was modified to permit failure cases which simulate zero component flow values; and (6) the Shuttle SEPS version was modified and secure files were setup on the 1108 and 1110 systems to permit simulation runs to be made from remote terminals.

Thermal History and Mantle Dynamics of Venus

NASA Technical Reports Server (NTRS)

Hsui, Albert T.

1997-01-01

One objective of this research proposal is to develop a 3-D thermal history model for Venus. The basis of our study is a finite-element computer model to simulate thermal convection of fluids with highly temperature- and pressure-dependent viscosities in a three-dimensional spherical shell. A three-dimensional model for thermal history studies is necessary for the following reasons. To study planetary thermal evolution, one needs to consider global heat budgets of a planet throughout its evolution history. Hence, three-dimensional models are necessary. This is in contrasts to studies of some local phenomena or local structures where models of lower dimensions may be sufficient. There are different approaches to treat three-dimensional thermal convection problems. Each approach has its own advantages and disadvantages. Therefore, the choice of the various approaches is subjective and dependent on the problem addressed. In our case, we are interested in the effects of viscosities that are highly temperature dependent and that their magnitudes within the computing domain can vary over many orders of magnitude. In order to resolve the rapid change of viscosities, small grid spacings are often necessary. To optimize the amount of computing, variable grids become desirable. Thus, the finite-element numerical approach is chosen for its ability to place grid elements of different sizes over the complete computational domain. For this research proposal, we did not start from scratch and develop the finite element codes from the beginning. Instead, we adopted a finite-element model developed by Baumgardner, a collaborator of this research proposal, for three-dimensional thermal convection with constant viscosity. Over the duration supported by this research proposal, a significant amount of advancements have been accomplished.

Implementation of higher-order vertical finite elements in ISSM v4.13 for improved ice sheet flow modeling over paleoclimate timescales

NASA Astrophysics Data System (ADS)

Cuzzone, Joshua K.; Morlighem, Mathieu; Larour, Eric; Schlegel, Nicole; Seroussi, Helene

2018-05-01

Paleoclimate proxies are being used in conjunction with ice sheet modeling experiments to determine how the Greenland ice sheet responded to past changes, particularly during the last deglaciation. Although these comparisons have been a critical component in our understanding of the Greenland ice sheet sensitivity to past warming, they often rely on modeling experiments that favor minimizing computational expense over increased model physics. Over Paleoclimate timescales, simulating the thermal structure of the ice sheet has large implications on the modeled ice viscosity, which can feedback onto the basal sliding and ice flow. To accurately capture the thermal field, models often require a high number of vertical layers. This is not the case for the stress balance computation, however, where a high vertical resolution is not necessary. Consequently, since stress balance and thermal equations are generally performed on the same mesh, more time is spent on the stress balance computation than is otherwise necessary. For these reasons, running a higher-order ice sheet model (e.g., Blatter-Pattyn) over timescales equivalent to the paleoclimate record has not been possible without incurring a large computational expense. To mitigate this issue, we propose a method that can be implemented within ice sheet models, whereby the vertical interpolation along the z axis relies on higher-order polynomials, rather than the traditional linear interpolation. This method is tested within the Ice Sheet System Model (ISSM) using quadratic and cubic finite elements for the vertical interpolation on an idealized case and a realistic Greenland configuration. A transient experiment for the ice thickness evolution of a single-dome ice sheet demonstrates improved accuracy using the higher-order vertical interpolation compared to models using the linear vertical interpolation, despite having fewer degrees of freedom. This method is also shown to improve a model's ability to capture sharp thermal gradients in an ice sheet particularly close to the bed, when compared to models using a linear vertical interpolation. This is corroborated in a thermal steady-state simulation of the Greenland ice sheet using a higher-order model. In general, we find that using a higher-order vertical interpolation decreases the need for a high number of vertical layers, while dramatically reducing model runtime for transient simulations. Results indicate that when using a higher-order vertical interpolation, runtimes for a transient ice sheet relaxation are upwards of 5 to 7 times faster than using a model which has a linear vertical interpolation, and this thus requires a higher number of vertical layers to achieve a similar result in simulated ice volume, basal temperature, and ice divide thickness. The findings suggest that this method will allow higher-order models to be used in studies investigating ice sheet behavior over paleoclimate timescales at a fraction of the computational cost than would otherwise be needed for a model using a linear vertical interpolation.

Measurement-derived heat-budget approaches for simulating coastal wetland temperature with a hydrodynamic model

USGS Publications Warehouse

Swain, Eric; Decker, Jeremy

2010-01-01

Numerical modeling is needed to predict environmental temperatures, which affect a number of biota in southern Florida, U.S.A., such as the West Indian manatee (Trichechus manatus), which uses thermal basins for refuge from lethal winter cold fronts. To numerically simulate heat-transport through a dynamic coastal wetland region, an algorithm was developed for the FTLOADDS coupled hydrodynamic surface-water/ground-water model that uses formulations and coefficients suited to the coastal wetland thermal environment. In this study, two field sites provided atmospheric data to develop coefficients for the heat flux terms representing this particular study area. Several methods were examined to represent the heat-flux components used to compute temperature. A Dalton equation was compared with a Penman formulation for latent heat computations, producing similar daily-average temperatures. Simulation of heat-transport in the southern Everglades indicates that the model represents the daily fluctuation in coastal temperatures better than at inland locations; possibly due to the lack of information on the spatial variations in heat-transport parameters such as soil heat capacity and surface albedo. These simulation results indicate that the new formulation is suitable for defining the existing thermohydrologic system and evaluating the ecological effect of proposed restoration efforts in the southern Everglades of Florida.

Multiscale Macromolecular Simulation: Role of Evolving Ensembles

PubMed Central

Singharoy, A.; Joshi, H.; Ortoleva, P.J.

2013-01-01

Multiscale analysis provides an algorithm for the efficient simulation of macromolecular assemblies. This algorithm involves the coevolution of a quasiequilibrium probability density of atomic configurations and the Langevin dynamics of spatial coarse-grained variables denoted order parameters (OPs) characterizing nanoscale system features. In practice, implementation of the probability density involves the generation of constant OP ensembles of atomic configurations. Such ensembles are used to construct thermal forces and diffusion factors that mediate the stochastic OP dynamics. Generation of all-atom ensembles at every Langevin timestep is computationally expensive. Here, multiscale computation for macromolecular systems is made more efficient by a method that self-consistently folds in ensembles of all-atom configurations constructed in an earlier step, history, of the Langevin evolution. This procedure accounts for the temporal evolution of these ensembles, accurately providing thermal forces and diffusions. It is shown that efficiency and accuracy of the OP-based simulations is increased via the integration of this historical information. Accuracy improves with the square root of the number of historical timesteps included in the calculation. As a result, CPU usage can be decreased by a factor of 3-8 without loss of accuracy. The algorithm is implemented into our existing force-field based multiscale simulation platform and demonstrated via the structural dynamics of viral capsomers. PMID:22978601

Solder creep-fatigue interactions with flexible leaded parts

NASA Technical Reports Server (NTRS)

Ross, R. G., Jr.; Wen, L. C.; Mon, G. R.; Jetter, E.

1992-01-01

With flexible leaded parts, the solder-joint failure process involves a complex interplay of creep and fatigue mechanisms. To better understand the role of creep in typical multi-hour cyclic loading conditions, a specialized non-linear finite-element creep simulation computer program has been formulated. The numerical algorithm includes the complete part-lead-solder-PWB system, accounting for strain-rate dependence of creep on applied stress and temperature, and the role of the part-lead dimensions and flexibility that determine the total creep deflection (solder strain range) during stress relaxation. The computer program has been used to explore the effects of various solder creep-fatigue parameters such as lead height and stiffness, thermal-cycle test profile, and part/board differential thermal expansion properties. One of the most interesting findings is the strong presence of unidirectional creep-ratcheting that occurs during thermal cycling due to temperature dominated strain-rate effects. To corroborate the solder fatigue model predictions, a number of carefully controlled thermal-cycle tests have been conducted using special bimetallic test boards.

Effect of tumor properties on energy absorption, temperature mapping, and thermal dose in 13.56-MHz radiofrequency hyperthermia.

PubMed

Prasad, Bibin; Kim, Subin; Cho, Woong; Kim, Suzy; Kim, Jung Kyung

2018-05-01

Computational techniques can enhance personalized hyperthermia-treatment planning by calculating tissue energy absorption and temperature distribution. This study determined the effect of tumor properties on energy absorption, temperature mapping, and thermal dose distribution in mild radiofrequency hyperthermia using a mouse xenograft model. We used a capacitive-heating radiofrequency hyperthermia system with an operating frequency of 13.56 MHz for in vivo mouse experiments and performed simulations on a computed tomography mouse model. Additionally, we measured the dielectric properties of the tumors and considered temperature dependence for thermal properties, metabolic heat generation, and perfusion. Our results showed that dielectric property variations were more dominant than thermal properties and other parameters, and that the measured dielectric properties provided improved temperature-mapping results relative to the property values taken from previous study. Furthermore, consideration of temperature dependency in the bio heat-transfer model allowed elucidation of precise thermal-dose calculations. These results suggested that this method might contribute to effective thermoradiotherapy planning in clinics. Copyright © 2018 Elsevier Ltd. All rights reserved.

Theoretical and Computational Investigation of High-Brightness Beams

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

Chen, Chiping

Theoretical and computational investigations of adiabatic thermal beams have been carried out in parameter regimes relevant to the development of advanced high-brightness, high-power accelerators for high-energy physics research and for various applications such as light sources. Most accelerator applications require high-brightness beams. This is true for high-energy accelerators such as linear colliders. It is also true for energy recovery linacs (ERLs) and free electron lasers (FELs) such as x-ray free electron lasers (XFELs). The breakthroughs and highlights in our research in the period from February 1, 2013 to November 30, 2013 were: a) Completion of a preliminary theoretical and computationalmore » study of adiabatic thermal Child-Langmuir flow (Mok, 2013); and b) Presentation of an invited paper entitled ?Adiabatic Thermal Beams in a Periodic Focusing Field? at Space Charge 2013 Workshop, CERN, April 16-19, 2013 (Chen, 2013). In this report, an introductory background for the research project is provided. Basic theory of adiabatic thermal Child-Langmuir flow is reviewed. Results of simulation studies of adiabatic thermal Child-Langmuir flows are discussed.« less

Optimization of tissue physical parameters for accurate temperature estimation from finite-element simulation of radiofrequency ablation.

PubMed

Subramanian, Swetha; Mast, T Douglas

2015-10-07

Computational finite element models are commonly used for the simulation of radiofrequency ablation (RFA) treatments. However, the accuracy of these simulations is limited by the lack of precise knowledge of tissue parameters. In this technical note, an inverse solver based on the unscented Kalman filter (UKF) is proposed to optimize values for specific heat, thermal conductivity, and electrical conductivity resulting in accurately simulated temperature elevations. A total of 15 RFA treatments were performed on ex vivo bovine liver tissue. For each RFA treatment, 15 finite-element simulations were performed using a set of deterministically chosen tissue parameters to estimate the mean and variance of the resulting tissue ablation. The UKF was implemented as an inverse solver to recover the specific heat, thermal conductivity, and electrical conductivity corresponding to the measured area of the ablated tissue region, as determined from gross tissue histology. These tissue parameters were then employed in the finite element model to simulate the position- and time-dependent tissue temperature. Results show good agreement between simulated and measured temperature.

An Evaluation of Human Thermal Models for the Study of Immersion Hypothermia Protection Equipment

DTIC Science & Technology

1979-10-12

exhibited by the five experimental observations, largely due to somatotype differences among the subjects. None of the individual responses Is represented...not less than 35°C). A mathematical model capable of accurately simulating the thermal responses of a protected man in a cold environment would be an...flow) responses . The models are most generally expressed as a set of differential equa- tions. Early models were solved using analog computers. The

Effect of Steel Framing for Securing Drywall Panels on Thermal and Humidity Parameters of the Outer Walls

NASA Astrophysics Data System (ADS)

Major, Maciej; Kosiń, Mariusz

2017-12-01

The paper analyses the effect of steel framing used to secure drywall panels on thermal and humidity properties of outer walls. In the practice of building a light structure, the most popular components are steel and wood studs. They are used to obtain framing for building a wall (an outer wall in this study). Analysis presented in this study concerned the corner of the outer wall build using the technology of light steel framing. Computer simulation was used to perform thermal and humidity analysis for the joint of the outer wall.

Spacecraft thermal balance testing using infrared sources

NASA Technical Reports Server (NTRS)

Tan, G. B. T.; Walker, J. B.

1982-01-01

A thermal balance test (controlled flux intensity) on a simple black dummy spacecraft using IR lamps was performed and evaluated, the latter being aimed specifically at thermal mathematical model (TMM) verification. For reference purposes the model was also subjected to a solar simulation test (SST). The results show that the temperature distributions measured during IR testing for two different model attitudes under steady state conditions are reproducible with a TMM. The TMM test data correlation is not as accurate for IRT as for SST. Using the standard deviation of the temperature difference distribution (analysis minus test) the SST data correlation is better by a factor of 1.8 to 2.5. The lower figure applies to the measured and the higher to the computer-generated IR flux intensity distribution. Techniques of lamp power control are presented. A continuing work program is described which is aimed at quantifying the differences between solar simulation and infrared techniques for a model representing the thermal radiating surfaces of a large communications spacecraft.

A kinetic Monte Carlo approach to diffusion-controlled thermal desorption spectroscopy

NASA Astrophysics Data System (ADS)

Schablitzki, T.; Rogal, J.; Drautz, R.

2017-06-01

Atomistic simulations of thermal desorption spectra for effusion from bulk materials to characterize binding or trapping sites are a challenging task as large system sizes as well as extended time scales are required. Here, we introduce an approach where we combine kinetic Monte Carlo with an analytic approximation of the superbasins within the framework of absorbing Markov chains. We apply our approach to the effusion of hydrogen from BCC iron, where the diffusion within bulk grains is coarse grained using absorbing Markov chains, which provide an exact solution of the dynamics within a superbasin. Our analytic approximation to the superbasin is transferable with respect to grain size and elliptical shapes and can be applied in simulations with constant temperature as well as constant heating rate. The resulting thermal desorption spectra are in close agreement with direct kinetic Monte Carlo simulations, but the calculations are computationally much more efficient. Our approach is thus applicable to much larger system sizes and provides a first step towards an atomistic understanding of the influence of structural features on the position and shape of peaks in thermal desorption spectra. This article is part of the themed issue 'The challenges of hydrogen and metals'.

On-Line, Self-Learning, Predictive Tool for Determining Payload Thermal Response

NASA Technical Reports Server (NTRS)

Jen, Chian-Li; Tilwick, Leon

2000-01-01

This paper will present the results of a joint ManTech / Goddard R&D effort, currently under way, to develop and test a computer based, on-line, predictive simulation model for use by facility operators to predict the thermal response of a payload during thermal vacuum testing. Thermal response was identified as an area that could benefit from the algorithms developed by Dr. Jeri for complex computer simulations. Most thermal vacuum test setups are unique since no two payloads have the same thermal properties. This requires that the operators depend on their past experiences to conduct the test which requires time for them to learn how the payload responds while at the same time limiting any risk of exceeding hot or cold temperature limits. The predictive tool being developed is intended to be used with the new Thermal Vacuum Data System (TVDS) developed at Goddard for the Thermal Vacuum Test Operations group. This model can learn the thermal response of the payload by reading a few data points from the TVDS, accepting the payload's current temperature as the initial condition for prediction. The model can then be used as a predictive tool to estimate the future payload temperatures according to a predetermined shroud temperature profile. If the error of prediction is too big, the model can be asked to re-learn the new situation on-line in real-time and give a new prediction. Based on some preliminary tests, we feel this predictive model can forecast the payload temperature of the entire test cycle within 5 degrees Celsius after it has learned 3 times during the beginning of the test. The tool will allow the operator to play "what-if' experiments to decide what is his best shroud temperature set-point control strategy. This tool will save money by minimizing guess work and optimizing transitions as well as making the testing process safer and easier to conduct.

Thermal System Upgrade of the Space Environment Simulation Test Chamber

NASA Technical Reports Server (NTRS)

Desai, Ashok B.

1997-01-01

The paper deals with the refurbishing and upgrade of the thermal system for the existing thermal vacuum test facility, the Space Environment Simulator, at NASA's Goddard Space Flight Center. The chamber is the largest such facility at the center. This upgrade is the third phase of the long range upgrade of the chamber that has been underway for last few years. The first phase dealt with its vacuum system, the second phase involved the GHe subsystem. The paper describes the considerations of design philosophy options for the thermal system; approaches taken and methodology applied, in the evaluation of the remaining "life" in the chamber shrouds and related equipment by conducting special tests and studies; feasibility and extent of automation, using computer interfaces and Programmable Logic Controllers in the control system and finally, matching the old components to the new ones into an integrated, highly reliable and cost effective thermal system for the facility. This is a multi-year project just started and the paper deals mainly with the plans and approaches to implement the project successfully within schedule and costs.

Thermal conductance at atomically clean and disordered silicon/aluminum interfaces: A molecular dynamics simulation study

NASA Astrophysics Data System (ADS)

Ih Choi, Woon; Kim, Kwiseon; Narumanchi, Sreekant

2012-09-01

Thermal resistance between layers impedes effective heat dissipation in electronics packaging applications. Thermal conductance for clean and disordered interfaces between silicon (Si) and aluminum (Al) was computed using realistic Si/Al interfaces and classical molecular dynamics with the modified embedded atom method potential. These realistic interfaces, which include atomically clean as well as disordered interfaces, were obtained using density functional theory. At 300 K, the magnitude of interfacial conductance due to phonon-phonon scattering obtained from the classical molecular dynamics simulations was approximately five times higher than the conductance obtained using analytical elastic diffuse mismatch models. Interfacial disorder reduced the thermal conductance due to increased phonon scattering with respect to the atomically clean interface. Also, the interfacial conductance, due to electron-phonon scattering at the interface, was greater than the conductance due to phonon-phonon scattering. This indicates that phonon-phonon scattering is the bottleneck for interfacial transport at the semiconductor/metal interfaces. The molecular dynamics modeling predictions for interfacial thermal conductance for a 5-nm disordered interface between Si/Al were in-line with recent experimental data in the literature.

Computational Analysis of the Combustion Processes in an Axisymmetric, RBCC Flowpath

NASA Technical Reports Server (NTRS)

Steffen, Christopher J., Jr.; Yungster, Shaye

2001-01-01

Computational fluid dynamic simulations have been used to study the combustion processes within an axisymmetric, RBCC flowpath. Two distinct operating modes have been analyzed to date, including the independent ramjet stream (IRS) cycle and the supersonic combustion ramjet (scramJet) cycle. The IRS cycle investigation examined the influence of fuel-air ratio, fuel distribution, and rocket chamber pressure upon the combustion physics and thermal choke characteristics. Results indicate that adjustment of the amount and radial distribution of fuel can control the thermal choke point. The secondary massflow rate was very sensitive to the fuel-air ratio and the rocket chamber pressure. The scramjet investigation examined the influence of fuel-air ratio and fuel injection schedule upon combustion performance estimates. An analysis of the mesh-dependence of these calculations was presented. Jet penetration data was extracted from the three-dimensional simulations and compared favorably with experimental correlations of similar flows. Results indicate that combustion efficiency was very sensitive to the fuel schedule.

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.

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

Macrosegregation Resulting from Directional Solidification Through an Abrupt Change in Cross-Sections

NASA Technical Reports Server (NTRS)

Lauer, M.; Poirier, D. R.; Ghods, M.; Tewari, S. N.; Grugel, R. N.

2017-01-01

Simulations of the directional solidification of two hypoeutectic alloys (Al-7Si alloy and Al-19Cu) and resulting macrosegregation patterns are presented. The casting geometries include abrupt changes in cross-section from a larger width of 9.5 mm to a narrower 3.2 mm width then through an expansion back to a width of 9.5 mm. The alloys were chosen as model alloys because they have similar solidification shrinkages, but the effect of Cu on changing the density of the liquid alloy is about an order of magnitude greater than that of Si. The simulations compare well with experimental castings that were directionally solidified in a graphite mold in a Bridgman furnace. In addition to the simulations of the directional solidification in graphite molds, some simulations were effected for solidification in an alumina mold. This study showed that the mold must be included in numerical simulations of directional solidification because of its effect on the temperature field and solidification. For the model alloys used for the study, the simulations clearly show the interaction of the convection field with the solidifying alloys to produce a macrosegregation pattern known as "steepling" in sections with a uniform width. Details of the complex convection- and segregation-patterns at both the contraction and expansion of the cross-sectional area are revealed by the computer simulations. The convection and solidification through the expansions suggest a possible mechanism for the formation of stray grains. The computer simulations and the experimental castings have been part of on-going ground-based research with the goal of providing necessary background for eventual experiments aboard the ISS. For casting practitioners, the results of the simulations demonstrate that computer simulations should be applied to reveal interactions between alloy solidification properties, solidification conditions, and mold geometries on macrosegregation. The simulations also presents the possibility of engineering the mold-material to avoid, or mitigate, the effects of thermosolutal convection and macrosegregation by selecting a mold material with suitable thermal properties, especially its thermal conductivity.

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.

A NARX damper model for virtual tuning of automotive suspension systems with high-frequency loading

NASA Astrophysics Data System (ADS)

Alghafir, M. N.; Dunne, J. F.

2012-02-01

A computationally efficient NARX-type neural network model is developed to characterise highly nonlinear frequency-dependent thermally sensitive hydraulic dampers for use in the virtual tuning of passive suspension systems with high-frequency loading. Three input variables are chosen to account for high-frequency kinematics and temperature variations arising from continuous vehicle operation over non-smooth surfaces such as stone-covered streets, rough or off-road conditions. Two additional input variables are chosen to represent tuneable valve parameters. To assist in the development of the NARX model, a highly accurate but computationally excessive physical damper model [originally proposed by S. Duym and K. Reybrouck, Physical characterization of non-linear shock absorber dynamics, Eur. J. Mech. Eng. M 43(4) (1998), pp. 181-188] is extended to allow for high-frequency input kinematics. Experimental verification of this extended version uses measured damper data obtained from an industrial damper test machine under near-isothermal conditions for fixed valve settings, with input kinematics corresponding to harmonic and random road profiles. The extended model is then used only for simulating data for training and testing the NARX model with specified temperature profiles and different valve parameters, both in isolation and within quarter-car vehicle simulations. A heat generation and dissipation model is also developed and experimentally verified for use within the simulations. Virtual tuning using the quarter-car simulation model then exploits the NARX damper to achieve a compromise between ride and handling under transient thermal conditions with harmonic and random road profiles. For quarter-car simulations, the paper shows that a single tuneable NARX damper makes virtual tuning computationally very attractive.

Study on key technologies of optimization of big data for thermal power plant performance

NASA Astrophysics Data System (ADS)

Mao, Mingyang; Xiao, Hong

2018-06-01

Thermal power generation accounts for 70% of China's power generation, the pollutants accounted for 40% of the same kind of emissions, thermal power efficiency optimization needs to monitor and understand the whole process of coal combustion and pollutant migration, power system performance data show explosive growth trend, The purpose is to study the integration of numerical simulation of big data technology, the development of thermal power plant efficiency data optimization platform and nitrogen oxide emission reduction system for the thermal power plant to improve efficiency, energy saving and emission reduction to provide reliable technical support. The method is big data technology represented by "multi-source heterogeneous data integration", "large data distributed storage" and "high-performance real-time and off-line computing", can greatly enhance the energy consumption capacity of thermal power plants and the level of intelligent decision-making, and then use the data mining algorithm to establish the boiler combustion mathematical model, mining power plant boiler efficiency data, combined with numerical simulation technology to find the boiler combustion and pollutant generation rules and combustion parameters of boiler combustion and pollutant generation Influence. The result is to optimize the boiler combustion parameters, which can achieve energy saving.

Prediction of SFL Interruption Performance from the Results of Arc Simulation during High-Current Phase

NASA Astrophysics Data System (ADS)

Lee, Jong-Chul; Lee, Won-Ho; Kim, Woun-Jea

2015-09-01

The design and development procedures of SF6 gas circuit breakers are still largely based on trial and error through testing although the development costs go higher every year. The computation cannot cover the testing satisfactorily because all the real processes arc not taken into account. But the knowledge of the arc behavior and the prediction of the thermal-flow inside the interrupters by numerical simulations are more useful than those by experiments due to the difficulties to obtain physical quantities experimentally and the reduction of computational costs in recent years. In this paper, in order to get further information into the interruption process of a SF6 self-blast interrupter, which is based on a combination of thermal expansion and the arc rotation principle, gas flow simulations with a CFD-arc modeling are performed during the whole switching process such as high-current period, pre-current zero period, and current-zero period. Through the complete work, the pressure-rise and the ramp of the pressure inside the chamber before current zero as well as the post-arc current after current zero should be a good criterion to predict the short-line fault interruption performance of interrupters.

Multi-scale structural analysis of gas diffusion layers

NASA Astrophysics Data System (ADS)

Göbel, Martin; Godehardt, Michael; Schladitz, Katja

2017-07-01

The macroscopic properties of materials are strongly determined by their micro structure. Here, transport properties of gas diffusion layers (GDL) for fuel cells are considered. In order to simulate flow and thermal properties, detailed micro structural information is essential. 3D images obtained by high-resolution computed tomography using synchrotron radiation and scanning electron microscopy (SEM) combined with focused ion beam (FIB) serial slicing were used. A recent method for reconstruction of porous structures from FIB-SEM images and sophisticated morphological image transformations were applied to segment the solid structural components. The essential algorithmic steps for segmenting the different components in the tomographic data-sets are described and discussed. In this paper, two types of GDL, based on a non-woven substrate layer and a paper substrate layer were considered, respectively. More than three components are separated within the synchrotron radiation computed tomography data. That is, fiber system, polytetrafluoroethylene (PTFE) binder/impregnation, micro porous layer (MPL), inclusions within the latter, and pore space are segmented. The usage of the thus derived 3D structure data in different simulation applications can be demonstrated. Simulations of macroscopic properties such as thermal conductivity, depending on the flooding state of the GDL are possible.

Accelerating the Design of Solar Thermal Fuel Materials through High Throughput Simulations

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

Liu, Y; Grossman, JC

2014-12-01

Solar thermal fuels (STF) store the energy of sunlight, which can then be released later in the form of heat, offering an emission-free and renewable solution for both solar energy conversion and storage. However, this approach is currently limited by the lack of low-cost materials with high energy density and high stability. In this Letter, we present an ab initio high-throughput computational approach to accelerate the design process and allow for searches over a broad class of materials. The high-throughput screening platform we have developed can run through large numbers of molecules composed of earth-abundant elements and identifies possible metastablemore » structures of a given material. Corresponding isomerization enthalpies associated with the metastable structures are then computed. Using this high-throughput simulation approach, we have discovered molecular structures with high isomerization enthalpies that have the potential to be new candidates for high-energy density STF. We have also discovered physical principles to guide further STF materials design through structural analysis. More broadly, our results illustrate the potential of using high-throughput ab initio simulations to design materials that undergo targeted structural transitions.« less

Graphics processing unit (GPU)-based computation of heat conduction in thermally anisotropic solids

NASA Astrophysics Data System (ADS)

Nahas, C. A.; Balasubramaniam, Krishnan; Rajagopal, Prabhu

2013-01-01

Numerical modeling of anisotropic media is a computationally intensive task since it brings additional complexity to the field problem in such a way that the physical properties are different in different directions. Largely used in the aerospace industry because of their lightweight nature, composite materials are a very good example of thermally anisotropic media. With advancements in video gaming technology, parallel processors are much cheaper today and accessibility to higher-end graphical processing devices has increased dramatically over the past couple of years. Since these massively parallel GPUs are very good in handling floating point arithmetic, they provide a new platform for engineers and scientists to accelerate their numerical models using commodity hardware. In this paper we implement a parallel finite difference model of thermal diffusion through anisotropic media using the NVIDIA CUDA (Compute Unified device Architecture). We use the NVIDIA GeForce GTX 560 Ti as our primary computing device which consists of 384 CUDA cores clocked at 1645 MHz with a standard desktop pc as the host platform. We compare the results from standard CPU implementation for its accuracy and speed and draw implications for simulation using the GPU paradigm.

