Wasatch: An architecture-proof multiphysics development environment using a Domain Specific Language and graph theory

DOE PAGES

Saad, Tony; Sutherland, James C.

2016-05-04

To address the coding and software challenges of modern hybrid architectures, we propose an approach to multiphysics code development for high-performance computing. This approach is based on using a Domain Specific Language (DSL) in tandem with a directed acyclic graph (DAG) representation of the problem to be solved that allows runtime algorithm generation. When coupled with a large-scale parallel framework, the result is a portable development framework capable of executing on hybrid platforms and handling the challenges of multiphysics applications. In addition, we share our experience developing a code in such an environment – an effort that spans an interdisciplinarymore » team of engineers and computer scientists.« less

Pervasive Restart In MOOSE-based Applications

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

Derek Gaston; Cody Permann; David Andrs

Multiphysics applications are inherently complicated. Solving for multiple, interacting physical phenomena involves the solution of multiple equations, and each equation has its own data dependencies. Feeding the correct data to these equations at exactly the right time requires extensive effort in software design. In an ideal world, multiphysics applications always run to completion and produce correct answers. Unfortunately, in reality, there can be many reasons why a simulation might fail: power outage, system failure, exceeding a runtime allotment on a supercomputer, failure of the solver to converge, etc. A failure after many hours spent computing can be a significant setbackmore » for a project. Therefore, the ability to “continue” a solve from the point of failure, rather than starting again from scratch, is an essential component of any high-quality simulation tool. This process of “continuation” is commonly termed “restart” in the computational community. While the concept of restarting an application sounds ideal, the aforementioned complexities and data dependencies present in multiphysics applications make its implementation decidedly non-trivial. A running multiphysics calculation accumulates an enormous amount of “state”: current time, solution history, material properties, status of mechanical contact, etc. This “state” data comes in many different forms, including scalar, tensor, vector, and arbitrary, application-specific data types. To be able to restart an application, you must be able to both store and retrieve this data, effectively recreating the state of the application before the failure. When utilizing the Multiphysics Object Oriented Simulation Environment (MOOSE) framework developed at Idaho National Laboratory, this state data is stored both internally within the framework itself (such as solution vectors and the current time) and within the applications that use the framework. In order to implement restart in MOOSE-based applications, the total state of the system (both within the framework and without) must be stored and retrieved. To this end, the MOOSE team has implemented a “pervasive” restart capability which allows any object within MOOSE (or within a MOOSE-based application) to be declared as “state” data, and handles the storage and retrieval of said data.« less

Computationally efficient optimization of radiation drives

NASA Astrophysics Data System (ADS)

Zimmerman, George; Swift, Damian

2017-06-01

For many applications of pulsed radiation, the temporal pulse shape is designed to induce a desired time-history of conditions. This optimization is normally performed using multi-physics simulations of the system, adjusting the shape until the desired response is induced. These simulations may be computationally intensive, and iterative forward optimization is then expensive and slow. In principle, a simulation program could be modified to adjust the radiation drive automatically until the desired instantaneous response is achieved, but this may be impracticable in a complicated multi-physics program. However, the computational time increment is typically much shorter than the time scale of changes in the desired response, so the radiation intensity can be adjusted so that the response tends toward the desired value. This relaxed in-situ optimization method can give an adequate design for a pulse shape in a single forward simulation, giving a typical gain in computational efficiency of tens to thousands. This approach was demonstrated for the design of laser pulse shapes to induce ramp loading to high pressure in target assemblies where different components had significantly different mechanical impedance, requiring careful pulse shaping. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Multiphysics and multiscale modelling, data-model fusion and integration of organ physiology in the clinic: ventricular cardiac mechanics.

PubMed

Chabiniok, Radomir; Wang, Vicky Y; Hadjicharalambous, Myrianthi; Asner, Liya; Lee, Jack; Sermesant, Maxime; Kuhl, Ellen; Young, Alistair A; Moireau, Philippe; Nash, Martyn P; Chapelle, Dominique; Nordsletten, David A

2016-04-06

With heart and cardiovascular diseases continually challenging healthcare systems worldwide, translating basic research on cardiac (patho)physiology into clinical care is essential. Exacerbating this already extensive challenge is the complexity of the heart, relying on its hierarchical structure and function to maintain cardiovascular flow. Computational modelling has been proposed and actively pursued as a tool for accelerating research and translation. Allowing exploration of the relationships between physics, multiscale mechanisms and function, computational modelling provides a platform for improving our understanding of the heart. Further integration of experimental and clinical data through data assimilation and parameter estimation techniques is bringing computational models closer to use in routine clinical practice. This article reviews developments in computational cardiac modelling and how their integration with medical imaging data is providing new pathways for translational cardiac modelling.

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.

Fluid flow in the osteocyte mechanical environment: a fluid-structure interaction approach.

PubMed

Verbruggen, Stefaan W; Vaughan, Ted J; McNamara, Laoise M

2014-01-01

Osteocytes are believed to be the primary sensor of mechanical stimuli in bone, which orchestrate osteoblasts and osteoclasts to adapt bone structure and composition to meet physiological loading demands. Experimental studies to quantify the mechanical environment surrounding bone cells are challenging, and as such, computational and theoretical approaches have modelled either the solid or fluid environment of osteocytes to predict how these cells are stimulated in vivo. Osteocytes are an elastic cellular structure that deforms in response to the external fluid flow imposed by mechanical loading. This represents a most challenging multi-physics problem in which fluid and solid domains interact, and as such, no previous study has accounted for this complex behaviour. The objective of this study is to employ fluid-structure interaction (FSI) modelling to investigate the complex mechanical environment of osteocytes in vivo. Fluorescent staining of osteocytes was performed in order to visualise their native environment and develop geometrically accurate models of the osteocyte in vivo. By simulating loading levels representative of vigorous physiological activity ([Formula: see text] compression and 300 Pa pressure gradient), we predict average interstitial fluid velocities [Formula: see text] and average maximum shear stresses [Formula: see text] surrounding osteocytes in vivo. Interestingly, these values occur in the canaliculi around the osteocyte cell processes and are within the range of stimuli known to stimulate osteogenic responses by osteoblastic cells in vitro. Significantly our results suggest that the greatest mechanical stimulation of the osteocyte occurs in the cell processes, which, cell culture studies have indicated, is the most mechanosensitive area of the cell. These are the first computational FSI models to simulate the complex multi-physics mechanical environment of osteocyte in vivo and provide a deeper understanding of bone mechanobiology.

Dependency graph for code analysis on emerging architectures

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

Shashkov, Mikhail Jurievich; Lipnikov, Konstantin

Direct acyclic dependency (DAG) graph is becoming the standard for modern multi-physics codes.The ideal DAG is the true block-scheme of a multi-physics code. Therefore, it is the convenient object for insitu analysis of the cost of computations and algorithmic bottlenecks related to statistical frequent data motion and dymanical machine state.

A coupled diffusion-fluid pressure model to predict cell density distribution for cells encapsulated in a porous hydrogel scaffold under mechanical loading.

PubMed

Zhao, Feihu; Vaughan, Ted J; Mc Garrigle, Myles J; McNamara, Laoise M

2017-10-01

Tissue formation within tissue engineering (TE) scaffolds is preceded by growth of the cells throughout the scaffold volume and attachment of cells to the scaffold substrate. It is known that mechanical stimulation, in the form of fluid perfusion or mechanical strain, enhances cell differentiation and overall tissue formation. However, due to the complex multi-physics environment of cells within TE scaffolds, cell transport under mechanical stimulation is not fully understood. Therefore, in this study, we have developed a coupled multiphysics model to predict cell density distribution in a TE scaffold. In this model, cell transport is modelled as a thermal conduction process, which is driven by the pore fluid pressure under applied loading. As a case study, the model is investigated to predict the cell density patterns of pre-osteoblasts MC3T3-e1 cells under a range of different loading regimes, to obtain an understanding of desirable mechanical stimulation that will enhance cell density distribution within TE scaffolds. The results of this study have demonstrated that fluid perfusion can result in a higher cell density in the scaffold region closed to the outlet, while cell density distribution under mechanical compression was similar with static condition. More importantly, the study provides a novel computational approach to predict cell distribution in TE scaffolds under mechanical loading. Copyright © 2017 Elsevier Ltd. All rights reserved.

A mathematical model for predicting photo-induced voltage and photostriction of PLZT with coupled multi-physics fields and its application

NASA Astrophysics Data System (ADS)

Huang, J. H.; Wang, X. J.; Wang, J.

2016-02-01

The primary purpose of this paper is to propose a mathematical model of PLZT ceramic with coupled multi-physics fields, e.g. thermal, electric, mechanical and light field. To this end, the coupling relationships of multi-physics fields and the mechanism of some effects resulting in the photostrictive effect are analyzed theoretically, based on which a mathematical model considering coupled multi-physics fields is established. According to the analysis and experimental results, the mathematical model can explain the hysteresis phenomenon and the variation trend of the photo-induced voltage very well and is in agreement with the experimental curves. In addition, the PLZT bimorph is applied as an energy transducer for a photovoltaic-electrostatic hybrid actuated micromirror, and the relation of the rotation angle and the photo-induced voltage is discussed based on the novel photostrictive mathematical model.

Prediction of the Lorentz Force Detuning and pressure sensitivity for a Pillbox cavity

DOE PAGES

Parise, M.

2018-05-18

The Lorentz Force Detuning (LFD) and the pressure sensitivity are two critical concerns during the design of a Superconducting Radio Frequency (SRF) cavity resonator. The mechanical deformation of the bare Niobium cavity walls, due to the electromagnetic fields and fluctuation of the external pressure in the Helium bath, can dynamically and statically detune the frequency of the cavity and can cause beam phase errors. The frequency shift can be compensated by additional RF power, that is required to maintain the accelerating gradient, or by sophisticated tuning mechanisms and control-compensation algorithms. Passive stiffening is one of the simplest and most effectivemore » tools that can be used during the early design phase, capable of satisfying the Radio Frequency (RF) requisites. This approach requires several multiphysics simulations as well as a deep mechanical and RF knowledge of the phenomena involved. In this paper, is presented a new numerical model for a pillbox cavity that can predict the frequency shifts caused by the LFD and external pressure. This method allows to greatly reduce the computational effort, which is necessary to meet the RF requirements and to keep track of the frequency shifts without using the time consuming multiphysics simulations.« less

Prediction of the Lorentz Force Detuning and pressure sensitivity for a Pillbox cavity

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

Parise, M.

The Lorentz Force Detuning (LFD) and the pressure sensitivity are two critical concerns during the design of a Superconducting Radio Frequency (SRF) cavity resonator. The mechanical deformation of the bare Niobium cavity walls, due to the electromagnetic fields and fluctuation of the external pressure in the Helium bath, can dynamically and statically detune the frequency of the cavity and can cause beam phase errors. The frequency shift can be compensated by additional RF power, that is required to maintain the accelerating gradient, or by sophisticated tuning mechanisms and control-compensation algorithms. Passive stiffening is one of the simplest and most effectivemore » tools that can be used during the early design phase, capable of satisfying the Radio Frequency (RF) requisites. This approach requires several multiphysics simulations as well as a deep mechanical and RF knowledge of the phenomena involved. In this paper, is presented a new numerical model for a pillbox cavity that can predict the frequency shifts caused by the LFD and external pressure. This method allows to greatly reduce the computational effort, which is necessary to meet the RF requirements and to keep track of the frequency shifts without using the time consuming multiphysics simulations.« less

Prediction of the Lorentz Force Detuning and pressure sensitivity for a Pillbox cavity

NASA Astrophysics Data System (ADS)

Parise, M.

2018-05-01

The Lorentz Force Detuning (LFD) and the pressure sensitivity are two critical concerns during the design of a Superconducting Radio Frequency (SRF) cavity resonator. The mechanical deformation of the bare Niobium cavity walls, due to the electromagnetic fields and fluctuation of the external pressure in the Helium bath, can dynamically and statically detune the frequency of the cavity and can cause beam phase errors. The frequency shift can be compensated by additional RF power, that is required to maintain the accelerating gradient, or by sophisticated tuning mechanisms and control-compensation algorithms. Passive stiffening is one of the simplest and most effective tools that can be used during the early design phase, capable of satisfying the Radio Frequency (RF) requisites. This approach requires several multiphysics simulations as well as a deep mechanical and RF knowledge of the phenomena involved. In this paper, is presented a new numerical model for a pillbox cavity that can predict the frequency shifts caused by the LFD and external pressure. This method allows to greatly reduce the computational effort, which is necessary to meet the RF requirements and to keep track of the frequency shifts without using the time consuming multiphysics simulations.

Prediction of the Lorentz Force Detuning and Pressure Sensitivity for a Pillbox Cavity

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

Parise, M.

2018-04-23

The Lorentz Force Detuning (LFD) and the pressure sensitivity are two critical concerns during the design of a Superconducting Radio Frequency (SRF) cavity resonator. The mechanical deformation of the bare Niobium cavity walls, due to the electromagnetic fields and fluctuation of the external pressure in the Helium bath, can dynamically and statically detune the frequency of the cavity and can cause beam phase errors. The frequency shift can be compensated by additional RF power, that is required to maintain the accelerating gradient, or by sophisticated tuning mechanisms and control-compensation algorithms. Passive stiffening is one of the simplest and most effectivemore » tools that can be used during the early design phase, capable of satisfying the Radio Frequency (RF) requisites. This approach requires several multiphysics simulations as well as a deep mechanical and RF knowledge of the phenomena involved. In this paper, is presented a new numerical model for a pillbox cavity that can predict the frequency shifts caused by the LFD and external pressure. This method allows to greatly reduce the computational effort, which is necessary to meet the RF requirements and to keep track of the frequency shifts without using the time consuming multiphysics simulations.« less

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

NASA Astrophysics Data System (ADS)

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

2017-04-01

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

General linear methods and friends: Toward efficient solutions of multiphysics problems

NASA Astrophysics Data System (ADS)

Sandu, Adrian

2017-07-01

Time dependent multiphysics partial differential equations are of great practical importance as they model diverse phenomena that appear in mechanical and chemical engineering, aeronautics, astrophysics, meteorology and oceanography, financial modeling, environmental sciences, etc. There is no single best time discretization for the complex multiphysics systems of practical interest. We discuss "multimethod" approaches that combine different time steps and discretizations using the rigourous frameworks provided by Partitioned General Linear Methods and Generalize-structure Additive Runge Kutta Methods..

Tackling some of the most intricate geophysical challenges via high-performance computing

NASA Astrophysics Data System (ADS)

Khosronejad, A.

2016-12-01

Recently, world has been witnessing significant enhancements in computing power of supercomputers. Computer clusters in conjunction with the advanced mathematical algorithms has set the stage for developing and applying powerful numerical tools to tackle some of the most intricate geophysical challenges that today`s engineers face. One such challenge is to understand how turbulent flows, in real-world settings, interact with (a) rigid and/or mobile complex bed bathymetry of waterways and sea-beds in the coastal areas; (b) objects with complex geometry that are fully or partially immersed; and (c) free-surface of waterways and water surface waves in the coastal area. This understanding is especially important because the turbulent flows in real-world environments are often bounded by geometrically complex boundaries, which dynamically deform and give rise to multi-scale and multi-physics transport phenomena, and characterized by multi-lateral interactions among various phases (e.g. air/water/sediment phases). Herein, I present some of the multi-scale and multi-physics geophysical fluid mechanics processes that I have attempted to study using an in-house high-performance computational model, the so-called VFS-Geophysics. More specifically, I will present the simulation results of turbulence/sediment/solute/turbine interactions in real-world settings. Parts of the simulations I present are performed to gain scientific insights into the processes such as sand wave formation (A. Khosronejad, and F. Sotiropoulos, (2014), Numerical simulation of sand waves in a turbulent open channel flow, Journal of Fluid Mechanics, 753:150-216), while others are carried out to predict the effects of climate change and large flood events on societal infrastructures ( A. Khosronejad, et al., (2016), Large eddy simulation of turbulence and solute transport in a forested headwater stream, Journal of Geophysical Research:, doi: 10.1002/2014JF003423).

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.

2011-06-01

High explosive shock sensitivity is controlled by a combination of mechanical response, thermal properties, and chemical properties. The interplay of these physical phenomena in realistic condensed energetic materials is currently lacking. A multiscale computational framework is developed investigating hot spot (void) ignition in a single crystal of an insensitive HE, TATB. Atomistic MD simulations are performed to provide the key chemical reactions and these reaction rates are used in 3-D multiphysics simulations. The multiphysics code, ALE3D, is linked to the chemistry software, Cheetah, and a three-way coupled approach is pursued including hydrodynamics, thermal and chemical analyses. A single spherical air bubble is embedded in the insensitive HE and its collapse due to shock initiation is evolved numerically in time; while the ignition processes due chemical reactions are studied. Our current predictions showcase several interesting features regarding hot spot dynamics including the formation of a ``secondary'' jet. Results obtained with hydro-thermo-chemical processes leading to ignition growth will be discussed for various pore sizes and different shock pressures. LLNL-ABS-471438. This work performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

Multiphysics analysis of liquid metal annular linear induction pumps: A project overview

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

Maidana, Carlos Omar; Nieminen, Juha E.

Liquid metal-cooled fission reactors are both moderated and cooled by a liquid metal solution. These reactors are typically very compact and they can be used in regular electric power production, for naval and space propulsion systems or in fission surface power systems for planetary exploration. The coupling between the electromagnetics and thermo-fluid mechanical phenomena observed in liquid metal thermo-magnetic systems for nuclear and space applications gives rise to complex engineering magnetohydrodynamics and numerical problems. It is known that electromagnetic pumps have a number of advantages over rotating mechanisms: absence of moving parts, low noise and vibration level, simplicity of flowmore » rate regulation, easy maintenance and so on. However, while developing annular linear induction pumps, we are faced with a significant problem of magnetohydrodynamic instability arising in the device. The complex flow behavior in this type of devices includes a time-varying Lorentz force and pressure pulsation due to the time-varying electromagnetic fields and the induced convective currents that originates from the liquid metal flow, leading to instability problems along the device geometry. The determinations of the geometry and electrical configuration of liquid metal thermo-magnetic devices give rise to a complex inverse magnetohydrodynamic field problem were techniques for global optimization should be used, magnetohydrodynamics instabilities understood –or quantified- and multiphysics models developed and analyzed. Lastly, we present a project overview as well as a few computational models developed to study liquid metal annular linear induction pumps using first principles and the a few results of our multi-physics analysis.« less

Multiphysics analysis of liquid metal annular linear induction pumps: A project overview

DOE PAGES

Maidana, Carlos Omar; Nieminen, Juha E.

2016-03-14

Liquid metal-cooled fission reactors are both moderated and cooled by a liquid metal solution. These reactors are typically very compact and they can be used in regular electric power production, for naval and space propulsion systems or in fission surface power systems for planetary exploration. The coupling between the electromagnetics and thermo-fluid mechanical phenomena observed in liquid metal thermo-magnetic systems for nuclear and space applications gives rise to complex engineering magnetohydrodynamics and numerical problems. It is known that electromagnetic pumps have a number of advantages over rotating mechanisms: absence of moving parts, low noise and vibration level, simplicity of flowmore » rate regulation, easy maintenance and so on. However, while developing annular linear induction pumps, we are faced with a significant problem of magnetohydrodynamic instability arising in the device. The complex flow behavior in this type of devices includes a time-varying Lorentz force and pressure pulsation due to the time-varying electromagnetic fields and the induced convective currents that originates from the liquid metal flow, leading to instability problems along the device geometry. The determinations of the geometry and electrical configuration of liquid metal thermo-magnetic devices give rise to a complex inverse magnetohydrodynamic field problem were techniques for global optimization should be used, magnetohydrodynamics instabilities understood –or quantified- and multiphysics models developed and analyzed. Lastly, we present a project overview as well as a few computational models developed to study liquid metal annular linear induction pumps using first principles and the a few results of our multi-physics analysis.« less

FEM and Multiphysics Applications at NASA/GSFC

NASA Technical Reports Server (NTRS)

Loughlin, James

2004-01-01

FEM software available to the Mechanical Systems Analysis and Simulation Branch at Goddard Space Flight Center (GSFC) include: 1) MSC/Nastran; 2) Abaqus; 3) Ansys/Multiphysics; 4) COSMOS/M; 5) 'Home-grown' programs; 6) Pre/post processors such as Patran and FEMAP. This viewgraph presentation provides additional information on MSC/Nastran and Ansys/Multiphysics, and includes screen shots of analyzed equipment, including the Wilkinson Microwave Anistropy Probe, a micro-mirror, a MEMS tunable filter, and a micro-shutter array. The presentation also includes information on the verification of results.

Multiphysics Thermal-Fluid Design Analysis of a Non-Nuclear Tester for Hot-Hydrogen Materials and Component Development

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Foote, John; Litchford, Ron

2006-01-01

The objective of this effort is to perform design analyses for a non-nuclear hot-hydrogen materials tester, as a first step towards developing efficient and accurate multiphysics, thermo-fluid computational methodology to predict environments for hypothetical solid-core, nuclear thermal engine thrust chamber design and analysis. The computational methodology is based on a multidimensional, finite-volume, turbulent, chemically reacting, thermally radiating, unstructured-grid, and pressure-based formulation. The multiphysics invoked in this study include hydrogen dissociation kinetics and thermodynamics, turbulent flow, convective, and thermal radiative heat transfers. The goals of the design analyses are to maintain maximum hot-hydrogen jet impingement energy and to minimize chamber wall heating. The results of analyses on three test fixture configurations and the rationale for final selection are presented. The interrogation of physics revealed that reactions of hydrogen dissociation and recombination are highly correlated with local temperature and are necessary for accurate prediction of the hot-hydrogen jet temperature.

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

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

Pesaran, Ahmad A.; Yang, Chuanbo

2016-03-24

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

The Application of COMSOL Multiphysics Package on the Modelling of Complex 3-D Lithospheric Electrical Resistivity Structures - A Case Study from the Proterozoic Orogenic belt within the North China Craton

NASA Astrophysics Data System (ADS)

Guo, L.; Yin, Y.; Deng, M.; Guo, L.; Yan, J.