Modeling Subsurface Reactive Flows Using Leadership-Class Computing

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

Mills, Richard T; Hammond, Glenn; Lichtner, Peter

2009-01-01

We describe our experiences running PFLOTRAN - a code for simulation of coupled hydro-thermal-chemical processes in variably saturated, non-isothermal, porous media - on leadership-class supercomputers, including initial experiences running on the petaflop incarnation of Jaguar, the Cray XT5 at the National Center for Computational Sciences at Oak Ridge National Laboratory. PFLOTRAN utilizes fully implicit time-stepping and is built on top of the Portable, Extensible Toolkit for Scientific Computation (PETSc). We discuss some of the hurdles to 'at scale' performance with PFLOTRAN and the progress we have made in overcoming them on leadership-class computer architectures.

Communication interval selection in distributed heterogeneous simulation of large-scale dynamical systems

NASA Astrophysics Data System (ADS)

Lucas, Charles E.; Walters, Eric A.; Jatskevich, Juri; Wasynczuk, Oleg; Lamm, Peter T.

2003-09-01

In this paper, a new technique useful for the numerical simulation of large-scale systems is presented. This approach enables the overall system simulation to be formed by the dynamic interconnection of the various interdependent simulations, each representing a specific component or subsystem such as control, electrical, mechanical, hydraulic, or thermal. Each simulation may be developed separately using possibly different commercial-off-the-shelf simulation programs thereby allowing the most suitable language or tool to be used based on the design/analysis needs. These subsystems communicate the required interface variables at specific time intervals. A discussion concerning the selection of appropriate communication intervals is presented herein. For the purpose of demonstration, this technique is applied to a detailed simulation of a representative aircraft power system, such as that found on the Joint Strike Fighter (JSF). This system is comprised of ten component models each developed using MATLAB/Simulink, EASY5, or ACSL. When the ten component simulations were distributed across just four personal computers (PCs), a greater than 15-fold improvement in simulation speed (compared to the single-computer implementation) was achieved.

HPC simulations of grain-scale spallation to improve thermal spallation drilling

NASA Astrophysics Data System (ADS)

Walsh, S. D.; Lomov, I.; Wideman, T. W.; Potter, J.

2012-12-01

Thermal spallation drilling and related hard-rock hole opening techniques are transformative technologies with the potential to dramatically reduce the costs associated with EGS well drilling and improve the productivity of new and existing wells. In contrast to conventional drilling methods that employ mechanical means to penetrate rock, thermal spallation methods fragment rock into small pieces ("spalls") without contact via the rapid transmission of heat to the rock surface. State-of-the-art constitutive models of thermal spallation employ Weibull statistical failure theory to represent the relationship between rock heterogeneity and its propensity to produce spalls when heat is applied to the rock surface. These models have been successfully used to predict such factors as penetration rate, spall-size distribution and borehole radius from drilling jet velocity and applied heat flux. A properly calibrated Weibull model would permit design optimization of thermal spallation drilling under geothermal field conditions. However, although useful for predicting system response in a given context, Weibull models are by their nature empirically derived. In the past, the parameters used in these models were carefully determined from laboratory tests, and thus model applicability was limited by experimental scope. This becomes problematic, for example, if simulating spall production at depths relevant for geothermal energy production, or modeling thermal spallation drilling in new rock types. Nevertheless, with sufficient computational resources, Weibull models could be validated in the absence of experimental data by explicit small-scale simulations that fully resolve rock grains. This presentation will discuss how high-fidelity simulations can be used to inform Weibull models of thermal spallation, and what these simulations reveal about the processes driving spallation at the grain-scale - in particular, the role that inter-grain boundaries and micro-pores play in the onset and extent of spallation. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Computational Reduction of Specimen Noise to Enable Improved Thermography Characterization of Flaws in Graphite Polymer Composites

NASA Technical Reports Server (NTRS)

Winfree, William P.; Howell, Patricia A.; Zalameda, Joseph N.

2014-01-01

Flaw detection and characterization with thermographic techniques in graphite polymer composites are often limited by localized variations in the thermographic response. Variations in properties such as acceptable porosity, fiber volume content and surface polymer thickness result in variations in the thermal response that in general cause significant variations in the initial thermal response. These result in a "noise" floor that increases the difficulty of detecting and characterizing deeper flaws. A method is presented for computationally removing a significant amount of the "noise" from near surface porosity by diffusing the early time response, then subtracting it from subsequent responses. Simulations of the thermal response of a composite are utilized in defining the limitations of the technique. This method for reducing the data is shown to give considerable improvement characterizing both the size and depth of damage. Examples are shown for data acquired on specimens with fabricated delaminations and impact damage.

Computational reduction of specimen noise to enable improved thermography characterization of flaws in graphite polymer composites

NASA Astrophysics Data System (ADS)

Winfree, William P.; Howell, Patricia A.; Zalameda, Joseph N.

2014-05-01

Flaw detection and characterization with thermographic techniques in graphite polymer composites are often limited by localized variations in the thermographic response. Variations in properties such as acceptable porosity, fiber volume content and surface polymer thickness result in variations in the thermal response that in general cause significant variations in the initial thermal response. These result in a "noise" floor that increases the difficulty of detecting and characterizing deeper flaws. A method is presented for computationally removing a significant amount of the "noise" from near surface porosity by diffusing the early time response, then subtracting it from subsequent responses. Simulations of the thermal response of a composite are utilized in defining the limitations of the technique. This method for reducing the data is shown to give considerable improvement characterizing both the size and depth of damage. Examples are shown for data acquired on specimens with fabricated delaminations and impact damage.

Quantifying Uncertainties in the Thermo-Mechanical Properties of Particulate Reinforced Composites

NASA Technical Reports Server (NTRS)

Mital, Subodh K.; Murthy, Pappu L. N.

1999-01-01

The present paper reports results from a computational simulation of probabilistic particulate reinforced composite behavior. The approach consists use of simplified micromechanics of particulate reinforced composites together with a Fast Probability Integration (FPI) technique. Sample results are presented for a Al/SiC(sub p)(silicon carbide particles in aluminum matrix) composite. The probability density functions for composite moduli, thermal expansion coefficient and thermal conductivities along with their sensitivity factors are computed. The effect of different assumed distributions and the effect of reducing scatter in constituent properties on the thermal expansion coefficient are also evaluated. The variations in the constituent properties that directly effect these composite properties are accounted for by assumed probabilistic distributions. The results show that the present technique provides valuable information about the scatter in composite properties and sensitivity factors, which are useful to test or design engineers.

Computational study of nonlinear plasma waves. [plasma simulation model applied to electrostatic waves in collisionless plasma

NASA Technical Reports Server (NTRS)

Matsuda, Y.

1974-01-01

A low-noise plasma simulation model is developed and applied to a series of linear and nonlinear problems associated with electrostatic wave propagation in a one-dimensional, collisionless, Maxwellian plasma, in the absence of magnetic field. It is demonstrated that use of the hybrid simulation model allows economical studies to be carried out in both the linear and nonlinear regimes with better quantitative results, for comparable computing time, than can be obtained by conventional particle simulation models, or direct solution of the Vlasov equation. The characteristics of the hybrid simulation model itself are first investigated, and it is shown to be capable of verifying the theoretical linear dispersion relation at wave energy levels as low as .000001 of the plasma thermal energy. Having established the validity of the hybrid simulation model, it is then used to study the nonlinear dynamics of monochromatic wave, sideband instability due to trapped particles, and satellite growth.

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.

BIPV: a real-time building performance study for a roof-integrated facility

NASA Astrophysics Data System (ADS)

Aaditya, Gayathri; Mani, Monto

2018-03-01

Building integrated photovoltaic system (BIPV) is a photovoltaic (PV) integration that generates energy and serves as a building envelope. A building element (e.g. roof and wall) is based on its functional performance, which could include structure, durability, maintenance, weathering, thermal insulation, acoustics, and so on. The present paper discusses the suitability of PV as a building element in terms of thermal performance based on a case study of a 5.25 kWp roof-integrated BIPV system in tropical regions. Performance of PV has been compared with conventional construction materials and various scenarios have been simulated to understand the impact on occupant comfort levels. In the current case study, PV as a roofing material has been shown to cause significant thermal discomfort to the occupants. The study has been based on real-time data monitoring supported by computer-based building simulation model.

A New Java Animation in Peer-Reviewed "JCE" Webware

ERIC Educational Resources Information Center

Coleman, William F.; Fedosky, Edward W.

2006-01-01

"Computer Simulations of Salt Solubility" by Victor M. S. Gil provides an animated, visual interpretation of the different solubilities of related salts based on simple entropy changes associated with dissolution such as configurational disorder and thermal disorder. This animation can help improve students' conceptual understanding of…

SIMWEST: A simulation model for wind and photovoltaic energy storage systems (CDC user's manual), volume 1

NASA Technical Reports Server (NTRS)

Warren, A. W.; Esinger, A. W.

1979-01-01

Procedures are given for using the SIMWEST program on CDC 6000 series computers. This expanded software package includes wind and/or photovoltaic systems utilizing any combination of five types of storage (pumped hydro, battery, thermal, flywheel, and pneumatic).

Microscale Electromagnetic Heating in Heterogeneous Energetic Materials Based on X-ray Computed Tomography

NASA Astrophysics Data System (ADS)

Kort-Kamp, W. J. M.; Cordes, N. L.; Ionita, A.; Glover, B. B.; Duque, A. L. Higginbotham; Perry, W. L.; Patterson, B. M.; Dalvit, D. A. R.; Moore, D. S.

2016-04-01

Electromagnetic stimulation of energetic materials provides a noninvasive and nondestructive tool for detecting and identifying explosives. We combine structural information based on x-ray computed tomography, experimental dielectric data, and electromagnetic full-wave simulations to study microscale electromagnetic heating of realistic three-dimensional heterogeneous explosives. We analyze the formation of electromagnetic hot spots and thermal gradients in the explosive-binder mesostructures and compare the heating rate for various binder systems.

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.

Combined Experimental and Numerical Simulations of Thermal Barrier Coated Turbine Blades Erosion

NASA Technical Reports Server (NTRS)

Hamed, Awate; Tabakoff, Widen; Swar, Rohan; Shin, Dongyun; Woggon, Nthanial; Miller, Robert

2013-01-01

A combined experimental and computational study was conducted to investigate the erosion of thermal barrier coated (TBC) blade surfaces by alumina particles ingestion in a single stage turbine. In the experimental investigation, tests of particle surface interactions were performed in specially designed tunnels to determine the erosion rates and particle restitution characteristics under different impact conditions. The experimental results show that the erosion rates increase with increased impingement angle, impact velocity and temperature. In the computational simulations, an Euler-Lagrangian two stage approach is used in obtaining numerical solutions to the three-dimensional compressible Reynolds Averaged Navier-Stokes equations and the particles equations of motion in each blade passage reference frame. User defined functions (UDF) were developed to represent experimentally-based correlations for particle surface interaction models which were employed in the three-dimensional particle trajectory simulations to determine the particle rebound characteristics after each surface impact. The experimentally based erosion UDF model was used to predict the TBC erosion rates on the turbine blade surfaces based on the computed statistical data of the particles impact locations, velocities and angles relative to the blade surface. Computational results are presented for the predicted TBC blade erosion in a single stage commercial APU turbine, for a NASA designed automotive turbine, and for the NASA turbine scaled for modern rotorcraft operating conditions. The erosion patterns in the turbines are discussed for uniform particle ingestion and for particle ingestion concentrated in the inner and outer 5 percent of the stator blade span representing the flow cooling the combustor liner.

Multi-disciplinary coupling effects for integrated design of propulsion systems

NASA Technical Reports Server (NTRS)

Chamis, C. C.; Singhal, S. N.

1993-01-01

Effective computational simulation procedures are described for modeling the inherent multi-disciplinary interactions which govern the accurate response of propulsion systems. Results are presented for propulsion system responses including multi-disciplinary coupling effects using coupled multi-discipline thermal, structural, and acoustic tailoring; an integrated system of multi-disciplinary simulators; coupled material behavior/fabrication process tailoring; sensitivities using a probabilistic simulator; and coupled materials, structures, fracture, and probabilistic behavior simulator. The results demonstrate that superior designs can be achieved if the analysis/tailoring methods account for the multi-disciplinary coupling effects. The coupling across disciplines can be used to develop an integrated coupled multi-discipline numerical propulsion system simulator.

Anisotropy of thermal infrared remote sensing over urban areas : assessment from airborne data and modeling approach

NASA Astrophysics Data System (ADS)

Hénon, A.; Mestayer, P.; Lagouarde, J.-P.; Lee, J. H.

2009-09-01

Due to the morphological complexity of the urban canopy and to the variability in thermal properties of the building materials, the heterogeneity of the surface temperatures generates a strong directional anisotropy of thermal infrared remote sensing signal. Thermal infrared (TIR) data obtained with an airborne FLIR camera over Toulouse (France) city centre during the CAPITOUL experiment (feb. 2004 - feb. 2005) show brightness temperature anisotropies ranging from 3 °C by night to more than 10 °C by sunny days. These data have been analyzed in view of developing a simple approach to correct TIR satellite remote sensing from the canopy-generated anisotropy, and to further evaluate the sensible heat fluxes. The methodology is based on the identification of 6 different classes of surfaces: roofs, walls and grounds, sunlit or shaded, respectively. The thermo-radiative model SOLENE is used to simulate, with a 1 m resolution computational grid, the surface temperatures of an 18000 m² urban district, in the same meteorological conditions as during the observation. A pixel-by-pixel comparison with both hand-held temperature measurements and airborne camera images allows to assess the actual values of the radiative and thermal parameters of the scene elements. SOLENE is then used to simulate a generic street-canyon geometry, whose sizes average the morphological parameters of the actual streets in the district, for 18 different geographical orientations. The simulated temperatures are then integrated for different viewing positions, taking into account shadowing and masking, and directional temperatures are determined for the 6 surface classes. The class ratios in each viewing direction are derived from images of the district generated by using the POVRAY software, and used to weigh the temperatures of each class and to compute the resulting directional brightness temperature at the district scale for a given sun direction (time in the day). Simulated and measured anisotropies are finally compared for several flights over Toulouse in summer and winter. An inverse method is further proposed to obtain the surface temperatures from the directional brightness temperatures, which may be extended to deduce the sensible heat fluxes separately from the buildings and from the ground.

A Computer Simulation for Predicting the Time Course of Thermal and Cardiovascular Responses to Various Combinations of Heat Stress, Clothing and Exercise

DTIC Science & Technology

1991-06-01

Anderson and A. Keys, Densitometric analysis of body composition : revision of some quantitative assumptions. Ann. N.Y. Acad. Sci. 110: 113-140, 1963. 6...cylinder at midpoint between adjacent compartments [cm] A, = effective radiating area of the body surface [M’] BF,, n rate of blood flow through...Sutalation for Predicting the Time Cou~rse of ’Thermal and Cardiovrascular Responses to varicus Cmtinations of Heat Stresso Clothing and Excercise 6. AUTHOR

Alternative Modal Basis Selection Procedures for Nonlinear Random Response Simulation

NASA Technical Reports Server (NTRS)

Przekop, Adam; Guo, Xinyun; Rizzi, Stephen A.

2010-01-01

Three procedures to guide selection of an efficient modal basis in a nonlinear random response analysis are examined. One method is based only on proper orthogonal decomposition, while the other two additionally involve smooth orthogonal decomposition. Acoustic random response problems are employed to assess the performance of the three modal basis selection approaches. A thermally post-buckled beam exhibiting snap-through behavior, a shallowly curved arch in the auto-parametric response regime and a plate structure are used as numerical test articles. The results of the three reduced-order analyses are compared with the results of the computationally taxing simulation in the physical degrees of freedom. For the cases considered, all three methods are shown to produce modal bases resulting in accurate and computationally efficient reduced-order nonlinear simulations.

Comparison of Computational Results with a Low-g, Nitrogen Slosh and Boiling Experiment

NASA Technical Reports Server (NTRS)

Stewart, Mark; Moder, Jeff

2015-01-01

The proposed paper will compare a fluid/thermal simulation, in FLUENT, with a low-g, nitrogen slosh experiment. The French Space Agency, CNES, performed cryogenic nitrogen experiments in several zero gravity aircraft campaigns. The computational results have been compared with high-speed photographic data, pressure data, and temperature data from sensors on the axis of the cylindrically shaped tank. The comparison between these experimental and computational results is generally favorable: the initial temperature stratification is in good agreement, and the two-phase fluid motion is qualitatively captured.

AN OVERVIEW OF REDUCED ORDER MODELING TECHNIQUES FOR SAFETY APPLICATIONS

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

Mandelli, D.; Alfonsi, A.; Talbot, P.

2016-10-01

The RISMC project is developing new advanced simulation-based tools to perform Computational Risk Analysis (CRA) for the existing fleet of U.S. nuclear power plants (NPPs). These tools numerically model not only the thermal-hydraulic behavior of the reactors primary and secondary systems, but also external event temporal evolution and component/system ageing. Thus, this is not only a multi-physics problem being addressed, but also a multi-scale problem (both spatial, µm-mm-m, and temporal, seconds-hours-years). As part of the RISMC CRA approach, a large amount of computationally-expensive simulation runs may be required. An important aspect is that even though computational power is growing, themore » overall computational cost of a RISMC analysis using brute-force methods may be not viable for certain cases. A solution that is being evaluated to assist the computational issue is the use of reduced order modeling techniques. During the FY2015, we investigated and applied reduced order modeling techniques to decrease the RISMC analysis computational cost by decreasing the number of simulation runs; for this analysis improvement we used surrogate models instead of the actual simulation codes. This article focuses on the use of reduced order modeling techniques that can be applied to RISMC analyses in order to generate, analyze, and visualize data. In particular, we focus on surrogate models that approximate the simulation results but in a much faster time (microseconds instead of hours/days).« less

Thermal noise in confined fluids.

PubMed

Sanghi, T; Aluru, N R

2014-11-07

In this work, we discuss a combined memory function equation (MFE) and generalized Langevin equation (GLE) approach (referred to as MFE/GLE formulation) to characterize thermal noise in confined fluids. Our study reveals that for fluids confined inside nanoscale geometries, the correlation time and the time decay of the autocorrelation function of the thermal noise are not significantly different across the confinement. We show that it is the strong cross-correlation of the mean force with the molecular velocity that gives rise to the spatial anisotropy in the velocity-autocorrelation function of the confined fluids. Further, we use the MFE/GLE formulation to extract the thermal force a fluid molecule experiences in a MD simulation. Noise extraction from MD simulation suggests that the frequency distribution of the thermal force is non-Gaussian. Also, the frequency distribution of the thermal force near the confining surface is found to be different in the direction parallel and perpendicular to the confinement. We also use the formulation to compute the noise correlation time of water confined inside a (6,6) carbon-nanotube (CNT). It is observed that inside the (6,6) CNT, in which water arranges itself in a highly concerted single-file arrangement, the correlation time of thermal noise is about an order of magnitude higher than that of bulk water.

Thermal noise in confined fluids

NASA Astrophysics Data System (ADS)

Sanghi, T.; Aluru, N. R.

2014-11-01

In this work, we discuss a combined memory function equation (MFE) and generalized Langevin equation (GLE) approach (referred to as MFE/GLE formulation) to characterize thermal noise in confined fluids. Our study reveals that for fluids confined inside nanoscale geometries, the correlation time and the time decay of the autocorrelation function of the thermal noise are not significantly different across the confinement. We show that it is the strong cross-correlation of the mean force with the molecular velocity that gives rise to the spatial anisotropy in the velocity-autocorrelation function of the confined fluids. Further, we use the MFE/GLE formulation to extract the thermal force a fluid molecule experiences in a MD simulation. Noise extraction from MD simulation suggests that the frequency distribution of the thermal force is non-Gaussian. Also, the frequency distribution of the thermal force near the confining surface is found to be different in the direction parallel and perpendicular to the confinement. We also use the formulation to compute the noise correlation time of water confined inside a (6,6) carbon-nanotube (CNT). It is observed that inside the (6,6) CNT, in which water arranges itself in a highly concerted single-file arrangement, the correlation time of thermal noise is about an order of magnitude higher than that of bulk water.

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.

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.

Accumulation and transport of microbial-size particles in a pressure protected model burn unit: CFD simulations and experimental evidence

PubMed Central

2011-01-01

Background Controlling airborne contamination is of major importance in burn units because of the high susceptibility of burned patients to infections and the unique environmental conditions that can accentuate the infection risk. In particular the required elevated temperatures in the patient room can create thermal convection flows which can transport airborne contaminates throughout the unit. In order to estimate this risk and optimize the design of an intensive care room intended to host severely burned patients, we have relied on a computational fluid dynamic methodology (CFD). Methods The study was carried out in 4 steps: i) patient room design, ii) CFD simulations of patient room design to model air flows throughout the patient room, adjacent anterooms and the corridor, iii) construction of a prototype room and subsequent experimental studies to characterize its performance iv) qualitative comparison of the tendencies between CFD prediction and experimental results. The Electricité De France (EDF) open-source software Code_Saturne® (http://www.code-saturne.org) was used and CFD simulations were conducted with an hexahedral mesh containing about 300 000 computational cells. The computational domain included the treatment room and two anterooms including equipment, staff and patient. Experiments with inert aerosol particles followed by time-resolved particle counting were conducted in the prototype room for comparison with the CFD observations. Results We found that thermal convection can create contaminated zones near the ceiling of the room, which can subsequently lead to contaminate transfer in adjacent rooms. Experimental confirmation of these phenomena agreed well with CFD predictions and showed that particles greater than one micron (i.e. bacterial or fungal spore sizes) can be influenced by these thermally induced flows. When the temperature difference between rooms was 7°C, a significant contamination transfer was observed to enter into the positive pressure room when the access door was opened, while 2°C had little effect. Based on these findings the constructed burn unit was outfitted with supplemental air exhaust ducts over the doors to compensate for the thermal convective flows. Conclusions CFD simulations proved to be a particularly useful tool for the design and optimization of a burn unit treatment room. Our results, which have been confirmed qualitatively by experimental investigation, stressed that airborne transfer of microbial size particles via thermal convection flows are able to bypass the protective overpressure in the patient room, which can represent a potential risk of cross contamination between rooms in protected environments. PMID:21371304

Accumulation and transport of microbial-size particles in a pressure protected model burn unit: CFD simulations and experimental evidence.

PubMed

Beauchêne, Christian; Laudinet, Nicolas; Choukri, Firas; Rousset, Jean-Luc; Benhamadouche, Sofiane; Larbre, Juliette; Chaouat, Marc; Benbunan, Marc; Mimoun, Maurice; Lajonchère, Jean-Patrick; Bergeron, Vance; Derouin, Francis

2011-03-03

Controlling airborne contamination is of major importance in burn units because of the high susceptibility of burned patients to infections and the unique environmental conditions that can accentuate the infection risk. In particular the required elevated temperatures in the patient room can create thermal convection flows which can transport airborne contaminates throughout the unit. In order to estimate this risk and optimize the design of an intensive care room intended to host severely burned patients, we have relied on a computational fluid dynamic methodology (CFD). The study was carried out in 4 steps: i) patient room design, ii) CFD simulations of patient room design to model air flows throughout the patient room, adjacent anterooms and the corridor, iii) construction of a prototype room and subsequent experimental studies to characterize its performance iv) qualitative comparison of the tendencies between CFD prediction and experimental results. The Electricité De France (EDF) open-source software Code_Saturne® (http://www.code-saturne.org) was used and CFD simulations were conducted with an hexahedral mesh containing about 300 000 computational cells. The computational domain included the treatment room and two anterooms including equipment, staff and patient. Experiments with inert aerosol particles followed by time-resolved particle counting were conducted in the prototype room for comparison with the CFD observations. We found that thermal convection can create contaminated zones near the ceiling of the room, which can subsequently lead to contaminate transfer in adjacent rooms. Experimental confirmation of these phenomena agreed well with CFD predictions and showed that particles greater than one micron (i.e. bacterial or fungal spore sizes) can be influenced by these thermally induced flows. When the temperature difference between rooms was 7°C, a significant contamination transfer was observed to enter into the positive pressure room when the access door was opened, while 2°C had little effect. Based on these findings the constructed burn unit was outfitted with supplemental air exhaust ducts over the doors to compensate for the thermal convective flows. CFD simulations proved to be a particularly useful tool for the design and optimization of a burn unit treatment room. Our results, which have been confirmed qualitatively by experimental investigation, stressed that airborne transfer of microbial size particles via thermal convection flows are able to bypass the protective overpressure in the patient room, which can represent a potential risk of cross contamination between rooms in protected environments.

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

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.

Smart Building: Decision Making Architecture for Thermal Energy Management.

PubMed

Uribe, Oscar Hernández; Martin, Juan Pablo San; Garcia-Alegre, María C; Santos, Matilde; Guinea, Domingo

2015-10-30

Smart applications of the Internet of Things are improving the performance of buildings, reducing energy demand. Local and smart networks, soft computing methodologies, machine intelligence algorithms and pervasive sensors are some of the basics of energy optimization strategies developed for the benefit of environmental sustainability and user comfort. This work presents a distributed sensor-processor-communication decision-making architecture to improve the acquisition, storage and transfer of thermal energy in buildings. The developed system is implemented in a near Zero-Energy Building (nZEB) prototype equipped with a built-in thermal solar collector, where optical properties are analysed; a low enthalpy geothermal accumulation system, segmented in different temperature zones; and an envelope that includes a dynamic thermal barrier. An intelligent control of this dynamic thermal barrier is applied to reduce the thermal energy demand (heating and cooling) caused by daily and seasonal weather variations. Simulations and experimental results are presented to highlight the nZEB thermal energy reduction.

Hierarchical Simulation of Hot Composite Structures

NASA Technical Reports Server (NTRS)

Chamis, C. C.; Murthy, P. L. N.; Singhal, S. N.

1993-01-01

Computational procedures are described to simulate the thermal and mechanical behavior of high temperature metal matrix composites (HT-MMC) in the following three broad areas: (1) Behavior of HT-MMC's from micromechanics to laminate via Metal Matrix Composite Analyzer (METCAN), (2) tailoring of HT-MMC behavior for optimum specific performance via Metal Matrix Laminate Tailoring (MMLT), and (3) HT-MMC structural response for hot structural components via High Temperature Composite Analyzer (HITCAN). Representative results from each area are presented to illustrate the effectiveness of computational simulation procedures. The sample case results show that METCAN can be used to simulate material behavior such as strength, stress-strain response, and cyclic life in HTMMC's; MMLT can be used to tailor the fabrication process for optimum performance such as that for in-service load carrying capacity of HT-MMC's; and HITCAN can be used to evaluate static fracture and fatigue life of hot pressurized metal matrix composite rings.

Combined bending and thermal fatigue of high-temperature metal-matrix composites - Computational simulation

NASA Technical Reports Server (NTRS)

Gotsis, Pascal K.; Chamis, Christos C.

1992-01-01

The nonlinear behavior of a high-temperature metal-matrix composite (HT-MMC) was simulated by using the metal matrix composite analyzer (METCAN) computer code. The simulation started with the fabrication process, proceeded to thermomechanical cyclic loading, and ended with the application of a monotonic load. Classical laminate theory and composite micromechanics and macromechanics are used in METCAN, along with a multifactor interaction model for the constituents behavior. The simulation of the stress-strain behavior from the macromechanical and the micromechanical points of view, as well as the initiation and final failure of the constituents and the plies in the composite, were examined in detail. It was shown that, when the fibers and the matrix were perfectly bonded, the fracture started in the matrix and then propagated with increasing load to the fibers. After the fibers fractured, the composite lost its capacity to carry additional load and fractured.

Combined thermal and bending fatigue of high-temperature metal-matrix composites: Computational simulation

NASA Technical Reports Server (NTRS)

Gotsis, Pascal K.

1991-01-01

The nonlinear behavior of a high-temperature metal-matrix composite (HT-MMC) was simulated by using the metal matrix composite analyzer (METCAN) computer code. The simulation started with the fabrication process, proceeded to thermomechanical cyclic loading, and ended with the application of a monotonic load. Classical laminate theory and composite micromechanics and macromechanics are used in METCAN, along with a multifactor interaction model for the constituents behavior. The simulation of the stress-strain behavior from the macromechanical and the micromechanical points of view, as well as the initiation and final failure of the constituents and the plies in the composite, were examined in detail. It was shown that, when the fibers and the matrix were perfectly bonded, the fracture started in the matrix and then propagated with increasing load to the fibers. After the fibers fractured, the composite lost its capacity to carry additional load and fractured.

Molecular dynamics simulations of thermally activated edge dislocation unpinning from voids in α -Fe

NASA Astrophysics Data System (ADS)

Byggmästar, J.; Granberg, F.; Nordlund, K.

2017-10-01

In this study, thermal unpinning of edge dislocations from voids in α -Fe is investigated by means of molecular dynamics simulations. The activation energy as a function of shear stress and temperature is systematically determined. Simulations with a constant applied stress are compared with dynamic simulations with a constant strain rate. We found that a constant applied stress results in a temperature-dependent activation energy. The temperature dependence is attributed to the elastic softening of iron. If the stress is normalized with the softening of the specific shear modulus, the activation energy is shown to be temperature-independent. From the dynamic simulations, the activation energy as a function of critical shear stress was determined using previously developed methods. The results from the dynamic simulations are in good agreement with the constant stress simulations, after the normalization. This indicates that the computationally more efficient dynamic method can be used to obtain the activation energy as a function of stress and temperature. The obtained relation between stress, temperature, and activation energy can be used to introduce a stochastic unpinning event in larger-scale simulation methods, such as discrete dislocation dynamics.

Fully vectorial laser resonator modeling of continuous-wave solid-state lasers including rate equations, thermal lensing and stress-induced birefringence.

PubMed

Asoubar, Daniel; Wyrowski, Frank

2015-07-27

The computer-aided design of high quality mono-mode, continuous-wave solid-state lasers requires fast, flexible and accurate simulation algorithms. Therefore in this work a model for the calculation of the transversal dominant mode structure is introduced. It is based on the generalization of the scalar Fox and Li algorithm to a fully-vectorial light representation. To provide a flexible modeling concept of different resonator geometries containing various optical elements, rigorous and approximative solutions of Maxwell's equations are combined in different subdomains of the resonator. This approach allows the simulation of plenty of different passive intracavity components as well as active media. For the numerically efficient simulation of nonlinear gain, thermal lensing and stress-induced birefringence effects in solid-state active crystals a semi-analytical vectorial beam propagation method is discussed in detail. As a numerical example the beam quality and output power of a flash-lamp-pumped Nd:YAG laser are improved. To that end we compensate the influence of stress-induced birefringence and thermal lensing by an aspherical mirror and a 90° quartz polarization rotator.

Comparison of the LLNL ALE3D and AKTS Thermal Safety Computer Codes for Calculating Times to Explosion in ODTX and STEX Thermal Cookoff Experiments

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

Wemhoff, A P; Burnham, A K

2006-04-05

Cross-comparison of the results of two computer codes for the same problem provides a mutual validation of their computational methods. This cross-validation exercise was performed for LLNL's ALE3D code and AKTS's Thermal Safety code, using the thermal ignition of HMX in two standard LLNL cookoff experiments: the One-Dimensional Time to Explosion (ODTX) test and the Scaled Thermal Explosion (STEX) test. The chemical kinetics model used in both codes was the extended Prout-Tompkins model, a relatively new addition to ALE3D. This model was applied using ALE3D's new pseudospecies feature. In addition, an advanced isoconversional kinetic approach was used in the AKTSmore » code. The mathematical constants in the Prout-Tompkins code were calibrated using DSC data from hermetically sealed vessels and the LLNL optimization code Kinetics05. The isoconversional kinetic parameters were optimized using the AKTS Thermokinetics code. We found that the Prout-Tompkins model calculations agree fairly well between the two codes, and the isoconversional kinetic model gives very similar results as the Prout-Tompkins model. We also found that an autocatalytic approach in the beta-delta phase transition model does affect the times to explosion for some conditions, especially STEX-like simulations at ramp rates above 100 C/hr, and further exploration of that effect is warranted.« less

Effect of Cyclic Thermo-Mechanical Loads on Fatigue Reliability in Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Shah, A. R.; Murthy, P. L. N.; Chamis, C. C.

1996-01-01

A methodology to compute probabilistic fatigue life of polymer matrix laminated composites has been developed and demonstrated. Matrix degradation effects caused by long term environmental exposure and mechanical/thermal cyclic loads are accounted for in the simulation process. A unified time-temperature-stress dependent multi-factor interaction relationship developed at NASA Lewis Research Center has been used to model the degradation/aging of material properties due to cyclic loads. The fast probability integration method is used to compute probabilistic distribution of response. Sensitivities of fatigue life reliability to uncertainties in the primitive random variables (e.g., constituent properties, fiber volume ratio, void volume ratio, ply thickness, etc.) computed and their significance in the reliability- based design for maximum life is discussed. The effect of variation in the thermal cyclic loads on the fatigue reliability for a (0/+/- 45/90)(sub s) graphite/epoxy laminate with a ply thickness of 0.127 mm, with respect to impending failure modes has been studied. The results show that, at low mechanical cyclic loads and low thermal cyclic amplitudes, fatigue life for 0.999 reliability is most sensitive to matrix compressive strength, matrix modulus, thermal expansion coefficient, and ply thickness. Whereas at high mechanical cyclic loads and high thermal cyclic amplitudes, fatigue life at 0.999 reliability is more sensitive to the shear strength of matrix, longitudinal fiber modulus, matrix modulus, and ply thickness.

Variable gravity research facility

NASA Technical Reports Server (NTRS)

Allan, Sean; Ancheta, Stan; Beine, Donna; Cink, Brian; Eagon, Mark; Eckstein, Brett; Luhman, Dan; Mccowan, Daniel; Nations, James; Nordtvedt, Todd

1988-01-01

Spin and despin requirements; sequence of activities required to assemble the Variable Gravity Research Facility (VGRF); power systems technology; life support; thermal control systems; emergencies; communication systems; space station applications; experimental activities; computer modeling and simulation of tether vibration; cost analysis; configuration of the crew compartments; and tether lengths and rotation speeds are discussed.

Simulation of water solutions of Ni 2+ at infinite dilution

NASA Astrophysics Data System (ADS)

Natália, M.; Cordeiro, D. S.; Ignaczak, Anna; Gomes, José A. N. F.

1993-10-01

A new ab initio pair potential is developed to describe the nickel—water interactions in Ni(II) aqueous solutions. Results of Monte Carlo simulations for the Ni(II)(H 2O) 200 system are presented for this pair potential with and without three-body classical polarization terms (the water—water interaction is described by the ab initio MCY potential). The structure of the solution around Ni(II) is discussed in terms of radial distribution functions, coordination numbers and thermal ellipsoids. The results show that the three-body terms have a non-negligible effect on the simulated solution. In fact, the experimental coordination number of six is reproduced with the full potential while a higher value is predicted when the simple pairwise-additive potential is used. The equilibrium NiO distance for the first hydration shell is also dependent on the use of the three-body terms. Comparison of our distribution functions with those obtained by neutron-diffraction experiments shows a reasonable quantitative agreement. Statistical pattern recognition analysis has also been applied to our simulations in order to better understand the local thermal motion of the water molecules around the metal ion. In this way, thermal ellipsoids have been computed (and graphically displayed) for each atom of the water molecules belonging to the Ni(II) first hydration shell. This analysis revealed that the twisting and bending motions are greater than the radial motion, and that the hydrogens have a higher mobility than the oxygens. In addition, a thermodynamic perturbation method has been incorporated in our Monte Carlo procedure in order to compute the free energy of hydration for the Ni(II) ion. Agreement between these results and the experimental ones is also sufficiently reasonable to demonstrate the feasibility of this new potential for the nickel—water interactions.

Precipitation of energetic neutral atoms and induced non-thermal escape fluxes from the Martian atmosphere

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

Lewkow, N. R.; Kharchenko, V.

2014-08-01

The precipitation of energetic neutral atoms, produced through charge exchange collisions between solar wind ions and thermal atmospheric gases, is investigated for the Martian atmosphere. Connections between parameters of precipitating fast ions and resulting escape fluxes, altitude-dependent energy distributions of fast atoms and their coefficients of reflection from the Mars atmosphere, are established using accurate cross sections in Monte Carlo (MC) simulations. Distributions of secondary hot (SH) atoms and molecules, induced by precipitating particles, have been obtained and applied for computations of the non-thermal escape fluxes. A new collisional database on accurate energy-angular-dependent cross sections, required for description of themore » energy-momentum transfer in collisions of precipitating particles and production of non-thermal atmospheric atoms and molecules, is reported with analytic fitting equations. Three-dimensional MC simulations with accurate energy-angular-dependent cross sections have been carried out to track large ensembles of energetic atoms in a time-dependent manner as they propagate into the Martian atmosphere and transfer their energy to the ambient atoms and molecules. Results of the MC simulations on the energy-deposition altitude profiles, reflection coefficients, and time-dependent atmospheric heating, obtained for the isotropic hard sphere and anisotropic quantum cross sections, are compared. Atmospheric heating rates, thermalization depths, altitude profiles of production rates, energy distributions of SH atoms and molecules, and induced escape fluxes have been determined.« less

Thermal conductance at the interface between crystals using equilibrium and nonequilibrium molecular dynamics

NASA Astrophysics Data System (ADS)

Merabia, Samy; Termentzidis, Konstantinos

2012-09-01

In this article, we compare the results of nonequilibrium (NEMD) and equilibrium (EMD) molecular dynamics methods to compute the thermal conductance at the interface between solids. We propose to probe the thermal conductance using equilibrium simulations measuring the decay of the thermally induced energy fluctuations of each solid. We also show that NEMD and EMD give generally speaking inconsistent results for the thermal conductance: Green-Kubo simulations probe the Landauer conductance between two solids which assumes phonons on both sides of the interface to be at equilibrium. On the other hand, we show that NEMD give access to the out-of-equilibrium interfacial conductance consistent with the interfacial flux describing phonon transport in each solid. The difference may be large and reaches typically a factor 5 for interfaces between usual semiconductors. We analyze finite size effects for the two determinations of the interfacial thermal conductance, and show that the equilibrium simulations suffer from severe size effects as compared to NEMD. We also compare the predictions of the two above-mentioned methods—EMD and NEMD—regarding the interfacial conductance of a series of mass mismatched Lennard-Jones solids. We show that the Kapitza conductance obtained with EMD can be well described using the classical diffuse mismatch model (DMM). On the other hand, NEMD simulation results are consistent with an out-of-equilibrium generalization of the acoustic mismatch model (AMM). These considerations are important in rationalizing previous results obtained using molecular dynamics, and help in pinpointing the physical scattering mechanisms taking place at atomically perfect interfaces between solids, which is a prerequisite to understand interfacial heat transfer across real interfaces.

Iron-carbide cluster thermal dynamics for catalyzed carbon nanotube growth

NASA Astrophysics Data System (ADS)

Ding, Feng; Bolton, Kim; Rosén, Arne

2004-07-01

Molecular dynamics simulations have been used to study the thermal behavior of FeN-mCm clusters where N, the total number of atoms, extends up to 2400. Comparison of the computed results with experimental data shows that the simulations yield the correct trends for the liquid-solid region of the iron-carbide phase diagram as well as the correct dependence of cluster melting point as a function of cluster size. The calculation indicates that, when carbon nanotubes (CNTs) are grown on large (>3-4 nm) catalyst particles at low temperatures (<1200 K), the catalyst particles are not completely molten. It is argued that the mechanism of CNT growth under these conditions may be governed by the surface melting of the cluster. .

Thermal analysis of friction riveting of dissimilar materials

NASA Astrophysics Data System (ADS)

Vignesh, N. J.; Hynes, N. Rajesh Jesudoss

2018-05-01

Friction riveting is a new technique which finds its applications in a variety of domains, where there is a need to join dissimilar materials for the sake of achieving weight reduction of the components produced especially in the fields of aerospace and automobile. In this present work, a numerical simulation on the heat transfer analysis has been done to predict the variation of temperature on the surface of the components being joined. Owing to the applications, Aluminum rivet is chosen for friction riveting on Poly Methyl Metha Acrylate base material. Abaqus explicit version 6.14 has been used to simulate the results of the process. Heat flux at the joint interface has been computed and thermal distribution at the work material is predicted.

Electron Beam Melting and Refining of Metals: Computational Modeling and Optimization

PubMed Central

Vutova, Katia; Donchev, Veliko

2013-01-01

Computational modeling offers an opportunity for a better understanding and investigation of thermal transfer mechanisms. It can be used for the optimization of the electron beam melting process and for obtaining new materials with improved characteristics that have many applications in the power industry, medicine, instrument engineering, electronics, etc. A time-dependent 3D axis-symmetrical heat model for simulation of thermal transfer in metal ingots solidified in a water-cooled crucible at electron beam melting and refining (EBMR) is developed. The model predicts the change in the temperature field in the casting ingot during the interaction of the beam with the material. A modified Pismen-Rekford numerical scheme to discretize the analytical model is developed. These equation systems, describing the thermal processes and main characteristics of the developed numerical method, are presented. In order to optimize the technological regimes, different criteria for better refinement and obtaining dendrite crystal structures are proposed. Analytical problems of mathematical optimization are formulated, discretized and heuristically solved by cluster methods. Using important for the practice simulation results, suggestions can be made for EBMR technology optimization. The proposed tool is important and useful for studying, control, optimization of EBMR process parameters and improving of the quality of the newly produced materials. PMID:28788351

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

Verification of an analytic modeler for capillary pump loop thermal control systems

NASA Technical Reports Server (NTRS)

Schweickart, R. B.; Neiswanger, L.; Ku, J.

1987-01-01

A number of computer programs have been written to model two-phase heat transfer systems for space use. These programs support the design of thermal control systems and provide a method of predicting their performance in the wide range of thermal environments of space. Predicting the performance of one such system known as the capillary pump loop (CPL) is the intent of the CPL Modeler. By modeling two developed CPL systems and comparing the results with actual test data, the CPL Modeler has proven useful in simulating CPL operation. Results of the modeling effort are discussed, together with plans for refinements to the modeler.

Solid rocket booster thermal radiation model, volume 1

NASA Technical Reports Server (NTRS)

Watson, G. H.; Lee, A. L.

1976-01-01

A solid rocket booster (SRB) thermal radiation model, capable of defining the influence of the plume flowfield structure on the magnitude and distribution of thermal radiation leaving the plume, was prepared and documented. Radiant heating rates may be calculated for a single SRB plume or for the dual SRB plumes astride the space shuttle. The plumes may be gimbaled in the yaw and pitch planes. Space shuttle surface geometries are simulated with combinations of quadric surfaces. The effect of surface shading is included. The computer program also has the capability to calculate view factors between the SRB plumes and space shuttle surfaces as well as surface-to-surface view factors.

Modeling Materials: Design for Planetary Entry, Electric Aircraft, and Beyond

NASA Technical Reports Server (NTRS)

Thompson, Alexander; Lawson, John W.

2014-01-01

NASA missions push the limits of what is possible. The development of high-performance materials must keep pace with the agency's demanding, cutting-edge applications. Researchers at NASA's Ames Research Center are performing multiscale computational modeling to accelerate development times and further the design of next-generation aerospace materials. Multiscale modeling combines several computationally intensive techniques ranging from the atomic level to the macroscale, passing output from one level as input to the next level. These methods are applicable to a wide variety of materials systems. For example: (a) Ultra-high-temperature ceramics for hypersonic aircraft-we utilized the full range of multiscale modeling to characterize thermal protection materials for faster, safer air- and spacecraft, (b) Planetary entry heat shields for space vehicles-we computed thermal and mechanical properties of ablative composites by combining several methods, from atomistic simulations to macroscale computations, (c) Advanced batteries for electric aircraft-we performed large-scale molecular dynamics simulations of advanced electrolytes for ultra-high-energy capacity batteries to enable long-distance electric aircraft service; and (d) Shape-memory alloys for high-efficiency aircraft-we used high-fidelity electronic structure calculations to determine phase diagrams in shape-memory transformations. Advances in high-performance computing have been critical to the development of multiscale materials modeling. We used nearly one million processor hours on NASA's Pleiades supercomputer to characterize electrolytes with a fidelity that would be otherwise impossible. For this and other projects, Pleiades enables us to push the physics and accuracy of our calculations to new levels.

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.

Determination of the oil distribution in a hermetic compressor using numerical simulation

NASA Astrophysics Data System (ADS)

Posch, S.; Hopfgartner, J.; Berger, E.; Zuber, B.; Almbauer, R.; Schöllauf, P.

2017-08-01

In addition to the reduction of friction the oil in a hermetic compressor is very important for the transfer of heat from hot parts to the compressor shell. The simulation of the oil distribution in a hermetic reciprocating compressor for refrigeration application is shown in the present work. Using the commercial Computational Fluid Dynamics (CFD) software ANSYS Fluent, the oil flow inside the compressor shell from the oil pump outlet to the oil sump is calculated. A comprehensive overview of the used models and the boundary conditions is given. After reaching steady-state conditions the oil covered surfaces are analysed concerning heat transfer coefficients. The gained heat transfer coefficients are used as input parameters for a thermal model of a hermetic compressor. An increase in accuracy of the thermal model with the simulated heat transfer coefficients compared to values from literature is shown by model validation with experimental data.

Suppressing electron turbulence and triggering internal transport barriers with reversed magnetic shear in the National Spherical Torus Experimenta)

NASA Astrophysics Data System (ADS)

Peterson, J. L.; Bell, R.; Candy, J.; Guttenfelder, W.; Hammett, G. W.; Kaye, S. M.; LeBlanc, B.; Mikkelsen, D. R.; Smith, D. R.; Yuh, H. Y.

2012-05-01

The National Spherical Torus Experiment (NSTX) [M. Ono et al., Nucl. Fusion 40, 557 (2000)] can achieve high electron plasma confinement regimes that are super-critically unstable to the electron temperature gradient driven (ETG) instability. These plasmas, dubbed electron internal transport barriers (e-ITBs), occur when the magnetic shear becomes strongly negative. Using the gyrokinetic code GYRO [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)], the first nonlinear ETG simulations of NSTX e-ITB plasmas reinforce this observation. Local simulations identify a strongly upshifted nonlinear critical gradient for thermal transport that depends on magnetic shear. Global simulations show e-ITB formation can occur when the magnetic shear becomes strongly negative. While the ETG-driven thermal flux at the outer edge of the barrier is large enough to be experimentally relevant, the turbulence cannot propagate past the barrier into the plasma interior.

Simulation of sampling effects in FPAs

NASA Astrophysics Data System (ADS)

Cook, Thomas H.; Hall, Charles S.; Smith, Frederick G.; Rogne, Timothy J.

1991-09-01

The use of multiplexers and large focal plane arrays in advanced thermal imaging systems has drawn renewed attention to sampling and aliasing issues in imaging applications. As evidenced by discussions in a recent workshop, there is no clear consensus among experts whether aliasing in sensor designs can be readily tolerated, or must be avoided at all cost. Further, there is no straightforward, analytical method that can answer the question, particularly when considering image interpreters as different as humans and autonomous target recognizers (ATR). However, the means exist for investigating sampling and aliasing issues through computer simulation. The U.S. Army Tank-Automotive Command (TACOM) Thermal Image Model (TTIM) provides realistic sensor imagery that can be evaluated by both human observers and TRs. This paper briefly describes the history and current status of TTIM, explains the simulation of FPA sampling effects, presents validation results of the FPA sensor model, and demonstrates the utility of TTIM for investigating sampling effects in imagery.

A clustering approach for the analysis of solar energy yields: A case study for concentrating solar thermal power plants

NASA Astrophysics Data System (ADS)

Peruchena, Carlos M. Fernández; García-Barberena, Javier; Guisado, María Vicenta; Gastón, Martín

2016-05-01

The design of Concentrating Solar Thermal Power (CSTP) systems requires a detailed knowledge of the dynamic behavior of the meteorology at the site of interest. Meteorological series are often condensed into one representative year with the aim of data volume reduction and speeding-up of energy system simulations, defined as Typical Meteorological Year (TMY). This approach seems to be appropriate for rather detailed simulations of a specific plant; however, in previous stages of the design of a power plant, especially during the optimization of the large number of plant parameters before a final design is reached, a huge number of simulations are needed. Even with today's technology, the computational effort to simulate solar energy system performance with one year of data at high frequency (as 1-min) may become colossal if a multivariable optimization has to be performed. This work presents a simple and efficient methodology for selecting number of individual days able to represent the electrical production of the plant throughout the complete year. To achieve this objective, a new procedure for determining a reduced set of typical weather data in order to evaluate the long-term performance of a solar energy system is proposed. The proposed methodology is based on cluster analysis and permits to drastically reduce computational effort related to the calculation of a CSTP plant energy yield by simulating a reduced number of days from a high frequency TMY.

Numerical Simulation of DC Coronal Heating

NASA Astrophysics Data System (ADS)

Dahlburg, Russell B.; Einaudi, G.; Taylor, Brian D.; Ugarte-Urra, Ignacio; Warren, Harry; Rappazzo, A. F.; Velli, Marco

2016-05-01

Recent research on observational signatures of turbulent heating of a coronal loop will be discussed. The evolution of the loop is is studied by means of numerical simulations of the fully compressible three-dimensional magnetohydrodynamic equations using the HYPERION code. HYPERION calculates the full energy cycle involving footpoint convection, magnetic reconnection, nonlinear thermal conduction and optically thin radiation. The footpoints of the loop magnetic field are convected by random photospheric motions. As a consequence the magnetic field in the loop is energized and develops turbulent nonlinear dynamics characterized by the continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Dissipation is non-uniformly distributed so that only a fraction of thecoronal mass and volume gets heated at any time. Temperature and density are highly structured at scales which, in the solar corona, remain observationally unresolved: the plasma of the simulated loop is multi thermal, where highly dynamical hotter and cooler plasma strands are scattered throughout the loop at sub-observational scales. Typical simulated coronal loops are 50000 km length and have axial magnetic field intensities ranging from 0.01 to 0.04 Tesla. To connect these simulations to observations the computed number densities and temperatures are used to synthesize the intensities expected in emission lines typically observed with the Extreme ultraviolet Imaging Spectrometer (EIS) on Hinode. These intensities are then employed to compute differential emission measure distributions, which are found to be very similar to those derived from observations of solar active regions.

Microscale electromagnetic heating in heterogeneous energetic materials based on x-ray computed tomography

DOE PAGES

Kort-Kamp, W. J. M.; Cordes, N. L.; Ionita, A.; ...

2016-04-01

Electromagnetic stimulation of energetic materials provides a noninvasive and nondestructive tool for detecting and identifying explosives. We combine structural information based on x-ray computed tomography, experimental dielectric data, and electromagnetic full-wave simulations to study microscale electromagnetic heating of realistic three-dimensional heterogeneous explosives. In conclusion, we analyze the formation of electromagnetic hot spots and thermal gradients in the explosive-binder mesostructures and compare the heating rate for various binder systems.

Microscale electromagnetic heating in heterogeneous energetic materials based on x-ray computed tomography

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

Kort-Kamp, W. J. M.; Cordes, N. L.; Ionita, A.

Electromagnetic stimulation of energetic materials provides a noninvasive and nondestructive tool for detecting and identifying explosives. We combine structural information based on x-ray computed tomography, experimental dielectric data, and electromagnetic full-wave simulations to study microscale electromagnetic heating of realistic three-dimensional heterogeneous explosives. In conclusion, we analyze the formation of electromagnetic hot spots and thermal gradients in the explosive-binder mesostructures and compare the heating rate for various binder systems.

On the contributions of diffusion and thermal activation to electron transfer between Phormidium laminosum plastocyanin and cytochrome f: Brownian dynamics simulations with explicit modeling of nonpolar desolvation interactions and electron transfer events.

PubMed

Gabdoulline, Razif R; Wade, Rebecca C

2009-07-08

The factors that determine the extent to which diffusion and thermal activation processes govern electron transfer (ET) between proteins are debated. The process of ET between plastocyanin (PC) and cytochrome f (CytF) from the cyanobacterium Phormidium laminosum was initially thought to be diffusion-controlled but later was found to be under activation control (Schlarb-Ridley, B. G.; et al. Biochemistry 2005, 44, 6232). Here we describe Brownian dynamics simulations of the diffusional association of PC and CytF, from which ET rates were computed using a detailed model of ET events that was applied to all of the generated protein configurations. The proteins were modeled as rigid bodies represented in atomic detail. In addition to electrostatic forces, which were modeled as in our previous simulations of protein-protein association, the proteins interacted by a nonpolar desolvation (hydrophobic) force whose derivation is described here. The simulations yielded close to realistic residence times of transient protein-protein encounter complexes of up to tens of microseconds. The activation barrier for individual ET events derived from the simulations was positive. Whereas the electrostatic interactions between P. laminosum PC and CytF are weak, simulations for a second cyanobacterial PC-CytF pair, that from Nostoc sp. PCC 7119, revealed ET rates influenced by stronger electrostatic interactions. In both cases, the simulations imply significant contributions to ET from both diffusion and thermal activation processes.

A multi-band, multi-level, multi-electron model for efficient FDTD simulations of electromagnetic interactions with semiconductor quantum wells

NASA Astrophysics Data System (ADS)

Ravi, Koustuban; Wang, Qian; Ho, Seng-Tiong

2015-08-01

We report a new computational model for simulations of electromagnetic interactions with semiconductor quantum well(s) (SQW) in complex electromagnetic geometries using the finite-difference time-domain method. The presented model is based on an approach of spanning a large number of electron transverse momentum states in each SQW sub-band (multi-band) with a small number of discrete multi-electron states (multi-level, multi-electron). This enables accurate and efficient two-dimensional (2-D) and three-dimensional (3-D) simulations of nanophotonic devices with SQW active media. The model includes the following features: (1) Optically induced interband transitions between various SQW conduction and heavy-hole or light-hole sub-bands are considered. (2) Novel intra sub-band and inter sub-band transition terms are derived to thermalize the electron and hole occupational distributions to the correct Fermi-Dirac distributions. (3) The terms in (2) result in an explicit update scheme which circumvents numerically cumbersome iterative procedures. This significantly augments computational efficiency. (4) Explicit update terms to account for carrier leakage to unconfined states are derived, which thermalize the bulk and SQW populations to a common quasi-equilibrium Fermi-Dirac distribution. (5) Auger recombination and intervalence band absorption are included. The model is validated by comparisons to analytic band-filling calculations, simulations of SQW optical gain spectra, and photonic crystal lasers.

Development of a Reduced-Order Three-Dimensional Flow Model for Thermal Mixing and Stratification Simulation during Reactor Transients

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

Hu, Rui

2017-09-03

Mixing, thermal-stratification, and mass transport phenomena in large pools or enclosures play major roles for the safety of reactor systems. Depending on the fidelity requirement and computational resources, various modeling methods, from the 0-D perfect mixing model to 3-D Computational Fluid Dynamics (CFD) models, are available. Each is associated with its own advantages and shortcomings. It is very desirable to develop an advanced and efficient thermal mixing and stratification modeling capability embedded in a modern system analysis code to improve the accuracy of reactor safety analyses and to reduce modeling uncertainties. An advanced system analysis tool, SAM, is being developedmore » at Argonne National Laboratory for advanced non-LWR reactor safety analysis. While SAM is being developed as a system-level modeling and simulation tool, a reduced-order three-dimensional module is under development to model the multi-dimensional flow and thermal mixing and stratification in large enclosures of reactor systems. This paper provides an overview of the three-dimensional finite element flow model in SAM, including the governing equations, stabilization scheme, and solution methods. Additionally, several verification and validation tests are presented, including lid-driven cavity flow, natural convection inside a cavity, laminar flow in a channel of parallel plates. Based on the comparisons with the analytical solutions and experimental results, it is demonstrated that the developed 3-D fluid model can perform very well for a wide range of flow problems.« less

Computational study of 3-D hot-spot initiation in shocked insensitive high-explosive

NASA Astrophysics Data System (ADS)

Najjar, F. M.; Howard, W. M.; Fried, L. E.; Manaa, M. R.; Nichols, A., III; Levesque, G.