2017-12-01

At present, most magnetotelluric (MT) forward modelling and inversion codes are based on finite difference method. But its structured mesh gridding cannot be well adapted for the conditions with arbitrary topography or complex tectonic structures. By contrast, the finite element method is more accurate in calculating complex and irregular 3-D region and has lower requirement of function smoothness. However, the complexity of mesh gridding and limitation of computer capacity has been affecting its application. COMSOL Multiphysics is a cross-platform finite element analysis, solver and multiphysics full-coupling simulation software. It achieves highly accurate numerical simulations with high computational performance and outstanding multi-field bi-directional coupling analysis capability. In addition, its AC/DC and RF module can be used to easily calculate the electromagnetic responses of complex geological structures. Using the adaptive unstructured grid, the calculation is much faster. In order to improve the discretization technique of computing area, we use the combination of Matlab and COMSOL Multiphysics to establish a general procedure for calculating the MT responses for arbitrary resistivity models. The calculated responses include the surface electric and magnetic field components, impedance components, magnetic transfer functions and phase tensors. Then, the reliability of this procedure is certificated by 1-D, 2-D and 3-D and anisotropic forward modeling tests. Finally, we establish the 3-D lithospheric resistivity model for the Proterozoic Wutai-Hengshan Mts. within the North China Craton by fitting the real MT data collected there. The reliability of the model is also verified by induced vectors and phase tensors. Our model shows more details and better resolution, compared with the previously published 3-D model based on the finite difference method. In conclusion, COMSOL Multiphysics package is suitable for modeling the 3-D lithospheric resistivity structures under complex tectonic deformation backgrounds, which could be a good complement to the existing finite-difference inversion algorithms.

Modeling Coupled Physical and Chemical Erosional Processes Using Structure from Motion Reconstruction and Multiphysics Simulation: Applications to Knickpoints in Bedrock Streams in Limestone Caves and on Earth's Surface

NASA Astrophysics Data System (ADS)

Bosch, R.; Ward, D.

2017-12-01

Investigation of erosion rates and processes at knickpoints in surface bedrock streams is an active area of research, involving complex feedbacks in the coupled relationships between dissolution, abrasion, and plucking that have not been sufficiently addressed. Even less research has addressed how these processes operate to propagate knickpoints through cave passages in layered sedimentary rocks, despite these features being common along subsurface streams. In both settings, there is evidence for mechanical and chemical erosion, but in cave passages the different hydrologic and hydraulic regimes, combined with an important role for the dissolution process, affect the relative roles and coupled interactions between these processes, and distinguish them from surface stream knickpoints. Using a novel approach of imaging cave passages using Structure from Motion (SFM), we create 3D geometry meshes to explore these systems using multiphysics simulation, and compare the processes as they occur in caves with those in surface streams. Here we focus on four field sites with actively eroding streambeds that include knickpoints: Upper River Acheron and Devil's Cooling Tub in Mammoth Cave, Kentucky; and two surface streams in Clermont County, Ohio, Avey's Run and Fox Run. SFM 3D reconstructions are built using images exported from 4K video shot at each field location. We demonstrate that SFM is a viable imaging approach for reconstructing cave passages with complex morphologies. We then use these reconstructions to create meshes upon which to run multiphysics simulations using STAR-CCM+. Our approach incorporates multiphase free-surface computational fluid dynamics simulations with sediment transport modeled using discrete element method grains. Physical and chemical properties of the water, bedrock, and sediment enable computation of shear stress, sediment impact forces, and chemical kinetic conditions at the bed surface. Preliminary results prove the efficacy of commercially available multiphysics simulation software for modeling various flow conditions, erosional processes, and their complex coupled interactions in cave passages and in surface stream channels to expand knowledge and understanding of overall cave system development and river profile erosion.

Investigating Darcy-scale assumptions by means of a multiphysics algorithm

NASA Astrophysics Data System (ADS)

Tomin, Pavel; Lunati, Ivan

2016-09-01

Multiphysics (or hybrid) algorithms, which couple Darcy and pore-scale descriptions of flow through porous media in a single numerical framework, are usually employed to decrease the computational cost of full pore-scale simulations or to increase the accuracy of pure Darcy-scale simulations when a simple macroscopic description breaks down. Despite the massive increase in available computational power, the application of these techniques remains limited to core-size problems and upscaling remains crucial for practical large-scale applications. In this context, the Hybrid Multiscale Finite Volume (HMsFV) method, which constructs the macroscopic (Darcy-scale) problem directly by numerical averaging of pore-scale flow, offers not only a flexible framework to efficiently deal with multiphysics problems, but also a tool to investigate the assumptions used to derive macroscopic models and to better understand the relationship between pore-scale quantities and the corresponding macroscale variables. Indeed, by direct comparison of the multiphysics solution with a reference pore-scale simulation, we can assess the validity of the closure assumptions inherent to the multiphysics algorithm and infer the consequences for macroscopic models at the Darcy scale. We show that the definition of the scale ratio based on the geometric properties of the porous medium is well justified only for single-phase flow, whereas in case of unstable multiphase flow the nonlinear interplay between different forces creates complex fluid patterns characterized by new spatial scales, which emerge dynamically and weaken the scale-separation assumption. In general, the multiphysics solution proves very robust even when the characteristic size of the fluid-distribution patterns is comparable with the observation length, provided that all relevant physical processes affecting the fluid distribution are considered. This suggests that macroscopic constitutive relationships (e.g., the relative permeability) should account for the fact that they depend not only on the saturation but also on the actual characteristics of the fluid distribution.

Design and multi-physics optimization of rotary MRF brakes

NASA Astrophysics Data System (ADS)

Topcu, Okan; Taşcıoğlu, Yiğit; Konukseven, Erhan İlhan

2018-03-01

Particle swarm optimization (PSO) is a popular method to solve the optimization problems. However, calculations for each particle will be excessive when the number of particles and complexity of the problem increases. As a result, the execution speed will be too slow to achieve the optimized solution. Thus, this paper proposes an automated design and optimization method for rotary MRF brakes and similar multi-physics problems. A modified PSO algorithm is developed for solving multi-physics engineering optimization problems. The difference between the proposed method and the conventional PSO is to split up the original single population into several subpopulations according to the division of labor. The distribution of tasks and the transfer of information to the next party have been inspired by behaviors of a hunting party. Simulation results show that the proposed modified PSO algorithm can overcome the problem of heavy computational burden of multi-physics problems while improving the accuracy. Wire type, MR fluid type, magnetic core material, and ideal current inputs have been determined by the optimization process. To the best of the authors' knowledge, this multi-physics approach is novel for optimizing rotary MRF brakes and the developed PSO algorithm is capable of solving other multi-physics engineering optimization problems. The proposed method has showed both better performance compared to the conventional PSO and also has provided small, lightweight, high impedance rotary MRF brake designs.

Mingus Discontinuous Multiphysics

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

Pat Notz, Dan Turner

Mingus provides hybrid coupled local/non-local mechanics analysis capabilities that extend several traditional methods to applications with inherent discontinuities. Its primary features include adaptations of solid mechanics, fluid dynamics and digital image correlation that naturally accommodate dijointed data or irregular solution fields by assimilating a variety of discretizations (such as control volume finite elements, peridynamics and meshless control point clouds). The goal of this software is to provide an analysis framework form multiphysics engineering problems with an integrated image correlation capability that can be used for experimental validation and model

Multiphysics Application Coupling Toolkit

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

Campbell, Michael T.

2013-12-02

This particular consortium implementation of the software integration infrastructure will, in large part, refactor portions of the Rocstar multiphysics infrastructure. Development of this infrastructure originated at the University of Illinois DOE ASCI Center for Simulation of Advanced Rockets (CSAR) to support the center's massively parallel multiphysics simulation application, Rocstar, and has continued at IllinoisRocstar, a small company formed near the end of the University-based program. IllinoisRocstar is now licensing these new developments as free, open source, in hopes to help improve their own and others' access to infrastructure which can be readily utilized in developing coupled or composite software systems;more » with particular attention to more rapid production and utilization of multiphysics applications in the HPC environment. There are two major pieces to the consortium implementation, the Application Component Toolkit (ACT), and the Multiphysics Application Coupling Toolkit (MPACT). The current development focus is the ACT, which is (will be) the substrate for MPACT. The ACT itself is built up from the components described in the technical approach. In particular, the ACT has the following major components: 1.The Component Object Manager (COM): The COM package provides encapsulation of user applications, and their data. COM also provides the inter-component function call mechanism. 2.The System Integration Manager (SIM): The SIM package provides constructs and mechanisms for orchestrating composite systems of multiply integrated pieces.« less

Computational mechanics research and support for aerodynamics and hydraulics at TFHRC, year 2 quarter 1 progress report.

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

Lottes, S.A.; Bojanowski, C.; Shen, J.

2012-04-09

The computational fluid dynamics (CFD) and computational structural mechanics (CSM) focus areas at Argonne's Transportation Research and Analysis Computing Center (TRACC) initiated a project to support and compliment the experimental programs at the Turner-Fairbank Highway Research Center (TFHRC) with high performance computing based analysis capabilities in August 2010. The project was established with a new interagency agreement between the Department of Energy and the Department of Transportation to provide collaborative research, development, and benchmarking of advanced three-dimensional computational mechanics analysis methods to the aerodynamics and hydraulics laboratories at TFHRC for a period of five years, beginning in October 2010. Themore » analysis methods employ well-benchmarked and supported commercial computational mechanics software. Computational mechanics encompasses the areas of Computational Fluid Dynamics (CFD), Computational Wind Engineering (CWE), Computational Structural Mechanics (CSM), and Computational Multiphysics Mechanics (CMM) applied in Fluid-Structure Interaction (FSI) problems. The major areas of focus of the project are wind and water effects on bridges - superstructure, deck, cables, and substructure (including soil), primarily during storms and flood events - and the risks that these loads pose to structural failure. For flood events at bridges, another major focus of the work is assessment of the risk to bridges caused by scour of stream and riverbed material away from the foundations of a bridge. Other areas of current research include modeling of flow through culverts to improve design allowing for fish passage, modeling of the salt spray transport into bridge girders to address suitability of using weathering steel in bridges, CFD analysis of the operation of the wind tunnel in the TFHRC wind engineering laboratory. This quarterly report documents technical progress on the project tasks for the period of October through December 2011.« less

Computational mechanics research and support for aerodynamics and hydraulics at TFHRC, year 2 quarter 2 progress report

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

Lottes, S.A.; Bojanowski, C.; Shen, J.

2012-06-28

The computational fluid dynamics (CFD) and computational structural mechanics (CSM) focus areas at Argonne's Transportation Research and Analysis Computing Center (TRACC) initiated a project to support and compliment the experimental programs at the Turner-Fairbank Highway Research Center (TFHRC) with high performance computing based analysis capabilities in August 2010. The project was established with a new interagency agreement between the Department of Energy and the Department of Transportation to provide collaborative research, development, and benchmarking of advanced three-dimensional computational mechanics analysis methods to the aerodynamics and hydraulics laboratories at TFHRC for a period of five years, beginning in October 2010. Themore » analysis methods employ well benchmarked and supported commercial computational mechanics software. Computational mechanics encompasses the areas of Computational Fluid Dynamics (CFD), Computational Wind Engineering (CWE), Computational Structural Mechanics (CSM), and Computational Multiphysics Mechanics (CMM) applied in Fluid-Structure Interaction (FSI) problems. The major areas of focus of the project are wind and water effects on bridges - superstructure, deck, cables, and substructure (including soil), primarily during storms and flood events - and the risks that these loads pose to structural failure. For flood events at bridges, another major focus of the work is assessment of the risk to bridges caused by scour of stream and riverbed material away from the foundations of a bridge. Other areas of current research include modeling of flow through culverts to improve design allowing for fish passage, modeling of the salt spray transport into bridge girders to address suitability of using weathering steel in bridges, CFD analysis of the operation of the wind tunnel in the TFHRC wind engineering laboratory. This quarterly report documents technical progress on the project tasks for the period of January through March 2012.« less

Computational mechanics research and support for aerodynamics and hydraulics at TFHRC, year 1 quarter 3 progress report.

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

Lottes, S.A.; Kulak, R.F.; Bojanowski, C.

2011-08-26

The computational fluid dynamics (CFD) and computational structural mechanics (CSM) focus areas at Argonne's Transportation Research and Analysis Computing Center (TRACC) initiated a project to support and compliment the experimental programs at the Turner-Fairbank Highway Research Center (TFHRC) with high performance computing based analysis capabilities in August 2010. The project was established with a new interagency agreement between the Department of Energy and the Department of Transportation to provide collaborative research, development, and benchmarking of advanced three-dimensional computational mechanics analysis methods to the aerodynamics and hydraulics laboratories at TFHRC for a period of five years, beginning in October 2010. Themore » analysis methods employ well-benchmarked and supported commercial computational mechanics software. Computational mechanics encompasses the areas of Computational Fluid Dynamics (CFD), Computational Wind Engineering (CWE), Computational Structural Mechanics (CSM), and Computational Multiphysics Mechanics (CMM) applied in Fluid-Structure Interaction (FSI) problems. The major areas of focus of the project are wind and water loads on bridges - superstructure, deck, cables, and substructure (including soil), primarily during storms and flood events - and the risks that these loads pose to structural failure. For flood events at bridges, another major focus of the work is assessment of the risk to bridges caused by scour of stream and riverbed material away from the foundations of a bridge. Other areas of current research include modeling of flow through culverts to assess them for fish passage, modeling of the salt spray transport into bridge girders to address suitability of using weathering steel in bridges, vehicle stability under high wind loading, and the use of electromagnetic shock absorbers to improve vehicle stability under high wind conditions. This quarterly report documents technical progress on the project tasks for the period of April through June 2011.« less

gpuSPHASE-A shared memory caching implementation for 2D SPH using CUDA

NASA Astrophysics Data System (ADS)

Winkler, Daniel; Meister, Michael; Rezavand, Massoud; Rauch, Wolfgang

2017-04-01

Smoothed particle hydrodynamics (SPH) is a meshless Lagrangian method that has been successfully applied to computational fluid dynamics (CFD), solid mechanics and many other multi-physics problems. Using the method to solve transport phenomena in process engineering requires the simulation of several days to weeks of physical time. Based on the high computational demand of CFD such simulations in 3D need a computation time of years so that a reduction to a 2D domain is inevitable. In this paper gpuSPHASE, a new open-source 2D SPH solver implementation for graphics devices, is developed. It is optimized for simulations that must be executed with thousands of frames per second to be computed in reasonable time. A novel caching algorithm for Compute Unified Device Architecture (CUDA) shared memory is proposed and implemented. The software is validated and the performance is evaluated for the well established dambreak test case.

A multiphysics and multiscale software environment for modeling astrophysical systems

NASA Astrophysics Data System (ADS)

Portegies Zwart, Simon; McMillan, Steve; Harfst, Stefan; Groen, Derek; Fujii, Michiko; Nualláin, Breanndán Ó.; Glebbeek, Evert; Heggie, Douglas; Lombardi, James; Hut, Piet; Angelou, Vangelis; Banerjee, Sambaran; Belkus, Houria; Fragos, Tassos; Fregeau, John; Gaburov, Evghenii; Izzard, Rob; Jurić, Mario; Justham, Stephen; Sottoriva, Andrea; Teuben, Peter; van Bever, Joris; Yaron, Ofer; Zemp, Marcel

2009-05-01

We present MUSE, a software framework for combining existing computational tools for different astrophysical domains into a single multiphysics, multiscale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for studying generalized stellar systems. We have now reached a "Noah's Ark" milestone, with (at least) two available numerical solvers for each domain. MUSE can treat multiscale and multiphysics systems in which the time- and size-scales are well separated, like simulating the evolution of planetary systems, small stellar associations, dense stellar clusters, galaxies and galactic nuclei. In this paper we describe three examples calculated using MUSE: the merger of two galaxies, the merger of two evolving stars, and a hybrid N-body simulation. In addition, we demonstrate an implementation of MUSE on a distributed computer which may also include special-purpose hardware, such as GRAPEs or GPUs, to accelerate computations. The current MUSE code base is publicly available as open source at http://muse.li.

3D multiphysics modeling of superconducting cavities with a massively parallel simulation suite

NASA Astrophysics Data System (ADS)

Kononenko, Oleksiy; Adolphsen, Chris; Li, Zenghai; Ng, Cho-Kuen; Rivetta, Claudio

2017-10-01

Radiofrequency cavities based on superconducting technology are widely used in particle accelerators for various applications. The cavities usually have high quality factors and hence narrow bandwidths, so the field stability is sensitive to detuning from the Lorentz force and external loads, including vibrations and helium pressure variations. If not properly controlled, the detuning can result in a serious performance degradation of a superconducting accelerator, so an understanding of the underlying detuning mechanisms can be very helpful. Recent advances in the simulation suite ace3p have enabled realistic multiphysics characterization of such complex accelerator systems on supercomputers. In this paper, we present the new capabilities in ace3p for large-scale 3D multiphysics modeling of superconducting cavities, in particular, a parallel eigensolver for determining mechanical resonances, a parallel harmonic response solver to calculate the response of a cavity to external vibrations, and a numerical procedure to decompose mechanical loads, such as from the Lorentz force or piezoactuators, into the corresponding mechanical modes. These capabilities have been used to do an extensive rf-mechanical analysis of dressed TESLA-type superconducting cavities. The simulation results and their implications for the operational stability of the Linac Coherent Light Source-II are discussed.

Unsteady Cascade Aerodynamic Response Using a Multiphysics Simulation Code

NASA Technical Reports Server (NTRS)

Lawrence, C.; Reddy, T. S. R.; Spyropoulos, E.

2000-01-01

The multiphysics code Spectrum(TM) is applied to calculate the unsteady aerodynamic pressures of oscillating cascade of airfoils representing a blade row of a turbomachinery component. Multiphysics simulation is based on a single computational framework for the modeling of multiple interacting physical phenomena, in the present case being between fluids and structures. Interaction constraints are enforced in a fully coupled manner using the augmented-Lagrangian method. The arbitrary Lagrangian-Eulerian method is utilized to account for deformable fluid domains resulting from blade motions. Unsteady pressures are calculated for a cascade designated as the tenth standard, and undergoing plunging and pitching oscillations. The predicted unsteady pressures are compared with those obtained from an unsteady Euler co-de refer-red in the literature. The Spectrum(TM) code predictions showed good correlation for the cases considered.

Computational mechanics research and support for aerodynamics and hydraulics at TFHRC. Quarterly report January through March 2011. Year 1 Quarter 2 progress report.

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

Lottes, S. A.; Kulak, R. F.; Bojanowski, C.

2011-05-19

This project was established with a new interagency agreement between the Department of Energy and the Department of Transportation to provide collaborative research, development, and benchmarking of advanced three-dimensional computational mechanics analysis methods to the aerodynamics and hydraulics laboratories at the Turner-Fairbank Highway Research Center for a period of five years, beginning in October 2010. The analysis methods employ well-benchmarked and supported commercial computational mechanics software. Computational mechanics encompasses the areas of Computational Fluid Dynamics (CFD), Computational Wind Engineering (CWE), Computational Structural Mechanics (CSM), and Computational Multiphysics Mechanics (CMM) applied in Fluid-Structure Interaction (FSI) problems. The major areas of focusmore » of the project are wind and water loads on bridges - superstructure, deck, cables, and substructure (including soil), primarily during storms and flood events - and the risks that these loads pose to structural failure. For flood events at bridges, another major focus of the work is assessment of the risk to bridges caused by scour of stream and riverbed material away from the foundations of a bridge. Other areas of current research include modeling of flow through culverts to assess them for fish passage, modeling of the salt spray transport into bridge girders to address suitability of using weathering steel in bridges, vehicle stability under high wind loading, and the use of electromagnetic shock absorbers to improve vehicle stability under high wind conditions. This quarterly report documents technical progress on the project tasks for the period of January through March 2011.« less

TerraFERMA: Harnessing Advanced Computational Libraries in Earth Science

NASA Astrophysics Data System (ADS)

Wilson, C. R.; Spiegelman, M.; van Keken, P.

2012-12-01

Many important problems in Earth sciences can be described by non-linear coupled systems of partial differential equations. These "multi-physics" problems include thermo-chemical convection in Earth and planetary interiors, interactions of fluids and magmas with the Earth's mantle and crust and coupled flow of water and ice. These problems are of interest to a large community of researchers but are complicated to model and understand. Much of this complexity stems from the nature of multi-physics where small changes in the coupling between variables or constitutive relations can lead to radical changes in behavior, which in turn affect critical computational choices such as discretizations, solvers and preconditioners. To make progress in understanding such coupled systems requires a computational framework where multi-physics problems can be described at a high-level while maintaining the flexibility to easily modify the solution algorithm. Fortunately, recent advances in computational science provide a basis for implementing such a framework. Here we present the Transparent Finite Element Rapid Model Assembler (TerraFERMA), which leverages several advanced open-source libraries for core functionality. FEniCS (fenicsproject.org) provides a high level language for describing the weak forms of coupled systems of equations, and an automatic code generator that produces finite element assembly code. PETSc (www.mcs.anl.gov/petsc) provides a wide range of scalable linear and non-linear solvers that can be composed into effective multi-physics preconditioners. SPuD (amcg.ese.ic.ac.uk/Spud) is an application neutral options system that provides both human and machine-readable interfaces based on a single xml schema. Our software integrates these libraries and provides the user with a framework for exploring multi-physics problems. A single options file fully describes the problem, including all equations, coefficients and solver options. Custom compiled applications are generated from this file but share an infrastructure for services common to all models, e.g. diagnostics, checkpointing and global non-linear convergence monitoring. This maximizes code reusability, reliability and longevity ensuring that scientific results and the methods used to acquire them are transparent and reproducible. TerraFERMA has been tested against many published geodynamic benchmarks including 2D/3D thermal convection problems, the subduction zone benchmarks and benchmarks for magmatic solitary waves. It is currently being used in the investigation of reactive cracking phenomena with applications to carbon sequestration, but we will principally discuss its use in modeling the migration of fluids in subduction zones. Subduction zones require an understanding of the highly nonlinear interactions of fluids with solids and thus provide an excellent scientific driver for the development of multi-physics software.

Multiscale Concrete Modeling of Aging Degradation

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

Hammi, Yousseff; Gullett, Philipp; Horstemeyer, Mark F.

In this work a numerical finite element framework is implemented to enable the integration of coupled multiscale and multiphysics transport processes. A User Element subroutine (UEL) in Abaqus is used to simultaneously solve stress equilibrium, heat conduction, and multiple diffusion equations for 2D and 3D linear and quadratic elements. Transport processes in concrete structures and their degradation mechanisms are presented along with the discretization of the governing equations. The multiphysics modeling framework is theoretically extended to the linear elastic fracture mechanics (LEFM) by introducing the eXtended Finite Element Method (XFEM) and based on the XFEM user element implementation of Ginermore » et al. [2009]. A damage model that takes into account the damage contribution from the different degradation mechanisms is theoretically developed. The total contribution of damage is forwarded to a Multi-Stage Fatigue (MSF) model to enable the assessment of the fatigue life and the deterioration of reinforced concrete structures in a nuclear power plant. Finally, two examples are presented to illustrate the developed multiphysics user element implementation and the XFEM implementation of Giner et al. [2009].« less

3D multiphysics modeling of superconducting cavities with a massively parallel simulation suite

DOE PAGES

Kononenko, Oleksiy; Adolphsen, Chris; Li, Zenghai; ...