2012-03-01

High-explosive (HE) material consists of large-sized grains with micron-sized embedded impurities and pores. Under various mechanical/thermal insults, these pores collapse generating hightemperature regions leading to ignition. A hydrodynamic study has been performed to investigate the mechanisms of pore collapse and hot spot initiation in TATB crystals, employing a multiphysics code, ALE3D, coupled to the chemistry module, Cheetah. This computational study includes reactive dynamics. Two-dimensional high-resolution large-scale meso-scale simulations have been performed. The parameter space is systematically studied by considering various shock strengths, pore diameters and multiple pore configurations. Preliminary 3-D simulations are undertaken to quantify the 3-D dynamics.

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.

Cost efficient CFD simulations: Proper selection of domain partitioning strategies

NASA Astrophysics Data System (ADS)

Haddadi, Bahram; Jordan, Christian; Harasek, Michael

2017-10-01

Computational Fluid Dynamics (CFD) is one of the most powerful simulation methods, which is used for temporally and spatially resolved solutions of fluid flow, heat transfer, mass transfer, etc. One of the challenges of Computational Fluid Dynamics is the extreme hardware demand. Nowadays super-computers (e.g. High Performance Computing, HPC) featuring multiple CPU cores are applied for solving-the simulation domain is split into partitions for each core. Some of the different methods for partitioning are investigated in this paper. As a practical example, a new open source based solver was utilized for simulating packed bed adsorption, a common separation method within the field of thermal process engineering. Adsorption can for example be applied for removal of trace gases from a gas stream or pure gases production like Hydrogen. For comparing the performance of the partitioning methods, a 60 million cell mesh for a packed bed of spherical adsorbents was created; one second of the adsorption process was simulated. Different partitioning methods available in OpenFOAM® (Scotch, Simple, and Hierarchical) have been used with different numbers of sub-domains. The effect of the different methods and number of processor cores on the simulation speedup and also energy consumption were investigated for two different hardware infrastructures (Vienna Scientific Clusters VSC 2 and VSC 3). As a general recommendation an optimum number of cells per processor core was calculated. Optimized simulation speed, lower energy consumption and consequently the cost effects are reported here.

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.

Parametric study of a passive solar-heated house with special attention on evaluating occupant thermal comfort

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

Emery, A.F.; Heerwage, D.R.; Kippehan, C.J.

A parametric study has been conducted of passive heating devices that are to be used to provide environmental conditioning for a single-family house. This study has been performed using the thermal simulation computer program UWENSOL. Climatic data used in this analysis were for Yokohama, Japan, which has a subtropical humid climate similar to Washington, D.C. (in terms of winter air temperatures and useful radiation). Initial studies considered the use of different wall thicknesses, glazing types, and orientations for a Trombe wall and alternate storage quantities for a walk-in greenhouse. Employing a number of comparative parametric studies an economical and efficientmore » combination of devices was selected. Then, using a computer routine COMFORT which is based on the Fanger Comfort Equation, another series of parametric analyses were performed to evaluate the degree of thermal comfort for the occupants of the house. The results of these analyses demonstrated that an averaged Predicted Mean Vote of less than 0.3 from a thermally-neutral condition could be maintained and that less than 10% of all occupants of such a passively-heated house would be thermally uncomfortable.« less

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.

Environmental risk related to specific processes during scrap computer recycling and disposal.

PubMed

Li, Jinhui; Shi, Pixing; Shan, Hongshan; Xie, Yijun

2012-12-01

The purpose of this work was to achieve a better understanding of the generation of toxic chemicals related to specific processes in scrap computer recycling and disposal, such as thermal recycling of printed circuit boards (PCBs) and the landfilling or dumping of cathode ray tubes (CRTs). Tube furnace pyrolysis was carried out to simulate different thermal treatment conditions for the identification of the by-products and potential environmental risk from thermal recycling ofPCBs. The Toxicity Characteristic Leaching Procedure (TCLP) and a column test were used to study the leaching characteristics of lead from waste CRT glass, which is one of the most important environmental concerns arising from the disposal of e-waste. The results indicate that more attention should be paid to the benzene series when recycling PCBs under thermal conditions, especially for workers without any personal protection equipment. The impact of immersion on the leaching of lead from CRT leaded glass was more effective than the impact of washing only by acid rain. Thus when waste leaded glass has to be stored for some reason, the storage facility should be dry.

G-189A analytical simulation of the integrated waste management-water system using radioisotopes for thermal energy

NASA Technical Reports Server (NTRS)

Coggi, J. V.; Loscutoff, A. V.; Barker, R. S.

1973-01-01

An analytical simulation of the RITE-Integrated Waste Management and Water Recovery System using radioisotopes for thermal energy was prepared for the NASA-Manned Space Flight Center (MSFC). The RITE system is the most advanced concept water-waste management system currently under development and has undergone extended duration testing. It has the capability of disposing of nearly all spacecraft wastes including feces and trash and of recovering water from usual waste water sources: urine, condensate, wash water, etc. All of the process heat normally used in the system is produced from low penalty radioisotope heat sources. The analytical simulation was developed with the G189A computer program. The objective of the simulation was to obtain an analytical simulation which can be used to (1) evaluate the current RITE system steady state and transient performance during normal operating conditions, and also during off normal operating conditions including failure modes; and (2) evaluate the effects of variations in component design parameters and vehicle interface parameters on system performance.

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

Simonen, F.A.; Johnson, K.I.; Liebetrau, A.M.

The VISA-II (Vessel Integrity Simulation Analysis code was originally developed as part of the NRC staff evaluation of pressurized thermal shock. VISA-II uses Monte Carlo simulation to evaluate the failure probability of a pressurized water reactor (PWR) pressure vessel subjected to a pressure and thermal transient specified by the user. Linear elastic fracture mechanics methods are used to model crack initiation and propagation. Parameters for initial crack size and location, copper content, initial reference temperature of the nil-ductility transition, fluence, crack-initiation fracture toughness, and arrest fracture toughness are treated as random variables. This report documents an upgraded version of themore » original VISA code as described in NUREG/CR-3384. Improvements include a treatment of cladding effects, a more general simulation of flaw size, shape and location, a simulation of inservice inspection, an updated simulation of the reference temperature of the nil-ductility transition, and treatment of vessels with multiple welds and initial flaws. The code has been extensively tested and verified and is written in FORTRAN for ease of installation on different computers. 38 refs., 25 figs.« less

Simulation of Thermographic Responses of Delaminations in Composites with Quadrupole Method

NASA Technical Reports Server (NTRS)

Winfree, William P.; Zalameda, Joseph N.; Howell, Patricia A.; Cramer, K. Elliott

2016-01-01

The application of the quadrupole method for simulating thermal responses of delaminations in carbon fiber reinforced epoxy composites materials is presented. The method solves for the flux at the interface containing the delamination. From the interface flux, the temperature at the surface is calculated. While the results presented are for single sided measurements, with ash heating, expansion of the technique to arbitrary temporal flux heating or through transmission measurements is simple. The quadrupole method is shown to have two distinct advantages relative to finite element or finite difference techniques. First, it is straight forward to incorporate arbitrary shaped delaminations into the simulation. Second, the quadrupole method enables calculation of the thermal response at only the times of interest. This, combined with a significant reduction in the number of degrees of freedom for the same simulation quality, results in a reduction of the computation time by at least an order of magnitude. Therefore, it is a more viable technique for model based inversion of thermographic data. Results for simulations of delaminations in composites are presented and compared to measurements and finite element method results.

Annealed importance sampling with constant cooling rate

NASA Astrophysics Data System (ADS)

Giovannelli, Edoardo; Cardini, Gianni; Gellini, Cristina; Pietraperzia, Giangaetano; Chelli, Riccardo

2015-02-01

Annealed importance sampling is a simulation method devised by Neal [Stat. Comput. 11, 125 (2001)] to assign weights to configurations generated by simulated annealing trajectories. In particular, the equilibrium average of a generic physical quantity can be computed by a weighted average exploiting weights and estimates of this quantity associated to the final configurations of the annealed trajectories. Here, we review annealed importance sampling from the perspective of nonequilibrium path-ensemble averages [G. E. Crooks, Phys. Rev. E 61, 2361 (2000)]. The equivalence of Neal's and Crooks' treatments highlights the generality of the method, which goes beyond the mere thermal-based protocols. Furthermore, we show that a temperature schedule based on a constant cooling rate outperforms stepwise cooling schedules and that, for a given elapsed computer time, performances of annealed importance sampling are, in general, improved by increasing the number of intermediate temperatures.

Validation of a mixture-averaged thermal diffusion model for premixed lean hydrogen flames

NASA Astrophysics Data System (ADS)

Schlup, Jason; Blanquart, Guillaume

2018-03-01

The mixture-averaged thermal diffusion model originally proposed by Chapman and Cowling is validated using multiple flame configurations. Simulations using detailed hydrogen chemistry are done on one-, two-, and three-dimensional flames. The analysis spans flat and stretched, steady and unsteady, and laminar and turbulent flames. Quantitative and qualitative results using the thermal diffusion model compare very well with the more complex multicomponent diffusion model. Comparisons are made using flame speeds, surface areas, species profiles, and chemical source terms. Once validated, this model is applied to three-dimensional laminar and turbulent flames. For these cases, thermal diffusion causes an increase in the propagation speed of the flames as well as increased product chemical source terms in regions of high positive curvature. The results illustrate the necessity for including thermal diffusion, and the accuracy and computational efficiency of the mixture-averaged thermal diffusion model.

Experimental Results From the Thermal Energy Storage-1 (TES-1) Flight Experiment

NASA Technical Reports Server (NTRS)

Jacqmin, David

1995-01-01

The Thermal Energy Storage (TES) experiments are designed to provide data to help researchers understand the long-duration microgravity behavior of thermal energy storage fluoride salts that undergo repeated melting and freezing. Such data, which have never been obtained before, have direct application to space-based solar dynamic power systems. These power systems will store solar energy in a thermal energy salt, such as lithium fluoride (LiF) or a eutectic of lithium fluoride/calcium difluoride (LiF-CaF2) (which melts at a lower temperature). The energy will be stored as the latent heat of fusion when the salt is melted by absorbing solar thermal energy. The stored energy will then be extracted during the shade portion of the orbit, enabling the solar dynamic power system to provide constant electrical power over the entire orbit. Analytical computer codes have been developed to predict the performance of a spacebased solar dynamic power system. However, the analytical predictions must be verified experimentally before the analytical results can be used for future space power design applications. Four TES flight experiments will be used to obtain the needed experimental data. This article focuses on the flight results from the first experiment, TES-1, in comparison to the predicted results from the Thermal Energy Storage Simulation (TESSIM) analytical computer code.

Wildfire simulation using LES with synthetic-velocity SGS models

NASA Astrophysics Data System (ADS)

McDonough, J. M.; Tang, Tingting

2016-11-01

Wildland fires are becoming more prevalent and intense worldwide as climate change leads to warmer, drier conditions; and large-eddy simulation (LES) is receiving increasing attention for fire spread predictions as computing power continues to improve (see, e.g.,). We report results from wildfire simulations over general terrain employing implicit LES for solution of the incompressible Navier-Stokes (N.-S.) and thermal energy equations with Boussinesq approximation, altered with Darcy, Forchheimer and Brinkman extensions, to represent forested regions as porous media with varying (in both space and time) porosity and permeability. We focus on subgrid-scale (SGS) behaviors computed with a synthetic-velocity model, a discrete dynamical system, based on the poor man's N.-S. equations and investigate the ability of this model to produce fire whirls (tornadoes of fire) at the (unresolved) SGS level. Professor, Mechanical Engineering and Mathematics.

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

Bakosi, Jozsef; Christon, Mark A.; Francois, Marianne M.

This report describes the work carried out for completion of the Thermal Hydraulics Methods (THM) Level 3 Milestone THM.CFD.P5.05 for the Consortium for Advanced Simulation of Light Water Reactors (CASL). A series body-fitted computational meshes have been generated by Numeca's Hexpress/Hybrid, a.k.a. 'Spider', meshing technology for the V5H 3x3 and 5x5 rod bundle geometry used to compute the fluid dynamics of grid-to-rod fretting (GTRF). Spider is easy to use, fast, and automatically generates high-quality meshes for extremely complex geometries, required for the GTRF problem. Hydra-TH has been used to carry out large-eddy simulations on both 3x3 and 5x5 geometries, usingmore » different mesh resolutions. The results analyzed show good agreement with Star-CCM+ simulations and experimental data.« less

An Experimental and Numerical Study of a Supersonic Burner for CFD Model Development

NASA Technical Reports Server (NTRS)

Magnotti, G.; Cutler, A. D.

2008-01-01

A laboratory scale supersonic burner has been developed for validation of computational fluid dynamics models. Detailed numerical simulations were performed for the flow inside the combustor, and coupled with finite element thermal analysis to obtain more accurate outflow conditions. A database of nozzle exit profiles for a wide range of conditions of interest was generated to be used as boundary conditions for simulation of the external jet, or for validation of non-intrusive measurement techniques. A set of experiments was performed to validate the numerical results. In particular, temperature measurements obtained by using an infrared camera show that the computed heat transfer was larger than the measured value. Relaminarization in the convergent part of the nozzle was found to be responsible for this discrepancy, and further numerical simulations sustained this conclusion.

Low-Order Modeling of Internal Heat Transfer in Biomass Particle Pyrolysis

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

Wiggins, Gavin M.; Ciesielski, Peter N.; Daw, C. Stuart

2016-06-16

We present a computationally efficient, one-dimensional simulation methodology for biomass particle heating under conditions typical of fast pyrolysis. Our methodology is based on identifying the rate limiting geometric and structural factors for conductive heat transport in biomass particle models with realistic morphology to develop low-order approximations that behave appropriately. Comparisons of transient temperature trends predicted by our one-dimensional method with three-dimensional simulations of woody biomass particles reveal good agreement, if the appropriate equivalent spherical diameter and bulk thermal properties are used. We conclude that, for particle sizes and heating regimes typical of fast pyrolysis, it is possible to simulate biomassmore » particle heating with reasonable accuracy and minimal computational overhead, even when variable size, aspherical shape, anisotropic conductivity, and complex, species-specific internal pore geometry are incorporated.« less

Space station common module thermal management: Design and construction of a test bed

NASA Technical Reports Server (NTRS)

Barile, R. G.

1986-01-01

In this project, a thermal test bed was designed, simulated, and planned for construction. The thermal system features interior and exterior thermal loads and interfacing with the central-radiator thermal bus. Components of the test bed include body mounted radiator loop with interface heat exchangers (600 Btu/hr); an internal loop with cabin air-conditioning and cold plates (3400 Btu/hr); interface heat exchangers to the central bus (13,000 Btu/hr); and provisions for new technology including advanced radiators, thermal storage, and refrigeration. The apparatus will be mounted in a chamber, heated with lamps, and tested in a vacuum chamber with LN2-cooled walls. Simulation of the test bed was accomplished using a DEC PRO 350 computer and the software package TK! olver. Key input variables were absorbed solar radiation and cold plate loads. The results indicate temperatures on the two loops will be nominal when the radiation and cold plate loads are in the range of 25% to 75% of peak loads. If all loads fall to zero, except the cabin air system which was fixed, the radiator fluid will drop below -100 F and may cause excessive pressure drop. If all loads reach 100%, the cabin air temperature could rise to 96 F.

Implicit Coupling Approach for Simulation of Charring Carbon Ablators

NASA Technical Reports Server (NTRS)

Chen, Yih-Kanq; Gokcen, Tahir

2013-01-01

This study demonstrates that coupling of a material thermal response code and a flow solver with nonequilibrium gas/surface interaction for simulation of charring carbon ablators can be performed using an implicit approach. The material thermal response code used in this study is the three-dimensional version of Fully Implicit Ablation and Thermal response program, which predicts charring material thermal response and shape change on hypersonic space vehicles. The flow code solves the reacting Navier-Stokes equations using Data Parallel Line Relaxation method. Coupling between the material response and flow codes is performed by solving the surface mass balance in flow solver and the surface energy balance in material response code. Thus, the material surface recession is predicted in flow code, and the surface temperature and pyrolysis gas injection rate are computed in material response code. It is demonstrated that the time-lagged explicit approach is sufficient for simulations at low surface heating conditions, in which the surface ablation rate is not a strong function of the surface temperature. At elevated surface heating conditions, the implicit approach has to be taken, because the carbon ablation rate becomes a stiff function of the surface temperature, and thus the explicit approach appears to be inappropriate resulting in severe numerical oscillations of predicted surface temperature. Implicit coupling for simulation of arc-jet models is performed, and the predictions are compared with measured data. Implicit coupling for trajectory based simulation of Stardust fore-body heat shield is also conducted. The predicted stagnation point total recession is compared with that predicted using the chemical equilibrium surface assumption

Heat-driven liquid metal cooling device for the thermal management of a computer chip

NASA Astrophysics Data System (ADS)

Ma, Kun-Quan; Liu, Jing

2007-08-01

The tremendous heat generated in a computer chip or very large scale integrated circuit raises many challenging issues to be solved. Recently, liquid metal with a low melting point was established as the most conductive coolant for efficiently cooling the computer chip. Here, by making full use of the double merits of the liquid metal, i.e. superior heat transfer performance and electromagnetically drivable ability, we demonstrate for the first time the liquid-cooling concept for the thermal management of a computer chip using waste heat to power the thermoelectric generator (TEG) and thus the flow of the liquid metal. Such a device consumes no external net energy, which warrants it a self-supporting and completely silent liquid-cooling module. Experiments on devices driven by one or two stage TEGs indicate that a dramatic temperature drop on the simulating chip has been realized without the aid of any fans. The higher the heat load, the larger will be the temperature decrease caused by the cooling device. Further, the two TEGs will generate a larger current if a copper plate is sandwiched between them to enhance heat dissipation there. This new method is expected to be significant in future thermal management of a desk or notebook computer, where both efficient cooling and extremely low energy consumption are of major concern.

A Nonlinear Adaptive Filter for Gyro Thermal Bias Error Cancellation

NASA Technical Reports Server (NTRS)

Galante, Joseph M.; Sanner, Robert M.

2012-01-01

Deterministic errors in angular rate gyros, such as thermal biases, can have a significant impact on spacecraft attitude knowledge. In particular, thermal biases are often the dominant error source in MEMS gyros after calibration. Filters, such as J\\,fEKFs, are commonly used to mitigate the impact of gyro errors and gyro noise on spacecraft closed loop pointing accuracy, but often have difficulty in rapidly changing thermal environments and can be computationally expensive. In this report an existing nonlinear adaptive filter is used as the basis for a new nonlinear adaptive filter designed to estimate and cancel thermal bias effects. A description of the filter is presented along with an implementation suitable for discrete-time applications. A simulation analysis demonstrates the performance of the filter in the presence of noisy measurements and provides a comparison with existing techniques.

Impact of tensile strain on the thermal transport of zigzag hexagonal boron nitride nanoribbon: An equilibrium molecular dynamics study

NASA Astrophysics Data System (ADS)

Navid, Ishtiaque Ahmed; Intisar Khan, Asir; Subrina, Samia

2018-02-01

The thermal conductivity of single layer strained hexagonal boron nitride nanoribbon (h-BNNR) has been computed using the Green—Kubo formulation of Equilibrium Molecular Dynamics (EMD) simulation. We have investigated the impact of strain on thermal transport of h-BNNR by varying the applied tensile strain from 1% upto 5% through uniaxial loading. The thermal conductivity of h-BNNR decreases monotonically with the increase of uniaxial tensile strain keeping the sample size and temperature constant. The thermal conductivity can be reduced upto 86% for an applied uniaxial tensile strain of 5%. The impact of temperature and width variation on the thermal conductivity of h-BNNR has also been studied under different uniaxial tensile strain conditions. With the increase in temperature, the thermal conductivity of strained h-BNNR exhibits a decaying characteristics whereas it shows an opposite pattern with the increasing width. Such study would provide a good insight on the strain tunable thermal transport for the potential device application of boron nitride nanostructures.

Computational modeling of residual stress formation during the electron beam melting process for Inconel 718

DOE PAGES

Prabhakar, P.; Sames, William J.; Dehoff, Ryan R.; ...

2015-03-28

Here, a computational modeling approach to simulate residual stress formation during the electron beam melting (EBM) process within the additive manufacturing (AM) technologies for Inconel 718 is presented in this paper. The EBM process has demonstrated a high potential to fabricate components with complex geometries, but the resulting components are influenced by the thermal cycles observed during the manufacturing process. When processing nickel based superalloys, very high temperatures (approx. 1000 °C) are observed in the powder bed, base plate, and build. These high temperatures, when combined with substrate adherence, can result in warping of the base plate and affect themore » final component by causing defects. It is important to have an understanding of the thermo-mechanical response of the entire system, that is, its mechanical behavior towards thermal loading occurring during the EBM process prior to manufacturing a component. Therefore, computational models to predict the response of the system during the EBM process will aid in eliminating the undesired process conditions, a priori, in order to fabricate the optimum component. Such a comprehensive computational modeling approach is demonstrated to analyze warping of the base plate, stress and plastic strain accumulation within the material, and thermal cycles in the system during different stages of the EBM process.« less

Efficient simulation and model reformulation of two-dimensional electrochemical thermal behavior of lithium-ion batteries

DOE PAGES

Northrop, Paul W. C.; Pathak, Manan; Rife, Derek; ...

2015-03-09

Lithium-ion batteries are an important technology to facilitate efficient energy storage and enable a shift from petroleum based energy to more environmentally benign sources. Such systems can be utilized most efficiently if good understanding of performance can be achieved for a range of operating conditions. Mathematical models can be useful to predict battery behavior to allow for optimization of design and control. An analytical solution is ideally preferred to solve the equations of a mathematical model, as it eliminates the error that arises when using numerical techniques and is usually computationally cheap. An analytical solution provides insight into the behaviormore » of the system and also explicitly shows the effects of different parameters on the behavior. However, most engineering models, including the majority of battery models, cannot be solved analytically due to non-linearities in the equations and state dependent transport and kinetic parameters. The numerical method used to solve the system of equations describing a battery operation can have a significant impact on the computational cost of the simulation. In this paper, a model reformulation of the porous electrode pseudo three dimensional (P3D) which significantly reduces the computational cost of lithium ion battery simulation, while maintaining high accuracy, is discussed. This reformulation enables the use of the P3D model into applications that would otherwise be too computationally expensive to justify its use, such as online control, optimization, and parameter estimation. Furthermore, the P3D model has proven to be robust enough to allow for the inclusion of additional physical phenomena as understanding improves. In this study, the reformulated model is used to allow for more complicated physical phenomena to be considered for study, including thermal effects.« less

Application of the TEMPEST computer code to canister-filling heat transfer problems

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

Farnsworth, R.K.; Faletti, D.W.; Budden, M.J.

Pacific Northwest Laboratory (PNL) researchers used the TEMPEST computer code to simulate thermal cooldown behavior of nuclear waste glass after it was poured into steel canisters for long-term storage. The objective of this work was to determine the accuracy and applicability of the TEMPEST code when used to compute canister thermal histories. First, experimental data were obtained to provide the basis for comparing TEMPEST-generated predictions. Five canisters were instrumented with appropriately located radial and axial thermocouples. The canister were filled using the pilot-scale ceramic melter (PSCM) at PNL. Each canister was filled in either a continous or a batch fillingmore » mode. One of the canisters was also filled within a turntable simulant (a group of cylindrical shells with heat transfer resistances similar to those in an actual melter turntable). This was necessary to provide a basis for assessing the ability of the TEMPEST code to also model the transient cooling of canisters in a melter turntable. The continous-fill model, Version M, was found to predict temperatures with more accuracy. The turntable simulant experiment demonstrated that TEMPEST can adequately model the asymmetric temperature field caused by the turntable geometry. Further, TEMPEST can acceptably predict the canister cooling history within a turntable, despite code limitations in computing simultaneous radiation and convection heat transfer between shells, along with uncertainty in stainless-steel surface emissivities. Based on the successful performance of TEMPEST Version M, development was initiated to incorporate 1) full viscous glass convection, 2) a dynamically adaptive grid that automatically follows the glass/air interface throughout the transient, and 3) a full enclosure radiation model to allow radiation heat transfer to non-nearest neighbor cells. 5 refs., 47 figs., 17 tabs.« less

Multistage Planetary Power Transmissions

NASA Technical Reports Server (NTRS)

Hadden, G. B.; Dyba, G. J.; Ragen, M. A.; Kleckner, R. J.; Sheynin, L.

1986-01-01

PLANETSYS simulates thermomechanical performance of multistage planetary performance of multistage planetary power transmission. Two versions of code developed, SKF version and NASA version. Major function of program: compute performance characteristics of planet bearing for any of six kinematic inversions. PLANETSYS solves heat-balance equations for either steadystate or transient thermal conditions, and produces temperature maps for mechanical system.

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

Rarefaction Wave Eliminator Concepts For A Large Blast/Thermal Simulator.

DTIC Science & Technology

1985-02-01

hard copies of the pressure-time records. Final data process- ing was completed with the computer, printer , and plotter. Plots of pressure- time records...F ATTN: Prof 0. Zinke Fayetteville, AR 72701 Cdr, CRDC, AMCCOM ATTI: 4O-SPS-IL University of California PM=-J Lawrence Livermore Lab SOM-RSP-A ATTN

Predicting variation in subject thermal response during transcranial magnetic resonance guided focused ultrasound surgery: Comparison in seventeen subject datasets.

PubMed

Vyas, Urvi; Ghanouni, Pejman; Halpern, Casey H; Elias, Jeff; Pauly, Kim Butts

2016-09-01

In transcranial magnetic resonance-guided focused ultrasound (tcMRgFUS) treatments, the acoustic and spatial heterogeneity of the skull cause reflection, absorption, and scattering of the acoustic beams. These effects depend on skull-specific parameters and can lead to patient-specific thermal responses to the same transducer power. In this work, the authors develop a simulation tool to help predict these different experimental responses using 3D heterogeneous tissue models based on the subject CT images. The authors then validate and compare the predicted skull efficiencies to an experimental metric based on the subject thermal responses during tcMRgFUS treatments in a dataset of seventeen human subjects. Seventeen human head CT scans were used to create tissue acoustic models, simulating the effects of reflection, absorption, and scattering of the acoustic beam as it propagates through a heterogeneous skull. The hybrid angular spectrum technique was used to model the acoustic beam propagation of the InSightec ExAblate 4000 head transducer for each subject, yielding maps of the specific absorption rate (SAR). The simulation assumed the transducer was geometrically focused to the thalamus of each subject, and the focal SAR at the target was used as a measure of the simulated skull efficiency. Experimental skull efficiency for each subject was calculated using the thermal temperature maps from the tcMRgFUS treatments. Axial temperature images (with no artifacts) were reconstructed with a single baseline, corrected using a referenceless algorithm. The experimental skull efficiency was calculated by dividing the reconstructed temperature rise 8.8 s after sonication by the applied acoustic power. The simulated skull efficiency using individual-specific heterogeneous models predicts well (R(2) = 0.84) the experimental energy efficiency. This paper presents a simulation model to predict the variation in thermal responses measured in clinical ctMRGFYS treatments while being computationally feasible.