2017-10-10

Radiofrequency cavities based on superconducting technology are widely used in particle accelerators for various applications. The cavities usually have high quality factors and hence narrow bandwidths, so the field stability is sensitive to detuning from the Lorentz force and external loads, including vibrations and helium pressure variations. If not properly controlled, the detuning can result in a serious performance degradation of a superconducting accelerator, so an understanding of the underlying detuning mechanisms can be very helpful. Recent advances in the simulation suite ace3p have enabled realistic multiphysics characterization of such complex accelerator systems on supercomputers. In this paper, we presentmore » the new capabilities in ace3p for large-scale 3D multiphysics modeling of superconducting cavities, in particular, a parallel eigensolver for determining mechanical resonances, a parallel harmonic response solver to calculate the response of a cavity to external vibrations, and a numerical procedure to decompose mechanical loads, such as from the Lorentz force or piezoactuators, into the corresponding mechanical modes. These capabilities have been used to do an extensive rf-mechanical analysis of dressed TESLA-type superconducting cavities. Furthermore, the simulation results and their implications for the operational stability of the Linac Coherent Light Source-II are discussed.« less

3D multiphysics modeling of superconducting cavities with a massively parallel simulation suite

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

Kononenko, Oleksiy; Adolphsen, Chris; Li, Zenghai

Radiofrequency cavities based on superconducting technology are widely used in particle accelerators for various applications. The cavities usually have high quality factors and hence narrow bandwidths, so the field stability is sensitive to detuning from the Lorentz force and external loads, including vibrations and helium pressure variations. If not properly controlled, the detuning can result in a serious performance degradation of a superconducting accelerator, so an understanding of the underlying detuning mechanisms can be very helpful. Recent advances in the simulation suite ace3p have enabled realistic multiphysics characterization of such complex accelerator systems on supercomputers. In this paper, we presentmore » the new capabilities in ace3p for large-scale 3D multiphysics modeling of superconducting cavities, in particular, a parallel eigensolver for determining mechanical resonances, a parallel harmonic response solver to calculate the response of a cavity to external vibrations, and a numerical procedure to decompose mechanical loads, such as from the Lorentz force or piezoactuators, into the corresponding mechanical modes. These capabilities have been used to do an extensive rf-mechanical analysis of dressed TESLA-type superconducting cavities. Furthermore, the simulation results and their implications for the operational stability of the Linac Coherent Light Source-II are discussed.« less

Analysis of Material Sample Heated by Impinging Hot Hydrogen Jet in a Non-Nuclear Tester

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Foote, John; Litchford, Ron

2006-01-01

A computational conjugate heat transfer methodology was developed and anchored with data obtained from a hot-hydrogen jet heated, non-nuclear materials tester, as a first step towards developing an efficient and accurate multiphysics, thermo-fluid computational methodology to predict environments for hypothetical solid-core, nuclear thermal engine thrust chamber. The computational methodology is based on a multidimensional, finite-volume, turbulent, chemically reacting, thermally radiating, unstructured-grid, and pressure-based formulation. The multiphysics invoked in this study include hydrogen dissociation kinetics and thermodynamics, turbulent flow, convective and thermal radiative, and conjugate heat transfers. Predicted hot hydrogen jet and material surface temperatures were compared with those of measurement. Predicted solid temperatures were compared with those obtained with a standard heat transfer code. The interrogation of physics revealed that reactions of hydrogen dissociation and recombination are highly correlated with local temperature and are necessary for accurate prediction of the hot-hydrogen jet temperature.

Wide-Field Imaging System and Rapid Direction of Optical Zoom (WOZ)

DTIC Science & Technology

2011-03-25

COMSOL Multiphysics, and ZEMAX optical design. The multiphysics design tool is nearing completion. We have demonstrated the ability to create a model in...and mechanical modeling to calculate the deformation resulting from the applied voltages. Finally, the deformed surface can be exported to ZEMAX via...MatLab. From ZEMAX , various analyses can be conducted to determine important parameters such as focal point, aberrations, and wavefront distortion

An Anisotropic Multiphysics Model for Intervertebral Disk

PubMed Central

Gao, Xin; Zhu, Qiaoqiao; Gu, Weiyong

2016-01-01

Intervertebral disk (IVD) is the largest avascular structure in human body, consisting of three types of charged hydrated soft tissues. Its mechanical behavior is nonlinear and anisotropic, due mainly to nonlinear interactions among different constituents within tissues. In this study, a more realistic anisotropic multiphysics model was developed based on the continuum mixture theory and employed to characterize the couplings of multiple physical fields in the IVD. Numerical simulations demonstrate that this model is capable of systematically predicting the mechanical and electrochemical signals within the disk under various loading conditions, which is essential in understanding the mechanobiology of IVD. PMID:27099402

Multiphysics processes in partially saturated fractured rock: Experiments and models from Yucca Mountain

NASA Astrophysics Data System (ADS)

Rutqvist, Jonny; Tsang, Chin-Fu

2012-09-01

The site investigations at Yucca Mountain, Nevada, have provided us with an outstanding data set, one that has significantly advanced our knowledge of multiphysics processes in partially saturated fractured geological media. Such advancement was made possible, foremost, by substantial investments in multiyear field experiments that enabled the study of thermally driven multiphysics and testing of numerical models at a large spatial scale. The development of coupled-process models within the project have resulted in a number of new, advanced multiphysics numerical models that are today applied over a wide range of geoscientific research and geoengineering applications. Using such models, the potential impact of thermal-hydrological-mechanical (THM) multiphysics processes over the long-term (e.g., 10,000 years) could be predicted and bounded with some degree of confidence. The fact that the rock mass at Yucca Mountain is intensively fractured enabled continuum models to be used, although discontinuum models were also applied and are better suited for analyzing some issues, especially those related to predictions of rockfall within open excavations. The work showed that in situ tests (rather than small-scale laboratory experiments alone) are essential for determining appropriate input parameters for multiphysics models of fractured rocks, especially related to parameters defining how permeability might evolve under changing stress and temperature. A significant laboratory test program at Yucca Mountain also made important contributions to the field of rock mechanics, showing a unique relation between porosity and mechanical properties, a time dependency of strength that is significant for long-term excavation stability, a decreasing rock strength with sample size using very large core experiments, and a strong temperature dependency of the thermal expansion coefficient for temperatures up to 200°C. The analysis of in situ heater experiments showed that fracture closure/opening caused by changes in normal stress across fractures was the dominant mechanism for thermally induced changes in intrinsic fracture permeability during rock mass heating/cooling and that fracture shear dilation appears to be less significant. Significant effort was devoted to predicting the long-term stability of underground excavations under (mechanical) strength degradation and seismic loading, perhaps one of the most challenging tasks within the project. We note that such long-term strength degradation is actually an example of a chemically mediated process governed by underlying (microscopic) stress corrosion and chemical diffusion processes. In the Yucca Mountain Project, such chemically mediated mechanical changes were considered implicitly through model calibrations against laboratory and in situ heater experiments at temperatures anticipated to be experienced by the rock. A possible future research direction would be to simulate such processes mechanistically in a complete coupled THMC framework where C denotes chemical processes.

Advanced graphical user interface for multi-physics simulations using AMST

NASA Astrophysics Data System (ADS)

Hoffmann, Florian; Vogel, Frank

2017-07-01

Numerical modelling of particulate matter has gained much popularity in recent decades. Advanced Multi-physics Simulation Technology (AMST) is a state-of-the-art three dimensional numerical modelling technique combining the eX-tended Discrete Element Method (XDEM) with Computational Fluid Dynamics (CFD) and Finite Element Analysis (FEA) [1]. One major limitation of this code is the lack of a graphical user interface (GUI) meaning that all pre-processing has to be made directly in a HDF5-file. This contribution presents the first graphical pre-processor developed for AMST.

PRELIMINARY COUPLING OF THE MONTE CARLO CODE OPENMC AND THE MULTIPHYSICS OBJECT-ORIENTED SIMULATION ENVIRONMENT (MOOSE) FOR ANALYZING DOPPLER FEEDBACK IN MONTE CARLO SIMULATIONS

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

Matthew Ellis; Derek Gaston; Benoit Forget

In recent years the use of Monte Carlo methods for modeling reactors has become feasible due to the increasing availability of massively parallel computer systems. One of the primary challenges yet to be fully resolved, however, is the efficient and accurate inclusion of multiphysics feedback in Monte Carlo simulations. The research in this paper presents a preliminary coupling of the open source Monte Carlo code OpenMC with the open source Multiphysics Object-Oriented Simulation Environment (MOOSE). The coupling of OpenMC and MOOSE will be used to investigate efficient and accurate numerical methods needed to include multiphysics feedback in Monte Carlo codes.more » An investigation into the sensitivity of Doppler feedback to fuel temperature approximations using a two dimensional 17x17 PWR fuel assembly is presented in this paper. The results show a functioning multiphysics coupling between OpenMC and MOOSE. The coupling utilizes Functional Expansion Tallies to accurately and efficiently transfer pin power distributions tallied in OpenMC to unstructured finite element meshes used in MOOSE. The two dimensional PWR fuel assembly case also demonstrates that for a simplified model the pin-by-pin doppler feedback can be adequately replicated by scaling a representative pin based on pin relative powers.« less

Interface COMSOL-PHREEQC (iCP), an efficient numerical framework for the solution of coupled multiphysics and geochemistry

NASA Astrophysics Data System (ADS)

Nardi, Albert; Idiart, Andrés; Trinchero, Paolo; de Vries, Luis Manuel; Molinero, Jorge

2014-08-01

This paper presents the development, verification and application of an efficient interface, denoted as iCP, which couples two standalone simulation programs: the general purpose Finite Element framework COMSOL Multiphysics® and the geochemical simulator PHREEQC. The main goal of the interface is to maximize the synergies between the aforementioned codes, providing a numerical platform that can efficiently simulate a wide number of multiphysics problems coupled with geochemistry. iCP is written in Java and uses the IPhreeqc C++ dynamic library and the COMSOL Java-API. Given the large computational requirements of the aforementioned coupled models, special emphasis has been placed on numerical robustness and efficiency. To this end, the geochemical reactions are solved in parallel by balancing the computational load over multiple threads. First, a benchmark exercise is used to test the reliability of iCP regarding flow and reactive transport. Then, a large scale thermo-hydro-chemical (THC) problem is solved to show the code capabilities. The results of the verification exercise are successfully compared with those obtained using PHREEQC and the application case demonstrates the scalability of a large scale model, at least up to 32 threads.

A novel phenomenological multi-physics model of Li-ion battery cells

NASA Astrophysics Data System (ADS)

Oh, Ki-Yong; Samad, Nassim A.; Kim, Youngki; Siegel, Jason B.; Stefanopoulou, Anna G.; Epureanu, Bogdan I.

2016-09-01

A novel phenomenological multi-physics model of Lithium-ion battery cells is developed for control and state estimation purposes. The model can capture electrical, thermal, and mechanical behaviors of battery cells under constrained conditions, e.g., battery pack conditions. Specifically, the proposed model predicts the core and surface temperatures and reaction force induced from the volume change of battery cells because of electrochemically- and thermally-induced swelling. Moreover, the model incorporates the influences of changes in preload and ambient temperature on the force considering severe environmental conditions electrified vehicles face. Intensive experimental validation demonstrates that the proposed multi-physics model accurately predicts the surface temperature and reaction force for a wide operational range of preload and ambient temperature. This high fidelity model can be useful for more accurate and robust state of charge estimation considering the complex dynamic behaviors of the battery cell. Furthermore, the inherent simplicity of the mechanical measurements offers distinct advantages to improve the existing power and thermal management strategies for battery management.

Computational mechanics research and support for aerodynamics and hydraulics at TFHRC year 1 quarter 4 progress report.

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

Lottes, S.A.; Kulak, R.F.; Bojanowski, C.

2011-12-09

The computational fluid dynamics (CFD) and computational structural mechanics (CSM) focus areas at Argonne's Transportation Research and Analysis Computing Center (TRACC) initiated a project to support and compliment the experimental programs at the Turner-Fairbank Highway Research Center (TFHRC) with high performance computing based analysis capabilities in August 2010. The project was established with a new interagency agreement between the Department of Energy and the Department of Transportation to provide collaborative research, development, and benchmarking of advanced three-dimensional computational mechanics analysis methods to the aerodynamics and hydraulics laboratories at TFHRC for a period of five years, beginning in October 2010. Themore » analysis methods employ well-benchmarked and supported commercial computational mechanics software. Computational mechanics encompasses the areas of Computational Fluid Dynamics (CFD), Computational Wind Engineering (CWE), Computational Structural Mechanics (CSM), and Computational Multiphysics Mechanics (CMM) applied in Fluid-Structure Interaction (FSI) problems. The major areas of focus of the project are wind and water effects on bridges - superstructure, deck, cables, and substructure (including soil), primarily during storms and flood events - and the risks that these loads pose to structural failure. For flood events at bridges, another major focus of the work is assessment of the risk to bridges caused by scour of stream and riverbed material away from the foundations of a bridge. Other areas of current research include modeling of flow through culverts to assess them for fish passage, modeling of the salt spray transport into bridge girders to address suitability of using weathering steel in bridges, CFD analysis of the operation of the wind tunnel in the TFCHR wind engineering laboratory, vehicle stability under high wind loading, and the use of electromagnetic shock absorbers to improve vehicle stability under high wind conditions. This quarterly report documents technical progress on the project tasks for the period of July through September 2011.« less

A Multi-physics Approach to Understanding Low Porosity Soils and Reservoir Rocks

NASA Astrophysics Data System (ADS)

Prasad, M.; Mapeli, C.; Livo, K.; Hasanov, A.; Schindler, M.; Ou, L.

2017-12-01

We present recent results on our multiphysics approach to rock physics. Thus, we evaluate geophysical measurements by simultaneously measuring petrophysical properties or imaging strains. In this paper, we present simultaneously measured acoustic and electrical anisotropy data as functions of pressure. Similarly, we present strains and strain localization images simultaneously acquired with acoustic measurements as well as NMR T2 relaxations on pressurized fluids as well as rocks saturated with these pressurized fluids. Such multiphysics experiments allow us to constrain and assign appropriate causative mechanisms to development rock physics models. They also allow us to decouple various effects, for example, fluid versus pressure, on geophysical measurements. We show applications towards reservoir characterization as well as CO2 sequestration applications.

Multiscale modeling and computation of optically manipulated nano devices

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

Bao, Gang, E-mail: baog@zju.edu.cn; Liu, Di, E-mail: richardl@math.msu.edu; Luo, Songting, E-mail: luos@iastate.edu

2016-07-01

We present a multiscale modeling and computational scheme for optical-mechanical responses of nanostructures. The multi-physical nature of the problem is a result of the interaction between the electromagnetic (EM) field, the molecular motion, and the electronic excitation. To balance accuracy and complexity, we adopt the semi-classical approach that the EM field is described classically by the Maxwell equations, and the charged particles follow the Schrödinger equations quantum mechanically. To overcome the numerical challenge of solving the high dimensional multi-component many-body Schrödinger equations, we further simplify the model with the Ehrenfest molecular dynamics to determine the motion of the nuclei, andmore » use the Time-Dependent Current Density Functional Theory (TD-CDFT) to calculate the excitation of the electrons. This leads to a system of coupled equations that computes the electromagnetic field, the nuclear positions, and the electronic current and charge densities simultaneously. In the regime of linear responses, the resonant frequencies initiating the out-of-equilibrium optical-mechanical responses can be formulated as an eigenvalue problem. A self-consistent multiscale method is designed to deal with the well separated space scales. The isomerization of azobenzene is presented as a numerical example.« less

Episodic Tremor and Slip (ETS) as a chaotic multiphysics spring

NASA Astrophysics Data System (ADS)

Veveakis, E.; Alevizos, S.; Poulet, T.

2017-03-01

Episodic Tremor and Slip (ETS) events display a rich behaviour of slow and accelerated slip with simple oscillatory to complicated chaotic time series. It is commonly believed that the fast events appearing as non volcanic tremors are signatures of deep fluid injection. The fluid source is suggested to be related to the breakdown of hydrous phyllosilicates, mainly the serpentinite group minerals such as antigorite or lizardite that are widespread in the top of the slab in subduction environments. Similar ETS sequences are recorded in different lithologies in exhumed crustal carbonate-rich thrusts where the fluid source is suggested to be the more vigorous carbonate decomposition reaction. If indeed both types of events can be understood and modelled by the same generic fluid release reaction AB(solid) ⇌A(solid) +B(fluid) , the data from ETS sequences in subduction zones reveal a geophysically tractable temporal evolution with no access to the fault zone. This work reviews recent advances in modelling ETS events considering the multiphysics instabilities triggered by the fluid release reaction and develops a thermal-hydraulic-mechanical-chemical oscillator (THMC spring) model for such mineral reactions (like dehydration and decomposition) in Megathrusts. We describe advanced computational methods for THMC instabilities and discuss spectral element and finite element solutions. We apply the presented numerical methods to field examples of this important mechanism and reproduce the temporal signature of the Cascadia and Hikurangi trench with a serpentinite oscillator.

TerraFERMA: The Transparent Finite Element Rapid Model Assembler for multiphysics problems in Earth sciences

NASA Astrophysics Data System (ADS)

Wilson, Cian R.; Spiegelman, Marc; van Keken, Peter E.

2017-02-01

We introduce and describe a new software infrastructure TerraFERMA, the Transparent Finite Element Rapid Model Assembler, for the rapid and reproducible description and solution of coupled multiphysics problems. The design of TerraFERMA is driven by two computational needs in Earth sciences. The first is the need for increased flexibility in both problem description and solution strategies for coupled problems where small changes in model assumptions can lead to dramatic changes in physical behavior. The second is the need for software and models that are more transparent so that results can be verified, reproduced, and modified in a manner such that the best ideas in computation and Earth science can be more easily shared and reused. TerraFERMA leverages three advanced open-source libraries for scientific computation that provide high-level problem description (FEniCS), composable solvers for coupled multiphysics problems (PETSc), and an options handling system (SPuD) that allows the hierarchical management of all model options. TerraFERMA integrates these libraries into an interface that organizes the scientific and computational choices required in a model into a single options file from which a custom compiled application is generated and run. Because all models share the same infrastructure, models become more reusable and reproducible, while still permitting the individual researcher considerable latitude in model construction. TerraFERMA solves partial differential equations using the finite element method. It is particularly well suited for nonlinear problems with complex coupling between components. TerraFERMA is open-source and available at http://terraferma.github.io, which includes links to documentation and example input files.

Computational Modeling of Arc-Slag Interaction in DC Furnaces

NASA Astrophysics Data System (ADS)

Reynolds, Quinn G.

2017-02-01

The plasma arc is central to the operation of the direct-current arc furnace, a unit operation commonly used in high-temperature processing of both primary ores and recycled metals. The arc is a high-velocity, high-temperature jet of ionized gas created and sustained by interactions among the thermal, momentum, and electromagnetic fields resulting from the passage of electric current. In addition to being the primary source of thermal energy, the arc jet also couples mechanically with the bath of molten process material within the furnace, causing substantial splashing and stirring in the region in which it impinges. The arc's interaction with the molten bath inside the furnace is studied through use of a multiphase, multiphysics computational magnetohydrodynamic model developed in the OpenFOAM® framework. Results from the computational solver are compared with empirical correlations that account for arc-slag interaction effects.

Progress on the Multiphysics Capabilities of the Parallel Electromagnetic ACE3P Simulation Suite

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

Kononenko, Oleksiy

2015-03-26

ACE3P is a 3D parallel simulation suite that is being developed at SLAC National Accelerator Laboratory. Effectively utilizing supercomputer resources, ACE3P has become a key tool for the coupled electromagnetic, thermal and mechanical research and design of particle accelerators. Based on the existing finite-element infrastructure, a massively parallel eigensolver is developed for modal analysis of mechanical structures. It complements a set of the multiphysics tools in ACE3P and, in particular, can be used for the comprehensive study of microphonics in accelerating cavities ensuring the operational reliability of a particle accelerator.

Multiphysics Analysis of Frequency Detuning in Superconducting RF Cavities for Proton Particle Accelerators

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

Awida, M. H.; Gonin, I.; Passarelli, D.

2016-01-22

Multiphysics analyses for superconducting cavities are essential in the course of cavity design to meet stringent requirements on cavity frequency detuning. Superconducting RF cavities are the core accelerating elements in modern particle accelerators whether it is proton or electron machine, as they offer extremely high quality factors thus reducing the RF losses per cavity. However, the superior quality factor comes with the challenge of controlling the resonance frequency of the cavity within few tens of hertz bandwidth. In this paper, we investigate how the multiphysics analysis plays a major role in proactively minimizing sources of frequency detuning, specifically; microphonics andmore » Lorentz Force Detuning (LFD) in the stage of RF design of the cavity and mechanical design of the niobium shell and the helium vessel.« less

ALEGRA-MHD Simulations for Magnetization of an Ellipsoidal Inclusion

DTIC Science & Technology

2017-08-01

diffusion has saturated. The simplicity of the interior solution lends itself well to verification of computational electromagnetic simulations...magnetic diffusion, permeability, computational electromagnetism , verification, magnetohydrodynamics 16. SECURITY CLASSIFICATION OF: 17. LIMITATION... electromagnetic phenomena including magnetohydrodynamics (MHD). This multiphysics capability is a key feature of ALEGRA and the result of many years of

Variational Integrators for Interconnected Lagrange-Dirac Systems

NASA Astrophysics Data System (ADS)

Parks, Helen; Leok, Melvin

2017-10-01

Interconnected systems are an important class of mathematical models, as they allow for the construction of complex, hierarchical, multiphysics, and multiscale models by the interconnection of simpler subsystems. Lagrange-Dirac mechanical systems provide a broad category of mathematical models that are closed under interconnection, and in this paper, we develop a framework for the interconnection of discrete Lagrange-Dirac mechanical systems, with a view toward constructing geometric structure-preserving discretizations of interconnected systems. This work builds on previous work on the interconnection of continuous Lagrange-Dirac systems (Jacobs and Yoshimura in J Geom Mech 6(1):67-98, 2014) and discrete Dirac variational integrators (Leok and Ohsawa in Found Comput Math 11(5), 529-562, 2011). We test our results by simulating some of the continuous examples given in Jacobs and Yoshimura (2014).