Predicting variation in subject thermal response during transcranial magnetic resonance guided focused ultrasound surgery: Comparison in seventeen subject datasets

PubMed Central

Vyas, Urvi; Ghanouni, Pejman; Halpern, Casey H.; Elias, Jeff; Pauly, Kim Butts

2016-01-01

Purpose: In transcranial magnetic resonance-guided focused ultrasound (tcMRgFUS) treatments, the acoustic and spatial heterogeneity of the skull cause reflection, absorption, and scattering of the acoustic beams. These effects depend on skull-specific parameters and can lead to patient-specific thermal responses to the same transducer power. In this work, the authors develop a simulation tool to help predict these different experimental responses using 3D heterogeneous tissue models based on the subject CT images. The authors then validate and compare the predicted skull efficiencies to an experimental metric based on the subject thermal responses during tcMRgFUS treatments in a dataset of seventeen human subjects. Methods: Seventeen human head CT scans were used to create tissue acoustic models, simulating the effects of reflection, absorption, and scattering of the acoustic beam as it propagates through a heterogeneous skull. The hybrid angular spectrum technique was used to model the acoustic beam propagation of the InSightec ExAblate 4000 head transducer for each subject, yielding maps of the specific absorption rate (SAR). The simulation assumed the transducer was geometrically focused to the thalamus of each subject, and the focal SAR at the target was used as a measure of the simulated skull efficiency. Experimental skull efficiency for each subject was calculated using the thermal temperature maps from the tcMRgFUS treatments. Axial temperature images (with no artifacts) were reconstructed with a single baseline, corrected using a referenceless algorithm. The experimental skull efficiency was calculated by dividing the reconstructed temperature rise 8.8 s after sonication by the applied acoustic power. Results: The simulated skull efficiency using individual-specific heterogeneous models predicts well (R2 = 0.84) the experimental energy efficiency. Conclusions: This paper presents a simulation model to predict the variation in thermal responses measured in clinical ctMRGFYS treatments while being computationally feasible. PMID:27587047

Predicting variation in subject thermal response during transcranial magnetic resonance guided focused ultrasound surgery: Comparison in seventeen subject datasets

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

Vyas, Urvi, E-mail: urvi.vyas@gmail.com; Ghanouni,

Purpose: In transcranial magnetic resonance-guided focused ultrasound (tcMRgFUS) treatments, the acoustic and spatial heterogeneity of the skull cause reflection, absorption, and scattering of the acoustic beams. These effects depend on skull-specific parameters and can lead to patient-specific thermal responses to the same transducer power. In this work, the authors develop a simulation tool to help predict these different experimental responses using 3D heterogeneous tissue models based on the subject CT images. The authors then validate and compare the predicted skull efficiencies to an experimental metric based on the subject thermal responses during tcMRgFUS treatments in a dataset of seventeen humanmore » subjects. Methods: Seventeen human head CT scans were used to create tissue acoustic models, simulating the effects of reflection, absorption, and scattering of the acoustic beam as it propagates through a heterogeneous skull. The hybrid angular spectrum technique was used to model the acoustic beam propagation of the InSightec ExAblate 4000 head transducer for each subject, yielding maps of the specific absorption rate (SAR). The simulation assumed the transducer was geometrically focused to the thalamus of each subject, and the focal SAR at the target was used as a measure of the simulated skull efficiency. Experimental skull efficiency for each subject was calculated using the thermal temperature maps from the tcMRgFUS treatments. Axial temperature images (with no artifacts) were reconstructed with a single baseline, corrected using a referenceless algorithm. The experimental skull efficiency was calculated by dividing the reconstructed temperature rise 8.8 s after sonication by the applied acoustic power. Results: The simulated skull efficiency using individual-specific heterogeneous models predicts well (R{sup 2} = 0.84) the experimental energy efficiency. Conclusions: This paper presents a simulation model to predict the variation in thermal responses measured in clinical ctMRGFYS treatments while being computationally feasible.« less

Computational Simulations of the NASA Langley HyMETS Arc-Jet Facility

NASA Technical Reports Server (NTRS)

Brune, A. J.; Bruce, W. E., III; Glass, D. E.; Splinter, S. C.

2017-01-01

The Hypersonic Materials Environmental Test System (HyMETS) arc-jet facility located at the NASA Langley Research Center in Hampton, Virginia, is primarily used for the research, development, and evaluation of high-temperature thermal protection systems for hypersonic vehicles and reentry systems. In order to improve testing capabilities and knowledge of the test article environment, an effort is underway to computationally simulate the flow-field using computational fluid dynamics (CFD). A detailed three-dimensional model of the arc-jet nozzle and free-jet portion of the flow-field has been developed and compared to calibration probe Pitot pressure and stagnation-point heat flux for three test conditions at low, medium, and high enthalpy. The CFD model takes into account uniform pressure and non-uniform enthalpy profiles at the nozzle inlet as well as catalytic recombination efficiency effects at the probe surface. Comparing the CFD results and test data indicates an effectively fully-catalytic copper surface on the heat flux probe of about 10% efficiency and a 2-3 kpa pressure drop from the arc heater bore, where the pressure is measured, to the plenum section, prior to the nozzle. With these assumptions, the CFD results are well within the uncertainty of the stagnation pressure and heat flux measurements. The conditions at the nozzle exit were also compared with radial and axial velocimetry. This simulation capability will be used to evaluate various three-dimensional models that are tested in the HyMETS facility. An end-to-end aerothermal and thermal simulation of HyMETS test articles will follow this work to provide a better understanding of the test environment, test results, and to aid in test planning. Additional flow-field diagnostic measurements will also be considered to improve the modeling capability.

Modeling Effects of Annealing on Coal Char Reactivity to O 2 and CO 2 , Based on Preparation Conditions

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

Holland, Troy; Bhat, Sham; Marcy, Peter

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive computational fluid dynamics (CFD) simulations are valuable tools in evaluating and deploying oxyfuel and other carbon capture technologies, either as retrofit technologies or for new construction. However, accurate predictive combustor simulations require physically realistic submodels with low computational requirements. A recent sensitivity analysis of a detailed char conversion model (Char Conversion Kinetics (CCK)) found thermal annealing to be an extremely sensitive submodel. In the present work, further analysis of the previous annealing model revealed significant disagreement with numerous datasets from experiments performed after that annealing model was developed. Themore » annealing model was accordingly extended to reflect experimentally observed reactivity loss, because of the thermal annealing of a variety of coals under diverse char preparation conditions. The model extension was informed by a Bayesian calibration analysis. In addition, since oxyfuel conditions include extraordinarily high levels of CO 2, the development of a first-ever CO 2 reactivity loss model due to annealing is presented.« less

Modeling Effects of Annealing on Coal Char Reactivity to O 2 and CO 2 , Based on Preparation Conditions

DOE PAGES

Holland, Troy; Bhat, Sham; Marcy, Peter; ...

2017-08-25

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive computational fluid dynamics (CFD) simulations are valuable tools in evaluating and deploying oxyfuel and other carbon capture technologies, either as retrofit technologies or for new construction. However, accurate predictive combustor simulations require physically realistic submodels with low computational requirements. A recent sensitivity analysis of a detailed char conversion model (Char Conversion Kinetics (CCK)) found thermal annealing to be an extremely sensitive submodel. In the present work, further analysis of the previous annealing model revealed significant disagreement with numerous datasets from experiments performed after that annealing model was developed. Themore » annealing model was accordingly extended to reflect experimentally observed reactivity loss, because of the thermal annealing of a variety of coals under diverse char preparation conditions. The model extension was informed by a Bayesian calibration analysis. In addition, since oxyfuel conditions include extraordinarily high levels of CO 2, the development of a first-ever CO 2 reactivity loss model due to annealing is presented.« less

Numerical models for the diffuse ionized gas in galaxies. I. Synthetic spectra of thermally excited gas with turbulent magnetic reconnection as energy source

NASA Astrophysics Data System (ADS)

Hoffmann, T. L.; Lieb, S.; Pauldrach, A. W. A.; Lesch, H.; Hultzsch, P. J. N.; Birk, G. T.

2012-08-01

Aims: The aim of this work is to verify whether turbulent magnetic reconnection can provide the additional energy input required to explain the up to now only poorly understood ionization mechanism of the diffuse ionized gas (DIG) in galaxies and its observed emission line spectra. Methods: We use a detailed non-LTE radiative transfer code that does not make use of the usual restrictive gaseous nebula approximations to compute synthetic spectra for gas at low densities. Excitation of the gas is via an additional heating term in the energy balance as well as by photoionization. Numerical values for this heating term are derived from three-dimensional resistive magnetohydrodynamic two-fluid plasma-neutral-gas simulations to compute energy dissipation rates for the DIG under typical conditions. Results: Our simulations show that magnetic reconnection can liberate enough energy to by itself fully or partially ionize the gas. However, synthetic spectra from purely thermally excited gas are incompatible with the observed spectra; a photoionization source must additionally be present to establish the correct (observed) ionization balance in the gas.

A quantum–quantum Metropolis algorithm

PubMed Central

Yung, Man-Hong; Aspuru-Guzik, Alán

2012-01-01

The classical Metropolis sampling method is a cornerstone of many statistical modeling applications that range from physics, chemistry, and biology to economics. This method is particularly suitable for sampling the thermal distributions of classical systems. The challenge of extending this method to the simulation of arbitrary quantum systems is that, in general, eigenstates of quantum Hamiltonians cannot be obtained efficiently with a classical computer. However, this challenge can be overcome by quantum computers. Here, we present a quantum algorithm which fully generalizes the classical Metropolis algorithm to the quantum domain. The meaning of quantum generalization is twofold: The proposed algorithm is not only applicable to both classical and quantum systems, but also offers a quantum speedup relative to the classical counterpart. Furthermore, unlike the classical method of quantum Monte Carlo, this quantum algorithm does not suffer from the negative-sign problem associated with fermionic systems. Applications of this algorithm include the study of low-temperature properties of quantum systems, such as the Hubbard model, and preparing the thermal states of sizable molecules to simulate, for example, chemical reactions at an arbitrary temperature. PMID:22215584

Multiple-relaxation-time lattice Boltzmann study of the magnetic field effects on natural convection of non-Newtonian fluids

NASA Astrophysics Data System (ADS)

Yang, Xuguang; Wang, Lei

In this paper, the magnetic field effects on natural convection of power-law non-Newtonian fluids in rectangular enclosures are numerically studied by the multiple-relaxation-time (MRT) lattice Boltzmann method (LBM). To maintain the locality of the LBM, a local computing scheme for shear rate is used. Thus, all simulations can be easily performed on the Graphics Processing Unit (GPU) using NVIDIA’s CUDA, and high computational efficiency can be achieved. The numerical simulations presented here span a wide range of thermal Rayleigh number (104≤Ra≤106), Hartmann number (0≤Ha≤20), power-law index (0.5≤n≤1.5) and aspect ratio (0.25≤AR≤4.0) to identify the different flow patterns and temperature distributions. The results show that the heat transfer rate is increased with the increase of thermal Rayleigh number, while it is decreased with the increase of Hartmann number, and the average Nusselt number is found to decrease with an increase in the power-law index. Moreover, the effects of aspect ratio have also investigated in detail.

Thermal conductivity predictions of herringbone graphite nanofibers using molecular dynamics simulations.

PubMed

Khadem, Masoud H; Wemhoff, Aaron P

2013-02-28

Non-equilibrium molecular dynamics (NEMD) simulations are used to investigate the thermal conductivity of herringbone graphite nanofibers (GNFs) at room temperature by breaking down the axial and transverse conductivity values into intralayer and interlayer components. The optimized Tersoff potential is used to account for intralayer carbon-carbon interactions while the Lennard-Jones potential is used to model the interlayer carbon-carbon interactions. The intralayer thermal conductivity of the graphene layers near room temperature is calculated for different crease angles and number of layers using NEMD with a constant applied heat flux. The edge effect on a layer's thermal conductivity is investigated by computing the thermal conductivity values in both zigzag and armchair directions of the heat flow. The interlayer thermal conductivity is also predicted by imposing hot and cold Nosé-Hoover thermostats on two layers. The limiting case of a 90° crease angle is used to compare the results with those of single-layer graphene and few-layer graphene. The axial and transverse thermal conductivities are then calculated using standard trigonometric conversions of the calculated intralayer and interlayer thermal conductivities, along with calculations of few-layer graphene without a crease. The results show a large influence of the crease angle on the intralayer thermal conductivity, and the saturation of thermal conductivity occurs when number of layers is more than three. The axial thermal conductivity, transverse thermal conductivity in the crease direction, and transverse thermal conductivity normal to the crease for the case of a five-layer herringbone GNF with a 45° crease angle are calculated to be 27 W∕m K, 263 W∕m K, and 1500 W∕m K, respectively, where the axial thermal conductivity is in good agreement with experimental measurements.

Contributions of the ARM Program to Radiative Transfer Modeling for Climate and Weather Applications

NASA Technical Reports Server (NTRS)

Mlawer, Eli J.; Iacono, Michael J.; Pincus, Robert; Barker, Howard W.; Oreopoulos, Lazaros; Mitchell, David L.

2016-01-01

Accurate climate and weather simulations must account for all relevant physical processes and their complex interactions. Each of these atmospheric, ocean, and land processes must be considered on an appropriate spatial and temporal scale, which leads these simulations to require a substantial computational burden. One especially critical physical process is the flow of solar and thermal radiant energy through the atmosphere, which controls planetary heating and cooling and drives the large-scale dynamics that moves energy from the tropics toward the poles. Radiation calculations are therefore essential for climate and weather simulations, but are themselves quite complex even without considering the effects of variable and inhomogeneous clouds. Clear-sky radiative transfer calculations have to account for thousands of absorption lines due to water vapor, carbon dioxide, and other gases, which are irregularly distributed across the spectrum and have shapes dependent on pressure and temperature. The line-by-line (LBL) codes that treat these details have a far greater computational cost than can be afforded by global models. Therefore, the crucial requirement for accurate radiation calculations in climate and weather prediction models must be satisfied by fast solar and thermal radiation parameterizations with a high level of accuracy that has been demonstrated through extensive comparisons with LBL codes. See attachment for continuation.

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

Not Available

Some of the major technical questions associated with the burial of radioactive high-level wastes in geologic formations are related to the thermal environments generated by the waste and the impact of this dissipated heat on the surrounding environment. The design of a high level waste storage facility must be such that the temperature variations that occur do not adversely affect operating personnel and equipment. The objective of this investigation was to assist OWI by determining the thermal environment that would be experienced by personnel and equipment in a waste storage facility in salt. Particular emphasis was placed on determining themore » maximum floor and air temperatures with and without ventilation in the first 30 years after waste emplacement. The assumed facility design differs somewhat from those previously analyzed and reported, but many of the previous parametric surveys are useful for comparison. In this investigation a number of 2-dimensional and 3-dimensional simulations of the heat flow in a repository have been performed on the HEATING5 and TRUMP heat transfer codes. The representative repository constructs used in the simulations are described, as well as the computational models and computer codes. Results of the simulations are presented and discussed. Comparisons are made between the recent results and those from previous analyses. Finally, a summary of study limitations, comparisons, and conclusions is given.« less

Computer-aided engineering of semiconductor integrated circuits

NASA Astrophysics Data System (ADS)

Meindl, J. D.; Dutton, R. W.; Gibbons, J. F.; Helms, C. R.; Plummer, J. D.; Tiller, W. A.; Ho, C. P.; Saraswat, K. C.; Deal, B. E.; Kamins, T. I.

1980-07-01

Economical procurement of small quantities of high performance custom integrated circuits for military systems is impeded by inadequate process, device and circuit models that handicap low cost computer aided design. The principal objective of this program is to formulate physical models of fabrication processes, devices and circuits to allow total computer-aided design of custom large-scale integrated circuits. The basic areas under investigation are (1) thermal oxidation, (2) ion implantation and diffusion, (3) chemical vapor deposition of silicon and refractory metal silicides, (4) device simulation and analytic measurements. This report discusses the fourth year of the program.

A computer aided engineering tool for ECLS systems

NASA Technical Reports Server (NTRS)

Bangham, Michal E.; Reuter, James L.

1987-01-01

The Computer-Aided Systems Engineering and Analysis tool used by NASA for environmental control and life support system design studies is capable of simulating atmospheric revitalization systems, water recovery and management systems, and single-phase active thermal control systems. The designer/analysis interface used is graphics-based, and allows the designer to build a model by constructing a schematic of the system under consideration. Data management functions are performed, and the program is translated into a format that is compatible with the solution routines.

Computational and experimental study of atmospheric moisture in ceramic blocks filled with waste fibres in winter season

NASA Astrophysics Data System (ADS)

Stastnik, S.

2016-06-01

Development of materials for vertical outer building structures tends to application of hollow clay blocks filled with some appropriate insulation material. Ceramic fittings provide high thermal resistance, but the walls built from them suffer from condensation of air humidity in winter season frequently. The paper presents the computational simulation and experimental laboratory validation of moisture behaviour of such masonry with insulation prepared from waste fibres under the Central European climatic conditions.

Effects of entropy changes in anodes and cathodes on the thermal behavior of lithium ion batteries

NASA Astrophysics Data System (ADS)

Williford, Ralph E.; Viswanathan, Vilayanur V.; Zhang, Ji-Guang

The entropy changes (Δ S) in various cathode and anode materials, as well as complete Li-ion batteries, were measured using an electrochemical thermodynamic measurement system (ETMS). A thermal model based on the fundamental properties of individual electrodes was used to obtain transient and equilibrium temperature distributions of Li-ion batteries. The results from theoretical simulations were compared with results obtained in experimental measurements. We found that the detailed shape of the entropy curves strongly depends on the manufacturer of the materials even for the same nominal compositions. LiCoO 2 has a much larger entropy change than LiNi xCo yMn zO 2. This means that LiNi xCo yMn zO 2 is much more thermodynamically stable than LiCoO 2). The temperatures around the positive terminal of a prismatic battery are consistently higher than those at the negative terminal, due to differences in the thermal conductivities of the different terminal connectors. When all other simulation parameters are the same, simulations that use a battery-averaged entropy tend to overestimate the predicted temperatures when compared with simulations that use individual entropies for the anode and the cathode, due to computational averaging.

Computational fluid dynamic (CFD) investigation of thermal uniformity in a thermal cycling based calibration chamber for MEMS

NASA Astrophysics Data System (ADS)

Gui, Xulong; Luo, Xiaobing; Wang, Xiaoping; Liu, Sheng

2015-12-01

Micro-electrical-mechanical system (MEMS) has become important for many industries such as automotive, home appliance, portable electronics, especially with the emergence of Internet of Things. Volume testing with temperature compensation has been essential in order to provide MEMS based sensors with repeatability, consistency, reliability, and durability, but low cost. Particularly, in the temperature calibration test, temperature uniformity of thermal cycling based calibration chamber becomes more important for obtaining precision sensors, as each sensor is different before the calibration. When sensor samples are loaded into the chamber, we usually open the door of the chamber, then place fixtures into chamber and mount the samples on the fixtures. These operations may affect temperature uniformity in the chamber. In order to study the influencing factors of sample-loading on the temperature uniformity in the chamber during calibration testing, numerical simulation work was conducted first. Temperature field and flow field were simulated in empty chamber, chamber with open door, chamber with samples, and chamber with fixtures, respectively. By simulation, it was found that opening chamber door, sample size and number of fixture layers all have effects on flow field and temperature field. By experimental validation, it was found that the measured temperature value was consistent with the simulated temperature value.

NECAP: NASA's Energy-Cost Analysis Program. Part 1: User's manual

NASA Technical Reports Server (NTRS)

Henninger, R. H. (Editor)

1975-01-01

The NECAP is a sophisticated building design and energy analysis tool which has embodied within it all of the latest ASHRAE state-of-the-art techniques for performing thermal load calculation and energy usage predictions. It is a set of six individual computer programs which include: response factor program, data verification program, thermal load analysis program, variable temperature program, system and equipment simulation program, and owning and operating cost program. Each segment of NECAP is described, and instructions are set forth for preparing the required input data and for interpreting the resulting reports.

Majorana Braiding with Thermal Noise.

PubMed

Pedrocchi, Fabio L; DiVincenzo, David P

2015-09-18

We investigate the self-correcting properties of a network of Majorana wires, in the form of a trijunction, in contact with a parity-preserving thermal environment. As opposed to the case where Majorana bound states are immobile, braiding Majorana bound states within a trijunction introduces dangerous error processes that we identify. Such errors prevent the lifetime of the memory from increasing with the size of the system. We confirm our predictions with Monte Carlo simulations. Our findings put a restriction on the degree of self-correction of this specific quantum computing architecture.

Integrated approach for stress analysis of high performance diesel engine cylinder head

NASA Astrophysics Data System (ADS)

Chainov, N. D.; Myagkov, L. L.; Malastowski, N. S.; Blinov, A. S.

2018-03-01

Growing thermal and mechanical loads due to development of engines with high level of a mean effective pressure determine requirements to cylinder head durability. In this paper, computational schemes for thermal and mechanical stress analysis of a high performance diesel engine cylinder head were described. The most important aspects in this approach are the account of temperature fields of conjugated details (valves and saddles), heat transfer modeling in a cooling jacket of a cylinder head and topology optimization of the detail force scheme. Simulation results are shown and analyzed.

CFD Analysis of Flexible Thermal Protection System Shear Configuration Testing in the LCAT Facility

NASA Technical Reports Server (NTRS)

Ferlemann, Paul G.

2014-01-01

This paper documents results of computational analysis performed after flexible thermal protection system shear configuration testing in the LCAT facility. The primary objectives were to predict the shear force on the sample and the sensitivity of all surface properties to the shape of the sample. Bumps of 0.05, 0.10,and 0.15 inches were created to approximate the shape of some fabric samples during testing. A large amount of information was extracted from the CFD solutions for comparison between runs and also current or future flight simulations.

Thermophoretic torque in colloidal particles with mass asymmetry

NASA Astrophysics Data System (ADS)

Olarte-Plata, Juan; Rubi, J. Miguel; Bresme, Fernando

2018-05-01

We investigate the response of anisotropic colloids suspended in a fluid under a thermal field. Using nonequilibrium molecular dynamics computer simulations and nonequilibrium thermodynamics theory, we show that an anisotropic mass distribution inside the colloid rectifies the rotational Brownian motion and the colloids experience transient torques that orient the colloid along the direction of the thermal field. This physical effect gives rise to distinctive changes in the dependence of the Soret coefficient with colloid mass, which features a maximum, unlike the monotonic increase of the thermophoretic force with mass observed in homogeneous colloids.

Parsing partial molar volumes of small molecules: a molecular dynamics study.

PubMed

Patel, Nisha; Dubins, David N; Pomès, Régis; Chalikian, Tigran V

2011-04-28

We used molecular dynamics (MD) simulations in conjunction with the Kirkwood-Buff theory to compute the partial molar volumes for a number of small solutes of various chemical natures. We repeated our computations using modified pair potentials, first, in the absence of the Coulombic term and, second, in the absence of the Coulombic and the attractive Lennard-Jones terms. Comparison of our results with experimental data and the volumetric results of Monte Carlo simulation with hard sphere potentials and scaled particle theory-based computations led us to conclude that, for small solutes, the partial molar volume computed with the Lennard-Jones potential in the absence of the Coulombic term nearly coincides with the cavity volume. On the other hand, MD simulations carried out with the pair interaction potentials containing only the repulsive Lennard-Jones term produce unrealistically large partial molar volumes of solutes that are close to their excluded volumes. Our simulation results are in good agreement with the reported schemes for parsing partial molar volume data on small solutes. In particular, our determined interaction volumes() and the thickness of the thermal volume for individual compounds are in good agreement with empirical estimates. This work is the first computational study that supports and lends credence to the practical algorithms of parsing partial molar volume data that are currently in use for molecular interpretations of volumetric data.

Ultrafast electron diffraction pattern simulations using GPU technology. Applications to lattice vibrations.

PubMed

Eggeman, A S; London, A; Midgley, P A

2013-11-01

Graphical processing units (GPUs) offer a cost-effective and powerful means to enhance the processing power of computers. Here we show how GPUs can greatly increase the speed of electron diffraction pattern simulations by the implementation of a novel method to generate the phase grating used in multislice calculations. The increase in speed is especially apparent when using large supercell arrays and we illustrate the benefits of fast encoding the transmission function representing the atomic potentials through the simulation of thermal diffuse scattering in silicon brought about by specific vibrational modes. © 2013 Elsevier B.V. All rights reserved.

Cryotherapy simulator for localized prostate cancer.

PubMed

Hahn, James K; Manyak, Michael J; Jin, Ge; Kim, Dongho; Rewcastle, John; Kim, Sunil; Walsh, Raymond J

2002-01-01

Cryotherapy is a treatment modality that uses a technique to selectively freeze tissue and thereby cause controlled tissue destruction. The procedure involves placement of multiple small diameter probes through the perineum into the prostate tissue at selected spatial intervals. Transrectal ultrasound is used to properly position the cylindrical probes before activation of the liquid Argon cooling element, which lowers the tissue temperature below -40 degrees Centigrade. Tissue effect is monitored by transrectal ultrasound changes as well as thermocouples placed in the tissue. The computer-based cryotherapy simulation system mimics the major surgical steps involved in the procedure. The simulated real-time ultrasound display is generated from 3-D ultrasound datasets where the interaction of the ultrasound with the instruments as well as the frozen tissue is simulated by image processing. The thermal and mechanical simulations of the tissue are done using a modified finite-difference/finite-element method optimized for real-time performance. The simulator developed is a part of a comprehensive training program, including a computer-based learning system and hands-on training program with a proctor, designed to familiarize the physician with the technique and equipment involved.

Developing and upgrading of solar system thermal energy storage simulation models. Technical progress report, March 1, 1979-February 29, 1980

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

Kuhn, J K; von Fuchs, G F; Zob, A P

1980-05-01

Two water tank component simulation models have been selected and upgraded. These models are called the CSU Model and the Extended SOLSYS Model. The models have been standardized and links have been provided for operation in the TRNSYS simulation program. The models are described in analytical terms as well as in computer code. Specific water tank tests were performed for the purpose of model validation. Agreement between model data and test data is excellent. A description of the limitations has also been included. Streamlining results and criteria for the reduction of computer time have also been shown for both watermore » tank computer models. Computer codes for the models and instructions for operating these models in TRNSYS have also been included, making the models readily available for DOE and industry use. Rock bed component simulation models have been reviewed and a model selected and upgraded. This model is a logical extension of the Mumma-Marvin model. Specific rock bed tests have been performed for the purpose of validation. Data have been reviewed for consistency. Details of the test results concerned with rock characteristics and pressure drop through the bed have been explored and are reported.« less

Heat transfer simulation and retort program adjustment for thermal processing of wheat based Haleem in semi-rigid aluminum containers.

PubMed

Vatankhah, Hamed; Zamindar, Nafiseh; Shahedi Baghekhandan, Mohammad

2015-10-01

A mixed computational strategy was used to simulate and optimize the thermal processing of Haleem, an ancient eastern food, in semi-rigid aluminum containers. Average temperature values of the experiments showed no significant difference (α = 0.05) in contrast to the predicted temperatures at the same positions. According to the model, the slowest heating zone was located in geometrical center of the container. The container geometrical center F0 was estimated to be 23.8 min. A 19 min processing time interval decrease in holding time of the treatment was estimated to optimize the heating operation since the preferred F0 of some starch or meat based fluid foods is about 4.8-7.5 min.

Solar Pilot Plant, Phase I. Preliminary design report. Volume II, Book 2. Central receiver optical model users manual. CDRL item 2. [HELIAKI code

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

None

1977-05-01

HELIAKI is a FORTRAN computer program which simulates the optical/thermal performance of a central receiver solar thermal power plant for the dynamic conversion of solar-generated heat to electricity. The solar power plant which this program simulates consists of a field of individual sun tracking mirror units, or heliostats, redirecting sunlight into a cavity, called the receiver, mounted atop a tower. The program calculates the power retained by that cavity receiver at any point in time or the energy into the receiver over a year's time using a Monte Carlo ray trace technique to solve the multiple integral equations. An artist'smore » concept of this plant is shown.« less

Evaluation of solar thermal power plants using economic and performance simulations

NASA Technical Reports Server (NTRS)

El-Gabawali, N.

1980-01-01

An energy cost analysis is presented for central receiver power plants with thermal storage and point focusing power plants with electrical storage. The present approach is based on optimizing the size of the plant to give the minimum energy cost (in mills/kWe hr) of an annual plant energy production. The optimization is done by considering the trade-off between the collector field size and the storage capacity for a given engine size. The energy cost is determined by the plant cost and performance. The performance is estimated by simulating the behavior of the plant under typical weather conditions. Plant capital and operational costs are estimated based on the size and performance of different components. This methodology is translated into computer programs for automatic and consistent evaluation.

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

Intelligent fault management for the Space Station active thermal control system

NASA Technical Reports Server (NTRS)

Hill, Tim; Faltisco, Robert M.