IMPETUS - Interactive MultiPhysics Environment for Unified Simulations.

PubMed

Ha, Vi Q; Lykotrafitis, George

2016-12-08

We introduce IMPETUS - Interactive MultiPhysics Environment for Unified Simulations, an object oriented, easy-to-use, high performance, C++ program for three-dimensional simulations of complex physical systems that can benefit a large variety of research areas, especially in cell mechanics. The program implements cross-communication between locally interacting particles and continuum models residing in the same physical space while a network facilitates long-range particle interactions. Message Passing Interface is used for inter-processor communication for all simulations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Effective scheme for partitioning covalent bonds in density-functional embedding theory: From molecules to extended covalent systems.

PubMed

Huang, Chen; Muñoz-García, Ana Belén; Pavone, Michele

2016-12-28

Density-functional embedding theory provides a general way to perform multi-physics quantum mechanics simulations of large-scale materials by dividing the total system's electron density into a cluster's density and its environment's density. It is then possible to compute the accurate local electronic structures and energetics of the embedded cluster with high-level methods, meanwhile retaining a low-level description of the environment. The prerequisite step in the density-functional embedding theory is the cluster definition. In covalent systems, cutting across the covalent bonds that connect the cluster and its environment leads to dangling bonds (unpaired electrons). These represent a major obstacle for the application of density-functional embedding theory to study extended covalent systems. In this work, we developed a simple scheme to define the cluster in covalent systems. Instead of cutting covalent bonds, we directly split the boundary atoms for maintaining the valency of the cluster. With this new covalent embedding scheme, we compute the dehydrogenation energies of several different molecules, as well as the binding energy of a cobalt atom on graphene. Well localized cluster densities are observed, which can facilitate the use of localized basis sets in high-level calculations. The results are found to converge faster with the embedding method than the other multi-physics approach ONIOM. This work paves the way to perform the density-functional embedding simulations of heterogeneous systems in which different types of chemical bonds are present.

Multiscale multiphysics and multidomain models—Flexibility and rigidity

PubMed Central

Xia, Kelin; Opron, Kristopher; Wei, Guo-Wei

2013-01-01

The emerging complexity of large macromolecules has led to challenges in their full scale theoretical description and computer simulation. Multiscale multiphysics and multidomain models have been introduced to reduce the number of degrees of freedom while maintaining modeling accuracy and achieving computational efficiency. A total energy functional is constructed to put energies for polar and nonpolar solvation, chemical potential, fluid flow, molecular mechanics, and elastic dynamics on an equal footing. The variational principle is utilized to derive coupled governing equations for the above mentioned multiphysical descriptions. Among these governing equations is the Poisson-Boltzmann equation which describes continuum electrostatics with atomic charges. The present work introduces the theory of continuum elasticity with atomic rigidity (CEWAR). The essence of CEWAR is to formulate the shear modulus as a continuous function of atomic rigidity. As a result, the dynamics complexity of a macromolecular system is separated from its static complexity so that the more time-consuming dynamics is handled with continuum elasticity theory, while the less time-consuming static analysis is pursued with atomic approaches. We propose a simple method, flexibility-rigidity index (FRI), to analyze macromolecular flexibility and rigidity in atomic detail. The construction of FRI relies on the fundamental assumption that protein functions, such as flexibility, rigidity, and energy, are entirely determined by the structure of the protein and its environment, although the structure is in turn determined by all the interactions. As such, the FRI measures the topological connectivity of protein atoms or residues and characterizes the geometric compactness of the protein structure. As a consequence, the FRI does not resort to the interaction Hamiltonian and bypasses matrix diagonalization, which underpins most other flexibility analysis methods. FRI's computational complexity is of \\documentclass[12pt]{minimal}\\begin{document}${\\cal O}(N^2)$\\end{document}O(N2) at most, where N is the number of atoms or residues, in contrast to \\documentclass[12pt]{minimal}\\begin{document}${\\cal O}(N^3)$\\end{document}O(N3) for Hamiltonian based methods. We demonstrate that the proposed FRI gives rise to accurate prediction of protein B-Factor for a set of 263 proteins. We show that a parameter free FRI is able to achieve about 95% accuracy of the parameter optimized FRI. An interpolation algorithm is developed to construct continuous atomic flexibility functions for visualization and use with CEWAR. PMID:24320318

Multiscale multiphysics and multidomain models—Flexibility and rigidity

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

Xia, Kelin; Opron, Kristopher; Wei, Guo-Wei, E-mail: wei@math.msu.edu

The emerging complexity of large macromolecules has led to challenges in their full scale theoretical description and computer simulation. Multiscale multiphysics and multidomain models have been introduced to reduce the number of degrees of freedom while maintaining modeling accuracy and achieving computational efficiency. A total energy functional is constructed to put energies for polar and nonpolar solvation, chemical potential, fluid flow, molecular mechanics, and elastic dynamics on an equal footing. The variational principle is utilized to derive coupled governing equations for the above mentioned multiphysical descriptions. Among these governing equations is the Poisson-Boltzmann equation which describes continuum electrostatics with atomicmore » charges. The present work introduces the theory of continuum elasticity with atomic rigidity (CEWAR). The essence of CEWAR is to formulate the shear modulus as a continuous function of atomic rigidity. As a result, the dynamics complexity of a macromolecular system is separated from its static complexity so that the more time-consuming dynamics is handled with continuum elasticity theory, while the less time-consuming static analysis is pursued with atomic approaches. We propose a simple method, flexibility-rigidity index (FRI), to analyze macromolecular flexibility and rigidity in atomic detail. The construction of FRI relies on the fundamental assumption that protein functions, such as flexibility, rigidity, and energy, are entirely determined by the structure of the protein and its environment, although the structure is in turn determined by all the interactions. As such, the FRI measures the topological connectivity of protein atoms or residues and characterizes the geometric compactness of the protein structure. As a consequence, the FRI does not resort to the interaction Hamiltonian and bypasses matrix diagonalization, which underpins most other flexibility analysis methods. FRI's computational complexity is of O(N{sup 2}) at most, where N is the number of atoms or residues, in contrast to O(N{sup 3}) for Hamiltonian based methods. We demonstrate that the proposed FRI gives rise to accurate prediction of protein B-Factor for a set of 263 proteins. We show that a parameter free FRI is able to achieve about 95% accuracy of the parameter optimized FRI. An interpolation algorithm is developed to construct continuous atomic flexibility functions for visualization and use with CEWAR.« less

Two-Step Multi-Physics Analysis of an Annular Linear Induction Pump for Fission Power Systems

NASA Technical Reports Server (NTRS)

Geng, Steven M.; Reid, Terry V.

2016-01-01

One of the key technologies associated with fission power systems (FPS) is the annular linear induction pump (ALIP). ALIPs are used to circulate liquid-metal fluid for transporting thermal energy from the nuclear reactor to the power conversion device. ALIPs designed and built to date for FPS project applications have not performed up to expectations. A unique, two-step approach was taken toward the multi-physics examination of an ALIP using ANSYS Maxwell 3D and Fluent. This multi-physics approach was developed so that engineers could investigate design variations that might improve pump performance. Of interest was to determine if simple geometric modifications could be made to the ALIP components with the goal of increasing the Lorentz forces acting on the liquid-metal fluid, which in turn would increase pumping capacity. The multi-physics model first calculates the Lorentz forces acting on the liquid metal fluid in the ALIP annulus. These forces are then used in a computational fluid dynamics simulation as (a) internal boundary conditions and (b) source functions in the momentum equations within the Navier-Stokes equations. The end result of the two-step analysis is a predicted pump pressure rise that can be compared with experimental data.

Mechanical behavior simulation of MEMS-based cantilever beam using COMSOL multiphysics

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

Acheli, A., E-mail: aacheli@cdta.dz; Serhane, R.

This paper presents the studies of mechanical behavior of MEMS cantilever beam made of poly-silicon material, using the coupling of three application modes (plane strain, electrostatics and the moving mesh) of COMSOL Multi-physics software. The cantilevers playing a key role in Micro Electro-Mechanical Systems (MEMS) devices (switches, resonators, etc) working under potential shock. This is why they require actuation under predetermined conditions, such as electrostatic force or inertial force. In this paper, we present mechanical behavior of a cantilever actuated by an electrostatic force. In addition to the simplification of calculations, the weight of the cantilever was not taken intomore » account. Different parameters like beam displacement, electrostatics force and stress over the beam have been calculated by finite element method after having defining the geometry, the material of the cantilever model (fixed at one of ends but is free to move otherwise) and his operational space.« less

Transient multi-physics analysis of a magnetorheological shock absorber with the inverse Jiles-Atherton hysteresis model

NASA Astrophysics Data System (ADS)

Zheng, Jiajia; Li, Yancheng; Li, Zhaochun; Wang, Jiong

2015-10-01

This paper presents multi-physics modeling of an MR absorber considering the magnetic hysteresis to capture the nonlinear relationship between the applied current and the generated force under impact loading. The magnetic field, temperature field, and fluid dynamics are represented by the Maxwell equations, conjugate heat transfer equations, and Navier-Stokes equations. These fields are coupled through the apparent viscosity and the magnetic force, both of which in turn depend on the magnetic flux density and the temperature. Based on a parametric study, an inverse Jiles-Atherton hysteresis model is used and implemented for the magnetic field simulation. The temperature rise of the MR fluid in the annular gap caused by core loss (i.e. eddy current loss and hysteresis loss) and fluid motion is computed to investigate the current-force behavior. A group of impulsive tests was performed for the manufactured MR absorber with step exciting currents. The numerical and experimental results showed good agreement, which validates the effectiveness of the proposed multi-physics FEA model.

Advanced laser modeling with BLAZE multiphysics

NASA Astrophysics Data System (ADS)

Palla, Andrew D.; Carroll, David L.; Gray, Michael I.; Suzuki, Lui

2017-01-01

The BLAZE Multiphysics™ software simulation suite was specifically developed to model highly complex multiphysical systems in a computationally efficient and highly scalable manner. These capabilities are of particular use when applied to the complexities associated with high energy laser systems that combine subsonic/transonic/supersonic fluid dynamics, chemically reacting flows, laser electronics, heat transfer, optical physics, and in some cases plasma discharges. In this paper we present detailed cw and pulsed gas laser calculations using the BLAZE model with comparisons to data. Simulations of DPAL, XPAL, ElectricOIL (EOIL), and the optically pumped rare gas laser were found to be in good agreement with experimental data.

Multi-scale and multi-physics model of the uterine smooth muscle with mechanotransduction.