1992-01-01

The Thermal Advanced Automation Project (TAAP) approach and architecture is described for automating the Space Station Freedom (SSF) Active Thermal Control System (ATCS). The baseline functionally and advanced automation techniques for Fault Detection, Isolation, and Recovery (FDIR) will be compared and contrasted. Advanced automation techniques such as rule-based systems and model-based reasoning should be utilized to efficiently control, monitor, and diagnose this extremely complex physical system. TAAP is developing advanced FDIR software for use on the SSF thermal control system. The goal of TAAP is to join Knowledge-Based System (KBS) technology, using a combination of rules and model-based reasoning, with conventional monitoring and control software in order to maximize autonomy of the ATCS. TAAP's predecessor was NASA's Thermal Expert System (TEXSYS) project which was the first large real-time expert system to use both extensive rules and model-based reasoning to control and perform FDIR on a large, complex physical system. TEXSYS showed that a method is needed for safely and inexpensively testing all possible faults of the ATCS, particularly those potentially damaging to the hardware, in order to develop a fully capable FDIR system. TAAP therefore includes the development of a high-fidelity simulation of the thermal control system. The simulation provides realistic, dynamic ATCS behavior and fault insertion capability for software testing without hardware related risks or expense. In addition, thermal engineers will gain greater confidence in the KBS FDIR software than was possible prior to this kind of simulation testing. The TAAP KBS will initially be a ground-based extension of the baseline ATCS monitoring and control software and could be migrated on-board as additional computation resources are made available.

Numerical Modeling of Saturated Boiling in a Heated Tube

NASA Technical Reports Server (NTRS)

Majumdar, Alok; LeClair, Andre; Hartwig, Jason

2017-01-01

This paper describes a mathematical formulation and numerical solution of boiling in a heated tube. The mathematical formulation involves a discretization of the tube into a flow network consisting of fluid nodes and branches and a thermal network consisting of solid nodes and conductors. In the fluid network, the mass, momentum and energy conservation equations are solved and in the thermal network, the energy conservation equation of solids is solved. A pressure-based, finite-volume formulation has been used to solve the equations in the fluid network. The system of equations is solved by a hybrid numerical scheme which solves the mass and momentum conservation equations by a simultaneous Newton-Raphson method and the energy conservation equation by a successive substitution method. The fluid network and thermal network are coupled through heat transfer between the solid and fluid nodes which is computed by Chen's correlation of saturated boiling heat transfer. The computer model is developed using the Generalized Fluid System Simulation Program and the numerical predictions are compared with test data.

Modelling the thermal X-ray emission around the Galactic centre from colliding Wolf-Rayet winds

NASA Astrophysics Data System (ADS)

Russell, Christopher M. P.; Wang, Q. Daniel; Cuadra, Jorge

2017-11-01

We compute the thermal X-ray emission from hydrodynamic simulations of the 30 Wolf-Rayet (WR) stars orbiting within a parsec of Sgr A*, with the aim of interpreting the Chandra X-ray observations of this region. The model well reproduces the spectral shape of the observations, indicating that the shocked WR winds are the dominant source of this thermal emission. The model X-ray flux is tied to the strength of the Sgr A* outflow, which clears out hot gas from the vicinity of Sgr A*. A moderate outflow best fits the present-day observations, even though this supermassive black hole (SMBH) outflow ended ~100 yr ago.

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.

Thermal analysis of a planetary transmission with spherical roller bearings operating after complete loss of oil

NASA Technical Reports Server (NTRS)

Coe, H. H.

1984-01-01

Planetsys and Spherbean, two computer programs developed for the analysis of rolling element bearings, were used to simulate the thermal performance of an OH-58 helicopter main rotor transmission. A steady state and a transient thermal analysis were made and temperatures thus calculated were compared with experimental data obtained from a transmission that was operated to destruction, which occurred about 30 min after all the oil was drained from the transmission. Temperatures predicted by Spherbean were within 3% of the corresponding measured values at 15 min elapsed time and within 9% at 25 min. Spherbean also indicates a potential for high bearing cage temperatures with misalignment and outer ring rotation.

Features of the rupture of free hanging liquid film under the action of a thermal load

NASA Astrophysics Data System (ADS)

Ovcharova, Alla S.

2011-10-01

We consider a deformation and a rupture of a thin liquid film which is hanging between two solid flat walls under the action of concentrated thermal load action. A two-dimensional model is applied to describe the motion of thin layers of viscous non-isothermal liquid under micro-gravity conditions. For flow simulation, two-dimensional Navier-Stokes equations are used. A computational analysis of the influence of thermal loads on the deformation and the rupture behavior of the thin freely hanging film is carried out. It is shown that the rupture of the thin film with generation of a droplet can occur under the thermal beam of specific width acting on the free surface of the film. The results of the model problem solutions are presented.

TOUGH2Biot - A simulator for coupled thermal-hydrodynamic-mechanical processes in subsurface flow systems: Application to CO2 geological storage and geothermal development

NASA Astrophysics Data System (ADS)

Lei, Hongwu; Xu, Tianfu; Jin, Guangrong

2015-04-01

Coupled thermal-hydrodynamic-mechanical processes have become increasingly important in studying the issues affecting subsurface flow systems, such as CO2 sequestration in deep saline aquifers and geothermal development. In this study, a mechanical module based on the extended Biot consolidation model was developed and incorporated into the well-established thermal-hydrodynamic simulator TOUGH2, resulting in an integrated numerical THM simulation program TOUGH2Biot. A finite element method was employed to discretize space for rock mechanical calculation and the Mohr-Coulomb failure criterion was used to determine if the rock undergoes shear-slip failure. Mechanics is partly coupled with the thermal-hydrodynamic processes and gives feedback to flow through stress-dependent porosity and permeability. TOUGH2Biot was verified against analytical solutions for the 1D Terzaghi consolidation and cooling-induced subsidence. TOUGH2Biot was applied to evaluate the thermal, hydrodynamic, and mechanical responses of CO2 geological sequestration at the Ordos CCS Demonstration Project, China and geothermal exploitation at the Geysers geothermal field, California. The results demonstrate that TOUGH2Biot is capable of analyzing change in pressure and temperature, displacement, stress, and potential shear-slip failure caused by large scale underground man-made activity in subsurface flow systems. TOUGH2Biot can also be easily extended for complex coupled process problems in fractured media and be conveniently updated to parallel versions on different platforms to take advantage of high-performance computing.

David Florida Laboratory Thermal Vacuum Data Processing System

NASA Technical Reports Server (NTRS)

Choueiry, Elie

1994-01-01

During 1991, the Space Simulation Facility conducted a survey to assess the requirements and analyze the merits for purchasing a new thermal vacuum data processing system for its facilities. A new, integrated, cost effective PC-based system was purchased which uses commercial off-the-shelf software for operation and control. This system can be easily reconfigured and allows its users to access a local area network. In addition, it provides superior performance compared to that of the former system which used an outdated mini-computer and peripheral hardware. This paper provides essential background on the old data processing system's features, capabilities, and the performance criteria that drove the genesis of its successor. This paper concludes with a detailed discussion of the thermal vacuum data processing system's components, features, and its important role in supporting our space-simulation environment and our capabilities for spacecraft testing. The new system was tested during the ANIK E spacecraft test, and was fully operational in November 1991.

Mechanisms of propylene glycol and triacetin pyrolysis.

PubMed

Laino, Teodoro; Tuma, Christian; Moor, Philippe; Martin, Elyette; Stolz, Steffen; Curioni, Alessandro

2012-05-10

Propylene glycol and triacetin are chemical compounds, commonly used as food additives. Though the usage of the pure chemicals is not considered harmful when used as dietary supplements, little is known about the nature of their thermal degradation products and the impact they may have on human health. For these reasons, in this manuscript we investigate the thermal decomposition mechanisms of both neutral propylene glycol and triacetin in the gas phase by a novel simulation framework. This is based on a free energy sampling methodology followed by an accurate energy refinement. Structures, Gibbs free energy barriers, and rate constants at 800 K were computed for the different steps involved in the two pyrolytic processes. The thermal decomposition mechanisms found theoretically for propylene glycol and triacetin were validated by a qualitative experimental investigation using gas-phase chromatography-mass spectroscopy, with excellent agreement. The results provide a validation of the novel simulation framework and shed light on the potential hazard to the health that propylene glycol and triacetin may have when exposed to high temperatures.

Exploring the X-ray Morphology of the Supernova Remnant Kes 27 using Numerical Simulations

NASA Astrophysics Data System (ADS)

Dwarkadas, Vikram; Dewey, D.

2013-04-01

Kesteven 27 is a member of the class of thermal composite or mixed-morphology remnants, which can show thermal X-ray emission extending all the way in towards the center. The Chandra image shows two incomplete shell-like features in the north-eastern half, with brightness fading towards the southwest. The X-ray and radio structure led Chen et al. (2008) to suggest that the morphology represents a supernova remnant expanding in a windblown bubble. The two X-ray rings represent the outer shock of the supernova remnant, and a reflected shock arising from collision with a dense shell. Using numerical simulations followed by a computation of the X-ray emission, we explore this possibility. Our initial modeling suggests that the scenario discussed by Chen et al. (2008) may not work. We suggest and discuss modifications to this scenario that may be able to reproduce the observed morphology, and the implications for thermal composite remnants.

Understanding CO2 decomposition by thermal plasma with supersonic expansion quench

NASA Astrophysics Data System (ADS)

Tao, YANG; Jun, SHEN; Tangchun, RAN; Jiao, LI; Pan, CHEN; Yongxiang, YIN

2018-04-01

CO2 pyrolysis by thermal plasma was investigated, and a high conversion rate of 33% and energy efficiency of 17% were obtained. The high performance benefited from a novel quenching method, which synergizes the converging nozzle and cooling tube. To understand the synergy effect, a computational fluid dynamics simulation was carried out. A quick quenching rate of 107 K s‑1 could be expected when the pyrolysis gas temperature decreased from more than 3000 to 1000 K. According to the simulation results, the quenching mechanism was discussed as follows: first, the compressible fluid was adiabatically expanded in the converging nozzle and accelerated to sonic speed, and parts of the heat energy converted to convective kinetic energy; second, the sonic fluid jet into the cooling tube formed a strong eddy, which greatly enhanced the heat transfer between the inverse-flowing fluid and cooling tube. These two mechanisms ensure a quick quenching to prevent the reverse reaction of CO2 pyrolysis gas when it flows out from the thermal plasma reactor.

Demonstration of EnergyNest thermal energy storage (TES) technology

NASA Astrophysics Data System (ADS)

Hoivik, Nils; Greiner, Christopher; Tirado, Eva Bellido; Barragan, Juan; Bergan, Pâl; Skeie, Geir; Blanco, Pablo; Calvet, Nicolas

2017-06-01

This paper presents the experimental results from the EnergyNest 2 × 500 kWhth thermal energy storage (TES) pilot system installed at Masdar Institute of Science & Technology Solar Platform. Measured data are shown and compared to simulations using a specially developed computer program to verify the stability and performance of the TES. The TES is based on a solid-state concrete storage medium (HEATCRETE®) with integrated steel tube heat exchangers cast into the concrete. The unique concrete recipe used in the TES has been developed in collaboration with Heidelberg Cement; this material has significantly higher thermal conductivity compared to regular concrete implying very effective heat transfer, at the same time being chemically stable up to 450 °C. The demonstrated and measured performance of the TES matches the predictions based on simulations, and proves the operational feasibility of the EnergyNest concrete-based TES. A further case study is analyzed where a large-scale TES system presented in this article is compared to two-tank indirect molten salt technology.

Computational aspects in high intensity ultrasonic surgery planning.

PubMed

Pulkkinen, A; Hynynen, K

2010-01-01

Therapeutic ultrasound treatment planning is discussed and computational aspects regarding it are reviewed. Nonlinear ultrasound simulations were solved with a combined frequency domain Rayleigh and KZK model. Ultrasonic simulations were combined with thermal simulations and were used to compute heating of muscle tissue in vivo for four different focused ultrasound transducers. The simulations were compared with measurements and good agreement was found for large F-number transducers. However, at F# 1.9 the simulated rate of temperature rise was approximately a factor of 2 higher than the measured ones. The power levels used with the F# 1 transducer were too low to show any nonlinearity. The simulations were used to investigate the importance of nonlinarities generated in the coupling water, and also the importance of including skin in the simulations. Ignoring either of these in the model would lead to larger errors. Most notably, the nonlinearities generated in the water can enhance the focal temperature by more than 100%. The simulations also demonstrated that pulsed high power sonications may provide an opportunity to significantly (up to a factor of 3) reduce the treatment time. In conclusion, nonlinear propagation can play an important role in shaping the energy distribution during a focused ultrasound treatment and it should not be ignored in planning. However, the current simulation methods are accurate only with relatively large F-numbers and better models need to be developed for sharply focused transducers. Copyright 2009 Elsevier Ltd. All rights reserved.

Computational Model of Heat Transfer on the ISS

NASA Technical Reports Server (NTRS)

Torian, John G.; Rischar, Michael L.

2008-01-01

SCRAM Lite (SCRAM signifies Station Compact Radiator Analysis Model) is a computer program for analyzing convective and radiative heat-transfer and heat-rejection performance of coolant loops and radiators, respectively, in the active thermal-control systems of the International Space Station (ISS). SCRAM Lite is a derivative of prior versions of SCRAM but is more robust. SCRAM Lite computes thermal operating characteristics of active heat-transport and heat-rejection subsystems for the major ISS configurations from Flight 5A through completion of assembly. The program performs integrated analysis of both internal and external coolant loops of the various ISS modules and of an external active thermal control system, which includes radiators and the coolant loops that transfer heat to the radiators. The SCRAM Lite run time is of the order of one minute per day of mission time. The overall objective of the SCRAM Lite simulation is to process input profiles of equipment-rack, crew-metabolic, and other heat loads to determine flow rates, coolant supply temperatures, and available radiator heat-rejection capabilities. Analyses are performed for timelines of activities, orbital parameters, and attitudes for mission times ranging from a few hours to several months.

Heat Exchange in “Human body - Thermal protection - Environment” System

NASA Astrophysics Data System (ADS)

Khromova, I. V.

2017-11-01

This article is devoted to the issues of simulation and calculation of thermal processes in the system called “Human body - Thermal protection - Environment” under low temperature conditions. It considers internal heat sources and convective heat transfer between calculated elements. Overall this is important for the Heat Transfer Theory. The article introduces complex heat transfer calculation method and local thermophysical parameters calculation method in the system called «Human body - Thermal protection - Environment», considering passive and active thermal protections, thermophysical and geometric properties of calculated elements in a wide range of environmental parameters (water, air). It also includes research on the influence that thermal resistance of modern materials, used in special protective clothes development, has on heat transfer in the system “Human body - Thermal protection - Environment”. Analysis of the obtained results allows adding of the computer research data to experiments and optimizing of individual life-support system elements, which are intended to protect human body from exposure to external factors.

Smart Building: Decision Making Architecture for Thermal Energy Management

PubMed Central

Hernández Uribe, Oscar; San Martin, Juan Pablo; Garcia-Alegre, María C.; Santos, Matilde; Guinea, Domingo

2015-01-01

Smart applications of the Internet of Things are improving the performance of buildings, reducing energy demand. Local and smart networks, soft computing methodologies, machine intelligence algorithms and pervasive sensors are some of the basics of energy optimization strategies developed for the benefit of environmental sustainability and user comfort. This work presents a distributed sensor-processor-communication decision-making architecture to improve the acquisition, storage and transfer of thermal energy in buildings. The developed system is implemented in a near Zero-Energy Building (nZEB) prototype equipped with a built-in thermal solar collector, where optical properties are analysed; a low enthalpy geothermal accumulation system, segmented in different temperature zones; and an envelope that includes a dynamic thermal barrier. An intelligent control of this dynamic thermal barrier is applied to reduce the thermal energy demand (heating and cooling) caused by daily and seasonal weather variations. Simulations and experimental results are presented to highlight the nZEB thermal energy reduction. PMID:26528978

Laser treatment of female stress urinary incontinence: optical, thermal, and tissue damage simulations

NASA Astrophysics Data System (ADS)

Hardy, Luke A.; Chang, Chun-Hung; Myers, Erinn M.; Kennelly, Michael J.; Fried, Nathaniel M.

2016-02-01

Treatment of female stress urinary incontinence (SUI) by laser thermal remodeling of subsurface tissues is studied. Light transport, heat transfer, and thermal damage simulations were performed for transvaginal and transurethral methods. Monte Carlo (MC) provided absorbed photon distributions in tissue layers (vaginal wall, endopelvic fascia, urethral wall). Optical properties (n,μa,μs,g) were assigned to each tissue at λ=1064 nm. A 5-mm-diameter laser beam and power of 5 W for 15 s was used, based on previous experiments. MC output was converted into absorbed energy, serving as input for ANSYS finite element heat transfer simulations of tissue temperatures over time. Convective heat transfer was simulated with contact cooling probe set at 0 °C. Thermal properties (κ,c,ρ) were assigned to each tissue layer. MATLAB code was used for Arrhenius integral thermal damage calculations. A temperature matrix was constructed from ANSYS output, and finite sum was incorporated to approximate Arrhenius integral calculations. Tissue damage properties (Ea,A) were used to compute Arrhenius sums. For the transvaginal approach, 37% of energy was absorbed in endopelvic fascia layer with 0.8% deposited beyond it. Peak temperature was 71°C, treatment zone was 0.8-mm-diameter, and almost all of 2.7-mm-thick vaginal wall was preserved. For transurethral approach, 18% energy was absorbed in endopelvic fascia with 0.3% deposited beyond it. Peak temperature was 80°C, treatment zone was 2.0-mm-diameter, and only 0.6 mm of 2.4-mm-thick urethral wall was preserved. A transvaginal approach is more feasible than transurethral approach for laser treatment of SUI.

Thermodynamic Modeling and Analysis of Human Stress Response

NASA Technical Reports Server (NTRS)

Boregowda, S. C.; Tiwari, S. N.

1999-01-01

A novel approach based on the second law of thermodynamics is developed to investigate the psychophysiology and quantify human stress level. Two types of stresses (thermal and mental) are examined. A Unified Stress Response Theory (USRT) is developed under the new proposed field of study called Engineering Psychophysiology. The USRT is used to investigate both thermal and mental stresses from a holistic (human body as a whole) and thermodynamic viewpoint. The original concepts and definitions are established as postulates which form the basis for thermodynamic approach to quantify human stress level. An Objective Thermal Stress Index (OTSI) is developed by applying the second law of thermodynamics to the human thermal system to quantify thermal stress or dis- comfort in the human body. The human thermal model based on finite element method is implemented. It is utilized as a "Computational Environmental Chamber" to conduct series of simulations to examine the human thermal stress responses under different environmental conditions. An innovative hybrid technique is developed to analyze human thermal behavior based on series of human-environment interaction simulations. Continuous monitoring of thermal stress is demonstrated with the help of OTSI. It is well established that the human thermal system obeys the second law of thermodynamics. Further, the OTSI is validated against the experimental data. Regarding mental stress, an Objective Mental Stress Index (OMSI) is developed by applying the Maxwell relations of thermodynamics to the combined thermal and cardiovascular system in the human body. The OMSI is utilized to demonstrate the technique of monitoring mental stress continuously and is validated with the help of series of experimental studies. Although the OMSI indicates the level of mental stress, it provides a strong thermodynamic and mathematical relationship between activities of thermal and cardiovascular systems of the human body.

Unsteady Three-Dimensional Simulation of a Shear Coaxial GO2/GH2 Rocket Injector with RANS and Hybrid-RAN-LES/DES Using Flamelet Models

NASA Technical Reports Server (NTRS)

Westra, Doug G.; West, Jeffrey S.; Richardson, Brian R.

2015-01-01

Historically, the analysis and design of liquid rocket engines (LREs) has relied on full-scale testing and one-dimensional empirical tools. The testing is extremely expensive and the one-dimensional tools are not designed to capture the highly complex, and multi-dimensional features that are inherent to LREs. Recent advances in computational fluid dynamics (CFD) tools have made it possible to predict liquid rocket engine performance, stability, to assess the effect of complex flow features, and to evaluate injector-driven thermal environments, to mitigate the cost of testing. Extensive efforts to verify and validate these CFD tools have been conducted, to provide confidence for using them during the design cycle. Previous validation efforts have documented comparisons of predicted heat flux thermal environments with test data for a single element gaseous oxygen (GO2) and gaseous hydrogen (GH2) injector. The most notable validation effort was a comprehensive validation effort conducted by Tucker et al. [1], in which a number of different groups modeled a GO2/GH2 single element configuration by Pal et al [2]. The tools used for this validation comparison employed a range of algorithms, from both steady and unsteady Reynolds Averaged Navier-Stokes (U/RANS) calculations, large-eddy simulations (LES), detached eddy simulations (DES), and various combinations. A more recent effort by Thakur et al. [3] focused on using a state-of-the-art CFD simulation tool, Loci/STREAM, on a two-dimensional grid. Loci/STREAM was chosen because it has a unique, very efficient flamelet parameterization of combustion reactions that are too computationally expensive to simulate with conventional finite-rate chemistry calculations. The current effort focuses on further advancement of validation efforts, again using the Loci/STREAM tool with the flamelet parameterization, but this time with a three-dimensional grid. Comparisons to the Pal et al. heat flux data will be made for both RANS and Hybrid RANSLES/ Detached Eddy simulations (DES). Computation costs will be reported, along with comparison of accuracy and cost to much less expensive two-dimensional RANS simulations of the same geometry.

Model Reduction of Computational Aerothermodynamics for Multi-Discipline Analysis in High Speed Flows

NASA Astrophysics Data System (ADS)

Crowell, Andrew Rippetoe

This dissertation describes model reduction techniques for the computation of aerodynamic heat flux and pressure loads for multi-disciplinary analysis of hypersonic vehicles. NASA and the Department of Defense have expressed renewed interest in the development of responsive, reusable hypersonic cruise vehicles capable of sustained high-speed flight and access to space. However, an extensive set of technical challenges have obstructed the development of such vehicles. These technical challenges are partially due to both the inability to accurately test scaled vehicles in wind tunnels and to the time intensive nature of high-fidelity computational modeling, particularly for the fluid using Computational Fluid Dynamics (CFD). The aim of this dissertation is to develop efficient and accurate models for the aerodynamic heat flux and pressure loads to replace the need for computationally expensive, high-fidelity CFD during coupled analysis. Furthermore, aerodynamic heating and pressure loads are systematically evaluated for a number of different operating conditions, including: simple two-dimensional flow over flat surfaces up to three-dimensional flows over deformed surfaces with shock-shock interaction and shock-boundary layer interaction. An additional focus of this dissertation is on the implementation and computation of results using the developed aerodynamic heating and pressure models in complex fluid-thermal-structural simulations. Model reduction is achieved using a two-pronged approach. One prong focuses on developing analytical corrections to isothermal, steady-state CFD flow solutions in order to capture flow effects associated with transient spatially-varying surface temperatures and surface pressures (e.g., surface deformation, surface vibration, shock impingements, etc.). The second prong is focused on minimizing the computational expense of computing the steady-state CFD solutions by developing an efficient surrogate CFD model. The developed two-pronged approach is found to exhibit balanced performance in terms of accuracy and computational expense, relative to several existing approaches. This approach enables CFD-based loads to be implemented into long duration fluid-thermal-structural simulations.

Effect of different types of surfactants on the microstructure of methyltrimethoxysilane-derived silica aerogels: A combined experimental and computational approach.

PubMed

Vareda, João P; Maximiano, Pedro; Cunha, Luís P; Ferreira, André F; Simões, Pedro N; Durães, Luísa

2018-02-15

Surfactants interfere with sol-gel particle/pore growth, influencing the structure and properties of silica aerogels. Their ability to induce microscopic changes in the aerogel's structure may be useful to improve/control the thermal insulation performance of aerogels. The influence of different types of surfactants (anionic, cationic and non-ionic) on the microstructural arrangement and macroscopic properties of methyltrimethoxysilane (MTMS)-based aerogels was evaluated for the first time, using an experimental and computational comparative approach. Molecular dynamics simulations were performed based on two representative silica molecular structures derived from MTMS, while the experimentally-obtained silica aerogels were characterized in terms of chemical/structural/mechanical/thermal insulation properties. The use of both hexadecyltrimethylammonium bromide (CTAB) and sodium dodecylsulfate (SDS) led to a decrease in bulk density, thermal conductivity and average pore size of the aerogels, with notorious increase of their flexibility. The observed changes were due to microstructural arrangements, as evidenced by scanning electron microscopy (SEM). However, the non-ionic surfactant, Pluronic F-127, did not have a positive impact on the desired properties. Globally, the simulation results support the experimental findings, suggesting differentiated microstructural changes induced by the use of cationic or anionic surfactants. The addition of CTAB and SDS generally resulted in smaller or larger silica aggregates, respectively. Copyright © 2017 Elsevier Inc. All rights reserved.

A simulation model for wind energy storage systems. Volume 1: Technical report

NASA Technical Reports Server (NTRS)

Warren, A. W.; Edsinger, R. W.; Chan, Y. K.

1977-01-01

A comprehensive computer program for the modeling of wind energy and storage systems utilizing any combination of five types of storage (pumped hydro, battery, thermal, flywheel and pneumatic) was developed. The level of detail of Simulation Model for Wind Energy Storage (SIMWEST) is consistent with a role of evaluating the economic feasibility as well as the general performance of wind energy systems. The software package consists of two basic programs and a library of system, environmental, and load components. The first program is a precompiler which generates computer models (in FORTRAN) of complex wind source storage application systems, from user specifications using the respective library components. The second program provides the techno-economic system analysis with the respective I/O, the integration of systems dynamics, and the iteration for conveyance of variables. SIMWEST program, as described, runs on the UNIVAC 1100 series computers.

Computational strategies in the dynamic simulation of constrained flexible MBS

NASA Technical Reports Server (NTRS)

Amirouche, F. M. L.; Xie, M.

1993-01-01

This research focuses on the computational dynamics of flexible constrained multibody systems. At first a recursive mapping formulation of the kinematical expressions in a minimum dimension as well as the matrix representation of the equations of motion are presented. The method employs Kane's equation, FEM, and concepts of continuum mechanics. The generalized active forces are extended to include the effects of high temperature conditions, such as creep, thermal stress, and elastic-plastic deformation. The time variant constraint relations for rolling/contact conditions between two flexible bodies are also studied. The constraints for validation of MBS simulation of gear meshing contact using a modified Timoshenko beam theory are also presented. The last part deals with minimization of vibration/deformation of the elastic beam in multibody systems making use of time variant boundary conditions. The above methodologies and computational procedures developed are being implemented in a program called DYAMUS.

Computational approach for designing thermostable Candida antarctica lipase B by molecular dynamics simulation.

PubMed

Park, Hyun June; Park, Kyungmoon; Kim, Yong Hwan; Yoo, Young Je

2014-12-20

Candida antarctica lipase B (CalB) is one of the most useful enzyme for various reactions and bioconversions. Enhancing thermostability of CalB is required for industrial applications. In this study, we propose a computational design strategy to improve the thermostability of CalB. Molecular dynamics simulations at various temperatures were used to investigate the common fluctuation sites in CalB, which are considered to be thermally weak points. The RosettaDesign algorithm was used to design the selected residues. The redesigned CalB was simulated to verify both the enhancement of intramolecular interactions and the lowering of the overall root-mean-square deviation (RMSD) values. The A251E mutant designed using this strategy showed a 2.5-fold higher thermostability than the wild-type CalB. This strategy could apply to other industry applicable enzymes. Copyright © 2014 Elsevier B.V. All rights reserved.

Numerical simulation of transient temperature profiles for canned apple puree in semi-rigid aluminum based packaging during pasteurization.

PubMed

Shafiekhani, Soraya; Zamindar, Nafiseh; Hojatoleslami, Mohammad; Toghraie, Davood

2016-06-01

Pasteurization of canned apple puree was simulated for a 3-D geometry in a semi-rigid aluminum based container which was heated from all sides at 378 K. The computational fluid dynamics code Ansys Fluent 14.0 was used and the governing equations for energy, momentum, and continuity were computed using a finite volume method. The food model was assumed to have temperature-dependent properties. To validate the simulation, the apple puree was pasteurized in a water cascading retort. The effect of the mesh structures was studied for the temperature profiles during thermal processing. The experimental temperature in the slowest heating zone in the container was compared with the temperature predicted by the model and the difference was not significant. The study also investigated the impact of head space (water-vapor) on heat transfer.

Project summaries

NASA Technical Reports Server (NTRS)

1990-01-01

Lunar base projects, including a reconfigurable lunar cargo launcher, a thermal and micrometeorite protection system, a versatile lifting machine with robotic capabilities, a cargo transport system, the design of a road construction system for a lunar base, and the design of a device for removing lunar dust from material surfaces, are discussed. The emphasis on the Gulf of Mexico project was on the development of a computer simulation model for predicting vessel station keeping requirements. An existing code, used in predicting station keeping requirements for oil drilling platforms operating in North Shore (Alaska) waters was used as a basis for the computer simulation. Modifications were made to the existing code. The input into the model consists of satellite altimeter readings and water velocity readings from buoys stationed in the Gulf of Mexico. The satellite data consists of altimeter readings (wave height) taken during the spring of 1989. The simulation model predicts water velocity and direction, and wind velocity.

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.

Computing Radiative Transfer in a 3D Medium

NASA Technical Reports Server (NTRS)

Von Allmen, Paul; Lee, Seungwon

2012-01-01

A package of software computes the time-dependent propagation of a narrow laser beam in an arbitrary three- dimensional (3D) medium with absorption and scattering, using the transient-discrete-ordinates method and a direct integration method. Unlike prior software that utilizes a Monte Carlo method, this software enables simulation at very small signal-to-noise ratios. The ability to simulate propagation of a narrow laser beam in a 3D medium is an improvement over other discrete-ordinate software. Unlike other direct-integration software, this software is not limited to simulation of propagation of thermal radiation with broad angular spread in three dimensions or of a laser pulse with narrow angular spread in two dimensions. Uses for this software include (1) computing scattering of a pulsed laser beam on a material having given elastic scattering and absorption profiles, and (2) evaluating concepts for laser-based instruments for sensing oceanic turbulence and related measurements of oceanic mixed-layer depths. With suitable augmentation, this software could be used to compute radiative transfer in ultrasound imaging in biological tissues, radiative transfer in the upper Earth crust for oil exploration, and propagation of laser pulses in telecommunication applications.

An Integrated Crustal Dynamics Simulator

NASA Astrophysics Data System (ADS)

Xing, H. L.; Mora, P.

2007-12-01

Numerical modelling offers an outstanding opportunity to gain an understanding of the crustal dynamics and complex crustal system behaviour. This presentation provides our long-term and ongoing effort on finite element based computational model and software development to simulate the interacting fault system for earthquake forecasting. A R-minimum strategy based finite-element computational model and software tool, PANDAS, for modelling 3-dimensional nonlinear frictional contact behaviour between multiple deformable bodies with the arbitrarily-shaped contact element strategy has been developed by the authors, which builds up a virtual laboratory to simulate interacting fault systems including crustal boundary conditions and various nonlinearities (e.g. from frictional contact, materials, geometry and thermal coupling). It has been successfully applied to large scale computing of the complex nonlinear phenomena in the non-continuum media involving the nonlinear frictional instability, multiple material properties and complex geometries on supercomputers, such as the South Australia (SA) interacting fault system, South California fault model and Sumatra subduction model. It has been also extended and to simulate the hot fractured rock (HFR) geothermal reservoir system in collaboration of Geodynamics Ltd which is constructing the first geothermal reservoir system in Australia and to model the tsunami generation induced by earthquakes. Both are supported by Australian Research Council.

Extreme Physics

NASA Astrophysics Data System (ADS)

Colvin, Jeff; Larsen, Jon

2013-11-01

Acknowledgements; 1. Extreme environments: what, where, how; 2. Properties of dense and classical plasmas; 3. Laser energy absorption in matter; 4. Hydrodynamic motion; 5. Shocks; 6. Equation of state; 7. Ionization; 8. Thermal energy transport; 9. Radiation energy transport; 10. Magnetohydrodynamics; 11. Considerations for constructing radiation-hydrodynamics computer codes; 12. Numerical simulations; Appendix: units and constants, glossary of symbols; References; Bibliography; Index.

Skylab program CSM verification analysis report

NASA Technical Reports Server (NTRS)

Schaefer, J. L.; Vanderpol, G. A.

1970-01-01

The application of the SINDA computer program for the transient thermodynamic simulation of the Apollo fuel cell/radiator system for the limit condition of the proposed Skylab mission is described. Results are included for the thermal constraints imposed upon the Pratt and Whitney fuel cell power capability by the Block 2 EPS radiator system operating under the Skylab fixed attitude orbits.

Orbiter/payload contamination control assessment support

NASA Technical Reports Server (NTRS)

Rantanen, R. O.; Strange, D. A.; Hetrick, M. A.

1978-01-01

The development and integration of 16 payload bay liner filters into the existing shuttle/payload contamination evaluation (SPACE) computer program is discussed as well as an initial mission profile model. As part of the mission profile model, a thermal conversion program, a temperature cycling routine, a flexible plot routine and a mission simulation of orbital flight test 3 are presented.

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.

Comfort air temperature influence on heating and cooling loads of a residential building

NASA Astrophysics Data System (ADS)

Stanciu, C.; Șoriga, I.; Gheorghian, A. T.; Stanciu, D.

2016-08-01

The paper presents the thermal behavior and energy loads of a two-level residential building designed for a family of four, two adults and two students, for different inside comfort levels reflected by the interior air temperature. Results are intended to emphasize the different thermal behavior of building elements and their contribution to the building's external load. The most important contributors to the building thermal loss are determined. Daily heating and cooling loads are computed for 12 months simulation in Bucharest (44.25°N latitude) in clear sky conditions. The most important aspects regarding sizing of thermal energy systems are emphasized, such as the reference months for maximum cooling and heating loads and these loads’ values. Annual maximum loads are encountered in February and August, respectively, so these months should be taken as reference for sizing thermal building systems, in Bucharest, under clear sky conditions.

Formation of a knudsen layer in electronically induced desorption

NASA Astrophysics Data System (ADS)

Sibold, D.; Urbassek, H. M.

1992-10-01

For intense desorption fluxes, particles desorbed by electronic transitions (DIET) from a surface into a vacuum may thermalize in the gas cloud forming above the surface. In immediate vicinity to the surface, however, a non-equilibrium layer (the Knudsen layer) exists which separates the recently desorbed, non-thermal particles from the thermalized gas cloud. We investigate by Monte Carlo computer simulation the time it takes to form a Knudsen layer, and its properties. It is found that a Knudsen layer, and thus also a thermalized gas cloud, is formed after around 200 mean free flight times of the desorbing particles, corresponding to a desorption of 20 monolayers. At the end of the Knudsen layer, the gas density will be higher, and the flow velocity and temperature smaller, than literature values indicate for thermal desorption. These data are of fundamental interest for the modeling of gas-kinetic and gas-dynamic effects in DIET.

Car and Parrinello meet Green and Kubo: simulating atomic heat transport from equilibrium ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Baroni, Stefano

Modern simulation methods based on electronic-structure theory have long been deemed unfit to compute heat transport coefficients within the Green-Kubo formalism. This is so because the quantum-mechanical energy density from which the heat flux is derived is inherently ill defined, thus allegedly hampering the use of the Green-Kubo formula. While this objection would actually apply to classical systems as well, I will demonstrate that the thermal conductivity is indeed independent of the specific microscopic expression for the energy density and current from which it is derived. This fact results from a kind of gauge invariance stemming from energy conservation and extensivity, which I will illustrate numerically for a classical Lennard-Jones fluid. I will then introduce an expression for the adiabatic energy flux, derived within density-functional theory, that allows simulating atomic heat transport using equilibrium ab initio molecular dynamics. The resulting methodology is demonstrated by comparing results from ab-initio and classical molecular-dynamics simulations of a model liquid-Argon system, for which accurate inter-atomic potentials are derived by the force-matching method, and applied to compute the thermal conductivity of heavy water at ambient conditions. The problem of evaluating transport coefficients along with their accuracy from relatively short trajectories is finally addressed and discussed with a few representative examples. Partially funded by the European Union through the MaX Centre of Excellence (Grant No. 676598).

Multiphysics Code Demonstrated for Propulsion Applications

NASA Technical Reports Server (NTRS)

Lawrence, Charles; Melis, Matthew E.

1998-01-01

The utility of multidisciplinary analysis tools for aeropropulsion applications is being investigated at the NASA Lewis Research Center. The goal of this project is to apply Spectrum, a multiphysics code developed by Centric Engineering Systems, Inc., to simulate multidisciplinary effects in turbomachinery components. Many engineering problems today involve detailed computer analyses to predict the thermal, aerodynamic, and structural response of a mechanical system as it undergoes service loading. Analysis of aerospace structures generally requires attention in all three disciplinary areas to adequately predict component service behavior, and in many cases, the results from one discipline substantially affect the outcome of the other two. There are numerous computer codes currently available in the engineering community to perform such analyses in each of these disciplines. Many of these codes are developed and used in-house by a given organization, and many are commercially available. However, few, if any, of these codes are designed specifically for multidisciplinary analyses. The Spectrum code has been developed for performing fully coupled fluid, thermal, and structural analyses on a mechanical system with a single simulation that accounts for all simultaneous interactions, thus eliminating the requirement for running a large number of sequential, separate, disciplinary analyses. The Spectrum code has a true multiphysics analysis capability, which improves analysis efficiency as well as accuracy. Centric Engineering, Inc., working with a team of Lewis and AlliedSignal Engines engineers, has been evaluating Spectrum for a variety of propulsion applications including disk quenching, drum cavity flow, aeromechanical simulations, and a centrifugal compressor flow simulation.

Thermal Analysis of Magnetically-Coupled Pump for Cryogenic Applications

NASA Technical Reports Server (NTRS)

Senocak, Inanc; Udaykumar, H. S.; Ndri, Narcisse; Francois, Marianne; Shyy, Wei

1999-01-01

Magnetically-coupled pump is under evaluation at Kennedy Space Center for possible cryogenic applications. A major concern is the impact of low temperature fluid flows on the pump performance. As a first step toward addressing this and related issues, a computational fluid dynamics and heat transfer tool has been adopted in a pump geometry. The computational tool includes (i) a commercial grid generator to handle multiple grid blocks and complicated geometric definitions, and (ii) an in-house computational fluid dynamics and heat transfer software developed in the Principal Investigator's group at the University of Florida. Both pure-conduction and combined convection-conduction computations have been conducted. A pure-conduction analysis gives insufficient information about the overall thermal distribution. Combined convection-conduction analysis indicates the significant influence of the coolant over the entire flow path. Since 2-D simulation is of limited help, future work on full 3-D modeling of the pump using multi-materials is needed. A comprehensive and accurate model can be developed to take into account the effect of multi-phase flow in the cooling flow loop, and the magnetic interactions.

A Computational Methodology for Simulating Thermal Loss Testing of the Advanced Stirling Convertor

NASA Technical Reports Server (NTRS)

Reid, Terry V.; Wilson, Scott D.; Schifer, Nicholas A.; Briggs, Maxwell H.

2012-01-01

The U.S. Department of Energy (DOE) and Lockheed Martin Space Systems Company (LMSSC) have been developing the Advanced Stirling Radioisotope Generator (ASRG) for use as a power system for space science missions. This generator would use two highefficiency Advanced Stirling Convertors (ASCs), developed by Sunpower Inc. and NASA Glenn Research Center (GRC). The ASCs convert thermal energy from a radioisotope heat source into electricity. As part of ground testing of these ASCs, different operating conditions are used to simulate expected mission conditions. These conditions require achieving a particular operating frequency, hot end and cold end temperatures, and specified electrical power output for a given net heat input. In an effort to improve net heat input predictions, numerous tasks have been performed which provided a more accurate value for net heat input into the ASCs, including the use of multidimensional numerical models. Validation test hardware has also been used to provide a direct comparison of numerical results and validate the multi-dimensional numerical models used to predict convertor net heat input and efficiency. These validation tests were designed to simulate the temperature profile of an operating Stirling convertor and resulted in a measured net heat input of 244.4 W. The methodology was applied to the multi-dimensional numerical model which resulted in a net heat input of 240.3 W. The computational methodology resulted in a value of net heat input that was 1.7 percent less than that measured during laboratory testing. The resulting computational methodology and results are discussed.

Parameters on reconstructions of geohistory, thermal history, and hydrocarbon generation history in a sedimentary basin

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

Cao, S.; Lerche, I.

1988-01-01

Geological processes related to petroleum generation, migration, and accumulation are very complicated in terms of time and variables involved, and are very difficult to simulate by laboratory experiments. For this reason, many mathematic/computer models have been developed to simulate these geological processes based on geological, geophysical, and geochemical principles. Unfortunately, none of these models can exactly simulate these processes because of the assumptions and simplifications made in these models and the errors in the input for the models. The sensitivity analysis is a comprehensive examination on how geological, geophysical, and geochemical parameters affect the reconstructions of geohistory, thermal history, andmore » hydrocarbon generation history. In this study, a one-dimensional fluid flow/compaction model has been used to run the sensitivity analysis. The authors will show the effects of some commonly used parameters such as depth, age, lithology, porosity, permeability, unconformity (time and eroded thickness), temperature at sediment surface, bottom hole temperature, present day heat flow, thermal gradient, thermal conductivity and kerogen type, and content on the evolutions of formation thickness, porosity, permeability, pressure with time and depth, heat flow with time, temperature with time and depth, vitrinite reflectance (R/sub 0/) and TTI with time and depth, oil window in terms of time and depth, and amount of hydrocarbon generated with time and depth.« less

The Role of Free-Stream Turbulence on High Pressure Turbine Aero-Thermal Stage Interaction

NASA Astrophysics Data System (ADS)

Kopriva, James Earl

Turbulence plays an important role on the aero-thermal performance of modern aircraft engine High Pressure Turbines (HPT). The role of the vane wake and passage turbulence on the downstream blade flow field is an important consideration for both performance and durability. Obtaining measurements to fully characterize the flow field can be challenging and costly in an experimental facility. Advances in computational Fluid Dynamic (CFD) modeling and High Performance Computing (HPC) are providing opportunity to close these measurement gaps. In order for CFD to be adopted, methods need to be both accurate and efficient. Meshing approaches must also be able to resolve complex HPT geometry while maintaining quality adequate for scale-resolved simulations. Therefore, the accuracy of executing scale-resolved simulations with a second-order code on a mesh of prisms and tetrahedrals in Fluent is considered. Before execution of the HPT computational study, a building block approach is taken to gain quantified predictive performance in the modeling approach as well as understanding limitations in lower computational cost modeling approaches. The predictive capability for Reynolds Averaged Navier Stokes (RANS), Hybrid Large Eddy Simulation (LES), and wall-resolved LES turbulence modeling approaches are first assessed for a cylinder in cross-flow at a Reynolds number of 2580. The flow condition and simple geometry facilitate a quick turn-around for modeling assessment before moving the HPT vane study at high Reynolds and Mach number conditions. Modeling approaches are then assessed relative to the experimental measurements of Arts and Rouvroit (1992) on a pitch-line HPT uncooled vane at high Mach and Reynolds numbers conditions with low (0-6%) free-stream turbulence. The current unstructured second-order LES approach agrees with experimental data and is found to be within the equivalent experimental uncertainty when compared to the structured high-ordered solver FDL3DI. The unstructured Hybrid LES aero-thermal predictions are found to be in close agreement with LES predictions and 4 times more computationally efficient. A sliding mesh approach is then used to understand the complex HPT vane and blade stage aero-thermal interaction at 0 and 20% inlet turbulence. A HPT blade has been designed to pair with the uncooled vane of Arts and Rouvroit (1992) to evaluate the impact of passage turbulence and vane wake on the downstream blade boundary layer as well as wake formation and evolution. The learnings from the statistical 2D pitch-line stage simulations are applied to a 3D annular representation of the geometry including endwalls and blade tip clearance to demonstrate the impact of secondary flows on the overall aero-thermal performance. Compared to the 2D pitchline predictions, the vane and blade overall mass average relative total pressure loss for the 3D geometry increases by 73 and 107%, respectively. The blade loss is shown to be largely driven by the formation of the tip vortex. Hybrid LES predictions show that by increasing stage inlet turbulence by 20% results in up to a 40% increase for the surface heat flux on the vane. However, the impact of stage inlet turbulence is found to be secondary compared to the periodic unsteadiness generated by the vane wake on the downstream blade surface heat transfer and mixing.

Multiscale Pressure-Balanced Structures in Three-dimensional Magnetohydrodynamic Turbulence

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

Yang, Liping; Zhang, Lei; Feng, Xueshang

2017-02-10

Observations of solar wind turbulence indicate the existence of multiscale pressure-balanced structures (PBSs) in the solar wind. In this work, we conduct a numerical simulation to investigate multiscale PBSs and in particular their formation in compressive magnetohydrodynamic turbulence. By the use of the higher-order Godunov code Athena, a driven compressible turbulence with an imposed uniform guide field is simulated. The simulation results show that both the magnetic pressure and the thermal pressure exhibit a turbulent spectrum with a Kolmogorov-like power law, and that in many regions of the simulation domain they are anticorrelated. The computed wavelet cross-coherence spectra of themore » magnetic pressure and the thermal pressure, as well as their space series, indicate the existence of multiscale PBSs, with the small PBSs being embedded in the large ones. These multiscale PBSs are likely to be related to the highly oblique-propagating slow-mode waves, as the traced multiscale PBS is found to be traveling in a certain direction at a speed consistent with that predicted theoretically for a slow-mode wave propagating in the same direction.« less

Computational Modeling of Low-Density Ultracold Plasmas

NASA Astrophysics Data System (ADS)

Witte, Craig

In this dissertation I describe a number of different computational investigations which I have undertaken during my time at Colorado State University. Perhaps the most significant of my accomplishments was the development of a general molecular dynamic model that simulates a wide variety of physical phenomena in ultracold plasmas (UCPs). This model formed the basis of most of the numerical investigations discussed in this thesis. The model utilized the massively parallel architecture of GPUs to achieve significant computing speed increases (up to 2 orders of magnitude) above traditional single core computing. This increased computing power allowed for each particle in an actual UCP experimental system to be explicitly modeled in simulations. By using this model, I was able to undertake a number of theoretical investigations into ultracold plasma systems. Chief among these was our lab's investigation of electron center-of-mass damping, in which the molecular dynamics model was an essential tool in interpreting the results of the experiment. Originally, it was assumed that this damping would solely be a function of electron-ion collisions. However, the model was able to identify an additional collisionless damping mechanism that was determined to be significant in the first iteration of our experiment. To mitigate this collisionless damping, the model was used to find a new parameter range where this mechanism was negligible. In this new parameter range, the model was an integral part in verifying the achievement of a record low measured UCP electron temperature of 1.57 +/- 0.28K and a record high electron strong coupling parameter, Gamma, of 0.35 +/-0.08$. Additionally, the model, along with experimental measurements, was used to verify the breakdown of the standard weak coupling approximation for Coulomb collisions. The general molecular dynamics model was also used in other contexts. These included the modeling of both the formation process of ultracold plasmas and the thermalization of the electron component of an ultracold plasma. Our modeling of UCP formation is still in its infancy, and there is still much outstanding work. However, we have already discovered a previously unreported electron heating mechanism that arises from an external electric field being applied during UCP formation. Thermalization modeling showed that the ion density distribution plays a role in the thermalization of electrons in ultracold plasma, a consideration not typically included in plasma modeling. A Gaussian ion density distribution was shown to lead to a slightly faster electron thermalization rate than an equivalent uniform ion density distribution as a result of collisionless effects. Three distinct phases of UCP electron thermalization during formation were identified. Finally, the dissertation will describe additional computational investigations that preceded the general molecular dynamics model. These include simulations of ultracold plasma ion expansion driven by non-neutrality, as well as an investigation into electron evaporation. To test the effects of non-neutrality on ion expansion, a numerical model was developed that used the King model of the electron to describe the electron distribution for an arbitrary charge imbalance. The model found that increased non-neutrality of the plasma led to the rapid expansion of ions on the plasma exterior, which in turn led to a sharp ion cliff-like spatial structure. Additionally, this rapid expansion led to additional cooling of the electron component of the plasma. The evaporation modeling was used to test the underlying assumptions of previously developed analytical expression for charged particle evaporation. The model used Monte Carlo techniques to simulate the collisions and the evaporation process. The model found that neither of the underlying assumption of the charged particle evaporation expressions held true for typical ultracold plasma parameters and provides a route for computations in spite of the breakdown of these two typical assumptions.

Thermal Dispersion Within a Porous Medium Near a Solid Wall

NASA Technical Reports Server (NTRS)

Simon, T.; McFadden, G.; Ibrahim, M.

2006-01-01

The regenerator is a key component to Stirling cycle machine efficiency. Typical regenerators are of sintered fine wires or layers of fine-wire screens. Such porous materials are contained within solid-waH casings. Thermal energy exchange between the regenerator and the casing is important to cycle performance for the matrix and casing would not have the same axial temperature profile in an actual machine. Exchange from one to the other may allow shunting of thermal energy, reducing cycle efficiency. In this paper, temperature profiles within the near-wall region of the matrix are measured and thermal energy transport, termed thermal dispersion, is inferred. The data show how the wall affects thermal transport. Transport normal to the mean flow direction is by conduction within the solid and fluid and by advective transport within the matrix. In the near-wall region, both may be interrupted from their normal in-core pattern. Solid conduction paths are broken and scales of advective transport are damped. An equation is presented which describes this change for a wire screen mesh. The near-wall layer typically acts as an insulating layer. This should be considered in design or analysis. Effective thermal conductivity within the core is uniform. In-core transverse thermal effective conductivity values are compared to direct and indirect measurements reported elsewhere and to 3D numerical simulation results, computed previously and reported elsewhere. The 3-D CFD model is composed of six cylinders in cross flow, staggered in arrangement to match the dimensions and porosity of the matrix used in the experiments. The commercial code FLUENT is used to obtain the flow and thermal fields. The thermal dispersion and effective thermal conductivities for the matrix are computed from the results.

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.

Heating of large format filters in sub-mm and fir space optics

NASA Astrophysics Data System (ADS)

Baccichet, N.; Savini, G.

2017-11-01

Most FIR and sub-mm space borne observatories use polymer-based quasi-optical elements like filters and lenses, due to their high transparency and low absorption in such wavelength ranges. Nevertheless, data from those missions have proven that thermal imbalances in the instrument (not caused by filters) can complicate the data analysis. Consequently, for future, higher precision instrumentation, further investigation is required on any thermal imbalances embedded in such polymer-based filters. Particularly, in this paper the heating of polymers when operating at cryogenic temperature in space will be studied. Such phenomenon is an important aspect of their functioning since the transient emission of unwanted thermal radiation may affect the scientific measurements. To assess this effect, a computer model was developed for polypropylene based filters and PTFE-based coatings. Specifically, a theoretical model of their thermal properties was created and used into a multi-physics simulation that accounts for conductive and radiative heating effects of large optical elements, the geometry of which was suggested by the large format array instruments designed for future space missions. It was found that in the simulated conditions, the filters temperature was characterized by a time-dependent behaviour, modulated by a small scale fluctuation. Moreover, it was noticed that thermalization was reached only when a low power input was present.

X-ray Crystallographic Structure of Thermophilic Rhodopsin

PubMed Central

Tsukamoto, Takashi; Mizutani, Kenji; Hasegawa, Taisuke; Takahashi, Megumi; Honda, Naoya; Hashimoto, Naoki; Shimono, Kazumi; Yamashita, Keitaro; Yamamoto, Masaki; Miyauchi, Seiji; Takagi, Shin; Hayashi, Shigehiko; Murata, Takeshi; Sudo, Yuki

2016-01-01

Thermophilic rhodopsin (TR) is a photoreceptor protein with an extremely high thermal stability and the first characterized light-driven electrogenic proton pump derived from the extreme thermophile Thermus thermophilus JL-18. In this study, we confirmed its high thermal stability compared with other microbial rhodopsins and also report the potential availability of TR for optogenetics as a light-induced neural silencer. The x-ray crystal structure of TR revealed that its overall structure is quite similar to that of xanthorhodopsin, including the presence of a putative binding site for a carotenoid antenna; but several distinct structural characteristics of TR, including a decreased surface charge and a larger number of hydrophobic residues and aromatic-aromatic interactions, were also clarified. Based on the crystal structure, the structural changes of TR upon thermal stimulation were investigated by molecular dynamics simulations. The simulations revealed the presence of a thermally induced structural substate in which an increase of hydrophobic interactions in the extracellular domain, the movement of extracellular domains, the formation of a hydrogen bond, and the tilting of transmembrane helices were observed. From the computational and mutational analysis, we propose that an extracellular LPGG motif between helices F and G plays an important role in the thermal stability, acting as a “thermal sensor.” These findings will be valuable for understanding retinal proteins with regard to high protein stability and high optogenetic performance. PMID:27129243

Hierarchical nonlinear behavior of hot composite structures

NASA Technical Reports Server (NTRS)

Murthy, P. L. N.; Chamis, C. C.; Singhal, S. N.

1993-01-01

Hierarchical computational procedures are described to simulate the multiple scale thermal/mechanical behavior of high temperature metal matrix composites (HT-MMC) in the following three broad areas: (1) behavior of HT-MMC's from micromechanics to laminate via METCAN (Metal Matrix Composite Analyzer), (2) tailoring of HT-MMC behavior for optimum specific performance via MMLT (Metal Matrix Laminate Tailoring), and (3) HT-MMC structural response for hot structural components via HITCAN (High Temperature Composite Analyzer). Representative results from each area are presented to illustrate the effectiveness of computational simulation procedures and accompanying computer codes. The sample case results show that METCAN can be used to simulate material behavior such as the entire creep span; MMLT can be used to concurrently tailor the fabrication process and the interphase layer for optimum performance such as minimum residual stresses; and HITCAN can be used to predict the structural behavior such as the deformed shape due to component fabrication. These codes constitute virtual portable desk-top test laboratories for characterizing HT-MMC laminates, tailoring the fabrication process, and qualifying structural components made from them.

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.

Reactive collisions for NO(2Π) + N(4S) at temperatures relevant to the hypersonic flight regime.

PubMed

Denis-Alpizar, Otoniel; Bemish, Raymond J; Meuwly, Markus

2017-01-18

The NO(X 2 Π) + N( 4 S) reaction which occurs entirely in the triplet manifold of N 2 O is investigated using quasiclassical trajectories and quantum simulations. Fully-dimensional potential energy surfaces for the 3 A' and 3 A'' states are computed at the MRCI+Q level of theory and are represented using a reproducing kernel Hilbert space. The N-exchange and N 2 -formation channels are followed by using the multi-state adiabatic reactive molecular dynamics method. Up to 5000 K these reactions occur predominantly on the N 2 O 3 A'' surface. However, for higher temperatures the contributions of the 3 A' and 3 A'' states are comparable and the final state distributions are far from thermal equilibrium. From the trajectory simulations a new set of thermal rate coefficients of up to 20 000 K is determined. Comparison of the quasiclassical trajectory and quantum simulations shows that a classical description is a good approximation as determined from the final state analysis.

Finite Element Simulation of Residual Stress Development in Thermally Sprayed Coatings

NASA Astrophysics Data System (ADS)

Elhoriny, Mohamed; Wenzelburger, Martin; Killinger, Andreas; Gadow, Rainer

2017-04-01

The coating buildup process of Al2O3/TiO2 ceramic powder deposited on stainless-steel substrate by atmospheric plasma spraying has been simulated by creating thermomechanical finite element models that utilize element death and birth techniques in ANSYS commercial software and self-developed codes. The simulation process starts with side-by-side deposition of coarse subparts of the ceramic layer until the entire coating is created. Simultaneously, the heat flow into the material, thermal deformation, and initial quenching stress are computed. The aim is to be able to predict—for the considered spray powder and substrate material—the development of residual stresses and to assess the risk of coating failure. The model allows the prediction of the heat flow, temperature profile, and residual stress development over time and position in the coating and substrate. The proposed models were successfully run and the results compared with actual residual stresses measured by the hole drilling method.

Hydrogen bonds and heat diffusion in α-helices: a computational study.

PubMed

Miño, German; Barriga, Raul; Gutierrez, Gonzalo

2014-08-28

Recent evidence has shown a correlation between the heat diffusion pathways and the known allosteric communication pathways in proteins. Allosteric communication in proteins is a central, yet unsolved, problem in biochemistry, and the study and characterization of the structural determinants that mediate energy transfer among different parts of proteins is of major importance. In this work, we characterized the role of hydrogen bonds in diffusivity of thermal energy for two sets of α-helices with different abilities to form hydrogen bonds. These hydrogen bonds can be a constitutive part of the α-helices or can arise from the lateral chains. In our in vacuo simulations, it was observed that α-helices with a higher possibility of forming hydrogen bonds also had higher rates of thermalization. Our simulations also revealed that heat readily flowed through atoms involved in hydrogen bonds. As a general conclusion, according to our simulations, hydrogen bonds fulfilled an important role in heat diffusion in structural patters of proteins.

Computer program for analysis of split-Stirling-cycle cryogenic coolers

NASA Technical Reports Server (NTRS)

Brown, M. T.; Russo, S. C.

1983-01-01

A computer program for predicting the detailed thermodynamic performance of split-Stirling-cycle refrigerators has been developed. The mathematical model includes the refrigerator cold head, free-displacer/regenerator, gas transfer line, and provision for modeling a mechanical or thermal compressor. To allow for dynamic processes (such as aerodynamic friction and heat transfer) temperature, pressure, and mass flow rate are varied by sub-dividing the refrigerator into an appropriate number of fluid and structural control volumes. Of special importance to modeling of cryogenic coolers is the inclusion of real gas properties, and allowance for variation of thermo-physical properties such as thermal conductivities, specific heats and viscosities, with temperature and/or pressure. The resulting model, therefore, comprehensively simulates the split-cycle cooler both spatially and temporally by reflecting the effects of dynamic processes and real material properties.

Computations of Drop Collision and Coalescence

NASA Technical Reports Server (NTRS)

Tryggvason, Gretar; Juric, Damir; Nas, Selman; Mortazavi, Saeed

1996-01-01

Computations of drops collisions, coalescence, and other problems involving drops are presented. The computations are made possible by a finite difference/front tracking technique that allows direct solutions of the Navier-Stokes equations for a multi-fluid system with complex, unsteady internal boundaries. This method has been used to examine the various collision modes for binary collisions of drops of equal size, mixing of two drops of unequal size, behavior of a suspension of drops in linear and parabolic shear flows, and the thermal migration of several drops. The key results from these simulations are reviewed. Extensions of the method to phase change problems and preliminary results for boiling are also shown.

Experimental and CFD evidence of multiple solutions in a naturally ventilated building.

PubMed

Heiselberg, P; Li, Y; Andersen, A; Bjerre, M; Chen, Z

2004-02-01

This paper considers the existence of multiple solutions to natural ventilation of a simple one-zone building, driven by combined thermal and opposing wind forces. The present analysis is an extension of an earlier analytical study of natural ventilation in a fully mixed building, and includes the effect of thermal stratification. Both computational and experimental investigations were carried out in parallel with an analytical investigation. When flow is dominated by thermal buoyancy, it was found experimentally that there is thermal stratification. When the flow is wind-dominated, the room is fully mixed. Results from all three methods have shown that the hysteresis phenomena exist. Under certain conditions, two different stable steady-state solutions are found to exist by all three methods for the same set of parameters. As shown by both the computational fluid dynamics (CFD) and experimental results, one of the solutions can shift to another when there is a sufficient perturbation. These results have probably provided the strongest evidence so far for the conclusion that multiple states exist in natural ventilation of simple buildings. Different initial conditions in the CFD simulations led to different solutions, suggesting that caution must be taken when adopting the commonly used 'zero initialization'.

Mask CD relationship to temperature at the time backscatter is received

NASA Astrophysics Data System (ADS)

Zable, Harold; Kronmiller, Tom; Pearman, Ryan; Guthrie, Bill; Shirali, Nagesh; Masuda, Yukihiro; Kamikubo, Takashi; Nakayamada, Noriaki; Fujimura, Aki

2017-07-01

Mask writers need to be able to write sub-50nm features accurately. Nano-imprint lithography (NIL) masters need to create sub-20nm line and space (L:S) patterns reliably. Increasingly slower resists are deployed, but mask write times need to remain reasonable. The leading edge EBM-9500 offers 1200A/cm2 current density to shoot variable shaped beam (VSB) to write the masks. Last year, thermal effect correction (TEC) was introduced by NuFlare in the EBM-95001. It is a GPU-accelerated inline correction for the effect that the temperature of the resist has on CD. For example, a 100nm CD may print at 102nm where that area was at a comparably high temperature at the time of the shot. Since thermal effect is a temporal effect, the simulated temperature of the surface of the mask is dynamically updated for the effect of each shot in order to accurately predict the cumulative effect that is the temperature at the location of the shot at the time of the shot and therefore its impact on CD. The shot dose is changed to reverse the effects of the temperature change. This paper for the first time reveals an enhancement to this thermal model and a simulator for it. It turns out that the temperature at the time each location receives backscatter from other shots also make a difference to the CD. The effect is secondary, but still measurable for some resists and substrates. Results of a test-chip study will be presented. The computation required for the backscatter effect is substantial. It has been demonstrated that this calculation can be performed fast enough to be inline with the EBM-9500 with a reasonable-sized computing platform. Run-time results and the computing architecture will be presented.

Thermal transport in nanocrystalline Si and SiGe by ab initio based Monte Carlo simulation.

PubMed

Yang, Lina; Minnich, Austin J

2017-03-14

Nanocrystalline thermoelectric materials based on Si have long been of interest because Si is earth-abundant, inexpensive, and non-toxic. However, a poor understanding of phonon grain boundary scattering and its effect on thermal conductivity has impeded efforts to improve the thermoelectric figure of merit. Here, we report an ab-initio based computational study of thermal transport in nanocrystalline Si-based materials using a variance-reduced Monte Carlo method with the full phonon dispersion and intrinsic lifetimes from first-principles as input. By fitting the transmission profile of grain boundaries, we obtain excellent agreement with experimental thermal conductivity of nanocrystalline Si [Wang et al. Nano Letters 11, 2206 (2011)]. Based on these calculations, we examine phonon transport in nanocrystalline SiGe alloys with ab-initio electron-phonon scattering rates. Our calculations show that low energy phonons still transport substantial amounts of heat in these materials, despite scattering by electron-phonon interactions, due to the high transmission of phonons at grain boundaries, and thus improvements in ZT are still possible by disrupting these modes. This work demonstrates the important insights into phonon transport that can be obtained using ab-initio based Monte Carlo simulations in complex nanostructured materials.

Thermal transport in nanocrystalline Si and SiGe by ab initio based Monte Carlo simulation

PubMed Central

Yang, Lina; Minnich, Austin J.

2017-01-01

Nanocrystalline thermoelectric materials based on Si have long been of interest because Si is earth-abundant, inexpensive, and non-toxic. However, a poor understanding of phonon grain boundary scattering and its effect on thermal conductivity has impeded efforts to improve the thermoelectric figure of merit. Here, we report an ab-initio based computational study of thermal transport in nanocrystalline Si-based materials using a variance-reduced Monte Carlo method with the full phonon dispersion and intrinsic lifetimes from first-principles as input. By fitting the transmission profile of grain boundaries, we obtain excellent agreement with experimental thermal conductivity of nanocrystalline Si [Wang et al. Nano Letters 11, 2206 (2011)]. Based on these calculations, we examine phonon transport in nanocrystalline SiGe alloys with ab-initio electron-phonon scattering rates. Our calculations show that low energy phonons still transport substantial amounts of heat in these materials, despite scattering by electron-phonon interactions, due to the high transmission of phonons at grain boundaries, and thus improvements in ZT are still possible by disrupting these modes. This work demonstrates the important insights into phonon transport that can be obtained using ab-initio based Monte Carlo simulations in complex nanostructured materials. PMID:28290484

Thermodynamic analysis of fuels in gas phase: ethanol, gasoline and ethanol - gasoline predicted by DFT method.

PubMed

Neto, A F G; Lopes, F S; Carvalho, E V; Huda, M N; Neto, A M J C; Machado, N T

2015-10-01

This paper presents a theoretical study using density functional theory to calculate thermodynamics properties of major molecules compounds at gas phase of fuels like gasoline, ethanol, and gasoline-ethanol mixture in thermal equilibrium on temperature range up to 1500 K. We simulated a composition of gasoline mixture with ethanol for a thorough study of thermal energy, enthalpy, Gibbs free energy, entropy, heat capacity at constant pressure with respect to temperature in order to study the influence caused by ethanol as an additive to gasoline. We used semi-empirical computational methods as well in order to know the efficiency of other methods to simulate fuels through this methodology. In addition, the ethanol influence through the changes in percentage fractions of chemical energy released in combustion reaction and the variations on thermal properties for autoignition temperatures of fuels was analyzed. We verified how ethanol reduces the chemical energy released by gasoline combustion and how at low temperatures the gas phase fuels in thermal equilibrium have similar thermodynamic behavior. Theoretical results were compared with experimental data, when available, and showed agreement. Graphical Abstract Thermodynamic analysis of fuels in gas phase.

Real-Time Simulation of Aeroheating of the Hyper-X Airplane

NASA Technical Reports Server (NTRS)

Gong, Les

2005-01-01

A capability for real-time computational simulation of aeroheating has been developed in support of the Hyper-X program, which is directed toward demonstrating the feasibility of operating an air-breathing ramjet/scramjet engine at mach 5, mach 7, and mach 10. The simulation software will serve as a valuable design tool for initial trajectory studies in which aerodynamic heating is expected to exert a major influence in the design of the Hyper-X airplane; this tool will aid in the selection of materials, sizing of structural skin thicknesses, and selection of components of a thermal-protection system (TPS) for structures that must be insulated against aeroheating.

Thermal energy supply optimization for Edgewood Area, US Army Aberdeen Proving Ground: Energy supply alternatives. Final report

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

McCammon, T.L.; Dilks, C.L.; Savoie, M.J.

1995-09-01

Relatively poor performance at the aging central heating plants (OH Ps) and planned changes in steam demand at Aberdeen Proving Ground (APG) Edgewood Area, Aberdeen, MD warranted an investigation of alternatives for providing thermal energy to the installation. This study: (1) evaluated the condition of the APG CHPs and heat distribution system, (2) identified thermal energy supply problems and cost-effective technologies to maintain APG`s capability to produce and distribute the needed thermal energy, and (3) recommended renovation and modernization projects for the system. Heating loads were analyzed using computer simulations, and life cycle costs were developed for each alternative. Recommendedmore » alternatives included upgrading the existing system, installing new boilers, consolidating the central heating plants, and introducing the use of absorption chilling.« less

Experimental and CFD modelling for thermal comfort and CO2 concentration in office building

NASA Astrophysics Data System (ADS)

Kabrein, H.; Hariri, A.; Leman, A. M.; Yusof, M. Z. M.; Afandi, A.

2017-09-01

Computational fluid dynamic CFD was used for simulating air flow, indoor air distribution and contamination concentration. Gases pollution and thermal discomfort affected occupational health and productivity of work place. The main objectives of this study are to investigate the impact of air change rate in CO2 concentration and to estimate the profile of CO2 concentration in the offices building. The thermal comfort and gases contamination are investigated by numerical analysis CFD which was validated by experiment. Thus the air temperature, air velocity and CO2 concentration were measured at several points in the chamber with four occupants. Comparing between experimental and numerical results showed good agreement. In addition, the CO2 concentration around human recorded high, compared to the other area. Moreover, the thermal comfort in this study is within the ASHRAE standard 55-2004.

Study by molecular dynamics of the influence of temperature and pressure on the optical properties of undoped 3C-SiC structures

NASA Astrophysics Data System (ADS)

Domingues, Gilberto; Monthe, Aubin Mekeze; Guévelou, Simon; Rousseau, Benoit

2018-01-01

Silicon carbide (SiC)-based open-cell foams appear to be promising porous materials for designing high-temperature energy conversion systems such as volumetric solar receivers. In these media, heat transfers and fluid flows occur simultaneously. The numerical models developed for computing the thermal efficiencies of SiC foams must take into account the energy contribution of thermal radiation. In particular, the thermal radiative properties of these foams must be accurately known. This explains why knowledge of the pressure and temperature dependences of the optical properties of the crystalline parts, which compose the foams, is of primary concern for computing the latter properties correctly. However, the data available in the literature provide the evolution laws of the dielectric functions, needed to calculate the optical properties, as dependent on one thermodynamic parameter at a time. To deal with this issue, a study of the temperature/pressure influence on the dielectric functions of a silicon carbide structure by simulation with molecular dynamics (MD) is presented in this paper. The Vashishta interaction potential, based on the sum of two- and three-body terms, is used in this study. The simulations are carried out on undoped 3C-SiC at pressures ranging from 0.2 to 20 GPa and temperatures ranging from 300 K to 1500 K. The dielectric functions are obtained by applying the linear response theory and comparing them with values provided in the literature, using a Lorentz model. The simulated results, in good agreement with the experimental ones, make it possible to establish the evolution laws of the dielectric functions with both parameters, temperature and pressure, applicable to any field requiring the use of undoped silicon carbide.

360-degree video and X-ray modeling of the Galactic center's inner parsec

NASA Astrophysics Data System (ADS)

Russell, Christopher Michael Post; Wang, Daniel; Cuadra, Jorge

2017-08-01

360-degree videos, which render an image over all 4pi steradian, provide a unique and immersive way to visualize astrophysical simulations. Video sharing sites such as YouTube allow these videos to be shared with the masses; they can be viewed in their 360° nature on computer screens, with smartphones, or, best of all, in virtual-reality (VR) goggles. We present the first such 360° video of an astrophysical simulation: a hydrodynamics calculation of the Wolf-Rayet stars and their ejected winds in the inner parsec of the Galactic center. Viewed from the perspective of the super-massive black hole (SMBH), the most striking aspect of the video, which renders column density, is the inspiraling and stretching of clumps of WR-wind material as they makes their way towards the SMBH. We will brielfy describe how to make 360° videos and how to publish them online in their desired 360° format. Additionally we discuss computing the thermal X-ray emission from a suite of Galactic-center hydrodynamic simulations that have various SMBH feedback mechanisms, which are compared to Chandra X-ray Visionary Program observations of the region. Over a 2-5” ring centered on Sgr A*, the spectral shape is well matched, indicating that the WR winds are the dominant source of the thermal X-ray emission. Furthermore, the X-ray flux depends on the SMBH feedback due to the feedback's ability to clear out material from the central parsec. A moderate outburst is necessary to explain the current thermal X-ray flux, even though the outburst ended ˜100 yr ago.

Dynamic thermal effects of epidermal melanin and plasmonic nanoparticles during photoacoustic breast imaging

NASA Astrophysics Data System (ADS)

Ghassemi, Pejhman; Wang, Quanzeng; Pfefer, T. Joshua

2016-03-01

Photoacoustic Tomography (PAT) employs high-power near-infrared (near-IR) laser pulses to generate structural and functional information on tissue chromophores up to several centimeters below the surface. Such insights may facilitate detection of breast cancer - the most common cancer in women. PAT mammography has been the subject of extensive research, including techniques based on exogenous agents for PAT contrast enhancement and molecular specificity. However, photothermal safety risks of PAT due to strong chromophores such as epidermal melanin and plasmonic nanoparticles have not been rigorously studied. We have used computational and experimental approaches to elucidate highly dynamic optical-thermal processes during PAT. A Monte Carlo model was used to simulate light propagation at 800 and 1064 nm in a multi-layer breast tissue geometry with different epidermal pigmentation levels and a tumorsimulating inclusion incorporating nanoparticles. Energy deposition results were then used in a bioheat transfer model to simulate temperature transients. Experimental measurements involved multi-layer hydrogel phantoms with inclusions incorporating gold nanoparticles. Phantom optical properties were measured using the inverse adding-doubling technique. Thermal imaging was performed as phantoms were irradiated with 5 ns near-IR pulses. Scenarios using 10 Hz laser irradiation of breast tissue containing various nanoparticle concentrations were implemented experimentally and computationally. Laser exposure levels were based on ANSI/IEC limits. Surface temperature measurements were compared to corresponding simulation data. In general, the effect of highly pigmented skin on temperature rise was significant, whereas unexpectedly small levels of temperature rise during nanoparticle irradiation were attributed to rapid photodegradation. Results provide key initial insights into light-tissue interactions impacting the safety and effectiveness of PAT.

Coupling hydrodynamics and radiation calculations for star-jet interactions in active galactic nuclei

NASA Astrophysics Data System (ADS)

de la Cita, V. M.; Bosch-Ramon, V.; Paredes-Fortuny, X.; Khangulyan, D.; Perucho, M.

2016-06-01

Context. Stars and their winds can contribute to the non-thermal emission in extragalactic jets. Because of the complexity of jet-star interactions, the properties of the resulting emission are closely linked to those of the emitting flows. Aims: We simulate the interaction between a stellar wind and a relativistic extragalactic jet and use the hydrodynamic results to compute the non-thermal emission under different conditions. Methods: We performed relativistic axisymmetric hydrodynamical simulations of a relativistic jet interacting with a supersonic, non-relativistic stellar wind. We computed the corresponding streamlines out of the simulation results and calculated the injection, evolution, and emission of non-thermal particles accelerated in the jet shock, focusing on electrons or e±-pairs. Several cases were explored, considering different jet-star interaction locations, magnetic fields, and observer lines of sight. The jet luminosity and star properties were fixed, but the results are easily scalable when these parameters are changed. Results: Individual jet-star interactions produce synchrotron and inverse Compton emission that peaks from X-rays to MeV energies (depending on the magnetic field), and at ~100-1000 GeV (depending on the stellar type), respectively. The radiation spectrum is hard in the scenarios explored here as a result of non-radiative cooling dominance, as low-energy electrons are efficiently advected even under relatively high magnetic fields. Interactions of jets with cold stars lead to an even harder inverse Compton spectrum because of the Klein-Nishina effect in the cross section. Doppler boosting has a strong effect on the observer luminosity. Conclusions: The emission levels for individual interactions found here are in the line of previous, more approximate, estimates, strengthening the hypothesis that collective jet-star interactions could significantly contribute at high energies under efficient particle acceleration.

Predicted thermal response of a cryogenic fuel tank exposed to simulated aerodynamic heating profiles with different cryogens and fill levels

NASA Technical Reports Server (NTRS)

Hanna, Gregory J.; Stephens, Craig A.

1991-01-01

A two dimensional finite difference thermal model was developed to predict the effects of heating profile, fill level, and cryogen type prior to experimental testing the Generic Research Cryogenic Tank (GRCT). These numerical predictions will assist in defining test scenarios, sensor locations, and venting requirements for the GRCT experimental tests. Boiloff rates, tank-wall and fluid temperatures, and wall heat fluxes were determined for 20 computational test cases. The test cases spanned three discrete fill levels and three heating profiles for hydrogen and nitrogen.

Electrical resistivity and thermal conductivity of liquid aluminum in the two-temperature state

NASA Astrophysics Data System (ADS)

Petrov, Yu V.; Inogamov, N. A.; Mokshin, A. V.; Galimzyanov, B. N.

2018-01-01

The electrical resistivity and thermal conductivity of liquid aluminum in the two-temperature state is calculated by using the relaxation time approach and structural factor of ions obtained by molecular dynamics simulation. Resistivity witin the Ziman-Evans approach is also considered to be higher than in the approach with previously calculated conductivity via the relaxation time. Calculations based on the construction of the ion structural factor through the classical molecular dynamics and kinetic equation for electrons are more economical in terms of computing resources and give results close to the Kubo-Greenwood with the quantum molecular dynamics calculations.

X-ray Crystallographic Structure of Thermophilic Rhodopsin: IMPLICATIONS FOR HIGH THERMAL STABILITY AND OPTOGENETIC FUNCTION.

PubMed

Tsukamoto, Takashi; Mizutani, Kenji; Hasegawa, Taisuke; Takahashi, Megumi; Honda, Naoya; Hashimoto, Naoki; Shimono, Kazumi; Yamashita, Keitaro; Yamamoto, Masaki; Miyauchi, Seiji; Takagi, Shin; Hayashi, Shigehiko; Murata, Takeshi; Sudo, Yuki

2016-06-03

Thermophilic rhodopsin (TR) is a photoreceptor protein with an extremely high thermal stability and the first characterized light-driven electrogenic proton pump derived from the extreme thermophile Thermus thermophilus JL-18. In this study, we confirmed its high thermal stability compared with other microbial rhodopsins and also report the potential availability of TR for optogenetics as a light-induced neural silencer. The x-ray crystal structure of TR revealed that its overall structure is quite similar to that of xanthorhodopsin, including the presence of a putative binding site for a carotenoid antenna; but several distinct structural characteristics of TR, including a decreased surface charge and a larger number of hydrophobic residues and aromatic-aromatic interactions, were also clarified. Based on the crystal structure, the structural changes of TR upon thermal stimulation were investigated by molecular dynamics simulations. The simulations revealed the presence of a thermally induced structural substate in which an increase of hydrophobic interactions in the extracellular domain, the movement of extracellular domains, the formation of a hydrogen bond, and the tilting of transmembrane helices were observed. From the computational and mutational analysis, we propose that an extracellular LPGG motif between helices F and G plays an important role in the thermal stability, acting as a "thermal sensor." These findings will be valuable for understanding retinal proteins with regard to high protein stability and high optogenetic performance. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Improving the thermal efficiency of a jaggery production module using a fire-tube heat exchanger.

PubMed

La Madrid, Raul; Orbegoso, Elder Mendoza; Saavedra, Rafael; Marcelo, Daniel

2017-12-15

Jaggery is a product obtained after heating and evaporation processes have been applied to sugar cane juice via the addition of thermal energy, followed by the crystallisation process through mechanical agitation. At present, jaggery production uses furnaces and pans that are designed empirically based on trial and error procedures, which results in low ranges of thermal efficiency operation. To rectify these deficiencies, this study proposes the use of fire-tube pans to increase heat transfer from the flue gases to the sugar cane juice. With the aim of increasing the thermal efficiency of a jaggery installation, a computational fluid dynamic (CFD)-based model was used as a numerical tool to design a fire-tube pan that would replace the existing finned flat pan. For this purpose, the original configuration of the jaggery furnace was simulated via a pre-validated CFD model in order to calculate its current thermal performance. Then, the newly-designed fire-tube pan was virtually replaced in the jaggery furnace with the aim of numerically estimating the thermal performance at the same operating conditions. A comparison of both simulations highlighted the growth of the heat transfer rate at around 105% in the heating/evaporation processes when the fire-tube pan replaced the original finned flat pan. This enhancement impacted the jaggery production installation, whereby the thermal efficiency of the installation increased from 31.4% to 42.8%. Copyright © 2017 Elsevier Ltd. All rights reserved.

Mission definition study for Stanford relativity satellite. Volume 3: Appendices

NASA Technical Reports Server (NTRS)

1971-01-01

An analysis is presented for the cost of the mission as a function of the following variables: amount of redundancy in the spacecraft, amount of care taken in building the spacecraft (functional and environmental tests, screening of components, quality control, etc), and the number of flights necessary to accomplish the mission. Thermal analysis and mathematical models for the experimental components are presented. The results of computer structural and stress analyses for support and cylinders are discussed. Reliability, quality control, and control system simulation by computer are also considered.

Computational Materials Research

NASA Technical Reports Server (NTRS)

Hinkley, Jeffrey A. (Editor); Gates, Thomas S. (Editor)

1996-01-01

Computational Materials aims to model and predict thermodynamic, mechanical, and transport properties of polymer matrix composites. This workshop, the second coordinated by NASA Langley, reports progress in measurements and modeling at a number of length scales: atomic, molecular, nano, and continuum. Assembled here are presentations on quantum calculations for force field development, molecular mechanics of interfaces, molecular weight effects on mechanical properties, molecular dynamics applied to poling of polymers for electrets, Monte Carlo simulation of aromatic thermoplastics, thermal pressure coefficients of liquids, ultrasonic elastic constants, group additivity predictions, bulk constitutive models, and viscoplasticity characterization.

U.S. Geological Survey Groundwater Modeling Software: Making Sense of a Complex Natural Resource

USGS Publications Warehouse

Provost, Alden M.; Reilly, Thomas E.; Harbaugh, Arlen W.; Pollock, David W.

2009-01-01

Computer models of groundwater systems simulate the flow of groundwater, including water levels, and the transport of chemical constituents and thermal energy. Groundwater models afford hydrologists a framework on which to organize their knowledge and understanding of groundwater systems, and they provide insights water-resources managers need to plan effectively for future water demands. Building on decades of experience, the U.S. Geological Survey (USGS) continues to lead in the development and application of computer software that allows groundwater models to address scientific and management questions of increasing complexity.

An investigation of thermal comfort inside an automobile during the heating period.

PubMed

Kaynakli, Omer; Kilic, Muhsin

2005-05-01

This paper describes a combined theoretical and experimental study of thermal comfort during the heating period inside an automobile. To investigate the effects of thermal conditions on the human physiology and thermal comfort during the heating period, temperature, humidity and air velocity were measured at a number of points inside the automobile, so thermal conditions were accurately determined. The human body was divided into 16 sedentary segments, and the change of temperature was observed both experimentally and theoretically. During transient conditions of the heating period, heat and mass transfer between the human body and the interior environment of an automobile were simulated by a computational model, and predictions were compared with the measured data. It is shown that there is a good agreement between the model predictions and experimental results. By means of the present model, the effects of the fast transient conditions of the heating period on the sensible and latent heat transfer from the body, body segments skin temperatures and thermal sensation were investigated in detail.

Investigation of thermal energy transport interface of hybrid graphene-carbon nanotube/polyethylene nanocomposites.

PubMed

Liu, Feng; Liu, Xuyang; Hu, Ning; Ning, Huiming; Atobe, Satoshi; Yan, Cheng; Mo, Fuhao; Fu, Shaoyun; Zhang, Jianyu; Wang, Yu; Mu, Xiaojing

2017-10-31

It is well known the thermal properties of three-dimensional (3-D) hybrid graphene (GR)-carbon nanotube (CNT) structures are not superior to that of the individual GR and CNT, however, the 3-D hybrid GR-CNT structures can effectively improve the thermal properties of polymer matrix. Therefore, understanding the thermal energy transport in the interface between polymer matrix and 3-D hybrid GR-CNT structure is essential. Here, the enhancement mechanism of interfacial thermal transport of hybrid GR-CNT structure was explored by applying non-equilibrium molecular dynamics (NEMD) simulations. Three different types of hybrid GR-CNT structures were built. The influences of CNT radius and CNT type for the hybrid GR-CNT on the interfacial thermal properties were also analyzed. Computational results show that among the three different types of hybrid GR-CNT structures, the Model-I, i.e., the covalent bond hybrid GR-CNT structures are of the best interfacial thermal properties. Meanwhile, the CNT radius of hybrid GR-CNT structure has a great influence on the interfacial thermal properties.

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.

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

High Temperature Shear Horizontal Electromagnetic Acoustic Transducer for Guided Wave Inspection

PubMed Central

Kogia, Maria; Gan, Tat-Hean; Balachandran, Wamadeva; Livadas, Makis; Kappatos, Vassilios; Szabo, Istvan; Mohimi, Abbas; Round, Andrew

2016-01-01

Guided Wave Testing (GWT) using novel Electromagnetic Acoustic Transducers (EMATs) is proposed for the inspection of large structures operating at high temperatures. To date, high temperature EMATs have been developed only for thickness measurements and they are not suitable for GWT. A pair of water-cooled EMATs capable of exciting and receiving Shear Horizontal (SH0) waves for GWT with optimal high temperature properties (up to 500 °C) has been developed. Thermal and Computational Fluid Dynamic (CFD) simulations of the EMAT design have been performed and experimentally validated. The optimal thermal EMAT design, material selection and operating conditions were calculated. The EMAT was successfully tested regarding its thermal and GWT performance from ambient temperature to 500 °C. PMID:27110792

Micromechanical models for textile structural composites

NASA Technical Reports Server (NTRS)

Marrey, Ramesh V.; Sankar, Bhavani V.

1995-01-01

The objective is to develop micromechanical models for predicting the stiffness and strength properties of textile composite materials. Two models are presented to predict the homogeneous elastic constants and coefficients of thermal expansion of a textile composite. The first model is based on rigorous finite element analysis of the textile composite unit-cell. Periodic boundary conditions are enforced between opposite faces of the unit-cell to simulate deformations accurately. The second model implements the selective averaging method (SAM), which is based on a judicious combination of stiffness and compliance averaging. For thin textile composites, both models can predict the plate stiffness coefficients and plate thermal coefficients. The finite element procedure is extended to compute the thermal residual microstresses, and to estimate the initial failure envelope for textile composites.