PubMed

Yochum, Maxime; Laforêt, Jérémy; Marque, Catherine

2018-02-01

Preterm labor is an important public health problem. However, the efficiency of the uterine muscle during labor is complex and still poorly understood. This work is a first step towards a model of the uterine muscle, including its electrical and mechanical components, to reach a better understanding of the uterus synchronization. This model is proposed to investigate, by simulation, the possible role of mechanotransduction for the global synchronization of the uterus. The electrical diffusion indeed explains the local propagation of contractile activity, while the tissue stretching may play a role in the synchronization of distant parts of the uterine muscle. This work proposes a multi-physics (electrical, mechanical) and multi-scales (cell, tissue, whole uterus) model, which is applied to a realistic uterus 3D mesh. This model includes electrical components at different scales: generation of action potentials at the cell level, electrical diffusion at the tissue level. It then links these electrical events to the mechanical behavior, at the cellular level (via the intracellular calcium concentration), by simulating the force generated by each active cell. It thus computes an estimation of the intra uterine pressure (IUP) by integrating the forces generated by each active cell at the whole uterine level, as well as the stretching of the tissue (by using a viscoelastic law for the behavior of the tissue). It finally includes at the cellular level stretch activated channels (SACs) that permit to create a loop between the mechanical and the electrical behavior (mechanotransduction). The simulation of different activated regions of the uterus, which in this first "proof of concept" case are electrically isolated, permits the activation of inactive regions through the stretching (induced by the electrically active regions) computed at the whole organ scale. This permits us to evidence the role of the mechanotransduction in the global synchronization of the uterus. The results also permit us to evidence the effect on IUP of this enhanced synchronization induced by the presence of SACs. This proposed simplified model will be further improved in order to permit a better understanding of the global uterine synchronization occurring during efficient labor contractions. Copyright © 2017 Elsevier Ltd. All rights reserved.

Multi-Physics MRI-Based Two-Layer Fluid-Structure Interaction Anisotropic Models of Human Right and Left Ventricles with Different Patch Materials: Cardiac Function Assessment and Mechanical Stress Analysis

PubMed Central

Tang, Dalin; Yang, Chun; Geva, Tal; Gaudette, Glenn; del Nido, Pedro J.

2011-01-01

Multi-physics right and left ventricle (RV/LV) fluid-structure interaction (FSI) models were introduced to perform mechanical stress analysis and evaluate the effect of patch materials on RV function. The FSI models included three different patch materials (Dacron scaffold, treated pericardium, and contracting myocardium), two-layer construction, fiber orientation, and active anisotropic material properties. The models were constructed based on cardiac magnetic resonance (CMR) images acquired from a patient with severe RV dilatation and solved by ADINA. Our results indicate that the patch model with contracting myocardium leads to decreased stress level in the patch area, improved RV function and patch area contractility. PMID:21765559

Computational simulation of biomolecules transport with multi-physics near microchannel surface for development of biomolecules-detection devices.

PubMed

Suzuki, Yuma; Shimizu, Tetsuhide; Yang, Ming

2017-01-01

The quantitative evaluation of the biomolecules transport with multi-physics in nano/micro scale is demanded in order to optimize the design of microfluidics device for the biomolecules detection with high detection sensitivity and rapid diagnosis. This paper aimed to investigate the effectivity of the computational simulation using the numerical model of the biomolecules transport with multi-physics near a microchannel surface on the development of biomolecules-detection devices. The biomolecules transport with fluid drag force, electric double layer (EDL) force, and van der Waals force was modeled by Newtonian Equation of motion. The model validity was verified in the influence of ion strength and flow velocity on biomolecules distribution near the surface compared with experimental results of previous studies. The influence of acting forces on its distribution near the surface was investigated by the simulation. The trend of its distribution to ion strength and flow velocity was agreement with the experimental result by the combination of all acting forces. Furthermore, EDL force dominantly influenced its distribution near its surface compared with fluid drag force except for the case of high velocity and low ion strength. The knowledges from the simulation might be useful for the design of biomolecules-detection devices and the simulation can be expected to be applied on its development as the design tool for high detection sensitivity and rapid diagnosis in the future.

Dry calibration of electromagnetic flowmeters based on numerical models combining multiple physical phenomena (multiphysics)

NASA Astrophysics Data System (ADS)

Fu, X.; Hu, L.; Lee, K. M.; Zou, J.; Ruan, X. D.; Yang, H. Y.

2010-10-01

This paper presents a method for dry calibration of an electromagnetic flowmeter (EMF). This method, which determines the voltage induced in the EMF as conductive liquid flows through a magnetic field, numerically solves a coupled set of multiphysical equations with measured boundary conditions for the magnetic, electric, and flow fields in the measuring pipe of the flowmeter. Specifically, this paper details the formulation of dry calibration and an efficient algorithm (that adaptively minimizes the number of measurements and requires only the normal component of the magnetic flux density as boundary conditions on the pipe surface to reconstruct the magnetic field involved) for computing the sensitivity of EMF. Along with an in-depth discussion on factors that could significantly affect the final precision of a dry calibrated EMF, the effects of flow disturbance on measuring errors have been experimentally studied by installing a baffle at the inflow port of the EMF. Results of the dry calibration on an actual EMF were compared against flow-rig calibration; excellent agreements (within 0.3%) between dry calibration and flow-rig tests verify the multiphysical computation of the fields and the robustness of the method. As requiring no actual flow, the dry calibration is particularly useful for calibrating large-diameter EMFs where conventional flow-rig methods are often costly and difficult to implement.

Analysis of image formation in optical coherence elastography using a multiphysics approach

PubMed Central

Chin, Lixin; Curatolo, Andrea; Kennedy, Brendan F.; Doyle, Barry J.; Munro, Peter R. T.; McLaughlin, Robert A.; Sampson, David D.

2014-01-01

Image formation in optical coherence elastography (OCE) results from a combination of two processes: the mechanical deformation imparted to the sample and the detection of the resulting displacement using optical coherence tomography (OCT). We present a multiphysics model of these processes, validated by simulating strain elastograms acquired using phase-sensitive compression OCE, and demonstrating close correspondence with experimental results. Using the model, we present evidence that the approximation commonly used to infer sample displacement in phase-sensitive OCE is invalidated for smaller deformations than has been previously considered, significantly affecting the measurement precision, as quantified by the displacement sensitivity and the elastogram signal-to-noise ratio. We show how the precision of OCE is affected not only by OCT shot-noise, as is usually considered, but additionally by phase decorrelation due to the sample deformation. This multiphysics model provides a general framework that could be used to compare and contrast different OCE techniques. PMID:25401007

Development of an Efficient CFD Model for Nuclear Thermal Thrust Chamber Assembly Design

NASA Technical Reports Server (NTRS)

Cheng, Gary; Ito, Yasushi; Ross, Doug; Chen, Yen-Sen; Wang, Ten-See

2007-01-01

The objective of this effort is to develop an efficient and accurate computational methodology to predict both detailed thermo-fluid environments and global characteristics of the internal ballistics for a hypothetical solid-core nuclear thermal thrust chamber assembly (NTTCA). Several numerical and multi-physics thermo-fluid models, such as real fluid, chemically reacting, turbulence, conjugate heat transfer, porosity, and power generation, were incorporated into an unstructured-grid, pressure-based computational fluid dynamics solver as the underlying computational methodology. The numerical simulations of detailed thermo-fluid environment of a single flow element provide a mechanism to estimate the thermal stress and possible occurrence of the mid-section corrosion of the solid core. In addition, the numerical results of the detailed simulation were employed to fine tune the porosity model mimic the pressure drop and thermal load of the coolant flow through a single flow element. The use of the tuned porosity model enables an efficient simulation of the entire NTTCA system, and evaluating its performance during the design cycle.

A Multiphysics and Multiscale Software Environment for Modeling Astrophysical Systems

NASA Astrophysics Data System (ADS)

Portegies Zwart, Simon; McMillan, Steve; O'Nualláin, Breanndán; Heggie, Douglas; Lombardi, James; Hut, Piet; Banerjee, Sambaran; Belkus, Houria; Fragos, Tassos; Fregeau, John; Fuji, Michiko; Gaburov, Evghenii; Glebbeek, Evert; Groen, Derek; Harfst, Stefan; Izzard, Rob; Jurić, Mario; Justham, Stephen; Teuben, Peter; van Bever, Joris; Yaron, Ofer; Zemp, Marcel

We present MUSE, a software framework for tying together existing computational tools for different astrophysical domains into a single multiphysics, multiscale workload. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly-coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for a generalized stellar systems workload. MUSE has now reached a "Noah's Ark" milestone, with two available numerical solvers for each domain. MUSE can treat small stellar associations, galaxies and everything in between, including planetary systems, dense stellar clusters and galactic nuclei. Here we demonstrate an examples calculated with MUSE: the merger of two galaxies. In addition we demonstrate the working of MUSE on a distributed computer. The current MUSE code base is publicly available as open source at http://muse.li.

Experimentally validated multiphysics computational model of focusing and shock wave formation in an electromagnetic lithotripter.

PubMed

Fovargue, Daniel E; Mitran, Sorin; Smith, Nathan B; Sankin, Georgy N; Simmons, Walter N; Zhong, Pei

2013-08-01

A multiphysics computational model of the focusing of an acoustic pulse and subsequent shock wave formation that occurs during extracorporeal shock wave lithotripsy is presented. In the electromagnetic lithotripter modeled in this work the focusing is achieved via a polystyrene acoustic lens. The transition of the acoustic pulse through the solid lens is modeled by the linear elasticity equations and the subsequent shock wave formation in water is modeled by the Euler equations with a Tait equation of state. Both sets of equations are solved simultaneously in subsets of a single computational domain within the BEARCLAW framework which uses a finite-volume Riemann solver approach. This model is first validated against experimental measurements with a standard (or original) lens design. The model is then used to successfully predict the effects of a lens modification in the form of an annular ring cut. A second model which includes a kidney stone simulant in the domain is also presented. Within the stone the linear elasticity equations incorporate a simple damage model.

Experimentally validated multiphysics computational model of focusing and shock wave formation in an electromagnetic lithotripter

PubMed Central

Fovargue, Daniel E.; Mitran, Sorin; Smith, Nathan B.; Sankin, Georgy N.; Simmons, Walter N.; Zhong, Pei

2013-01-01

A multiphysics computational model of the focusing of an acoustic pulse and subsequent shock wave formation that occurs during extracorporeal shock wave lithotripsy is presented. In the electromagnetic lithotripter modeled in this work the focusing is achieved via a polystyrene acoustic lens. The transition of the acoustic pulse through the solid lens is modeled by the linear elasticity equations and the subsequent shock wave formation in water is modeled by the Euler equations with a Tait equation of state. Both sets of equations are solved simultaneously in subsets of a single computational domain within the BEARCLAW framework which uses a finite-volume Riemann solver approach. This model is first validated against experimental measurements with a standard (or original) lens design. The model is then used to successfully predict the effects of a lens modification in the form of an annular ring cut. A second model which includes a kidney stone simulant in the domain is also presented. Within the stone the linear elasticity equations incorporate a simple damage model. PMID:23927200

Multiphysics Object-Oriented Simulation Environment (MOOSE)

ScienceCinema

None

2017-12-09

Nuclear reactor operators can expand safety margins with more precise information about how materials behave inside operating reactors. INL's new simulation platform makes such studies easier & more informative by letting researchers "plug-n-play" their mathematical models, skipping years of computer code development.

Multiphysics control of a two-fluid coaxial atomizer supported by electric-charge on the liquid jet

NASA Astrophysics Data System (ADS)

Machicoane, Nathanael; Osuna, Rodrigo; Aliseda, Alberto

2017-11-01

We present an experimental setup to investigate multiphysics control strategies on atomization of a laminar fluid stream by a coaxial turbulent jet. Spray control (i.e. driving the droplet size distribution and the spatio-temporal location of the droplets towards a desired objective) has many potential engineering applications, but requires a mechanistic understanding of the processes that control droplet formation and transport (primary and secondary instabilities, turbulent transport, hydrodynamic and electric forces on the droplets, ...). We characterize experimentally the break-up dynamics in a canonical coaxial atomizer, and the spray structure (droplet size, location, and velocity as a function of time) in a series of open loop conditions with harmonic forcing of the gas swirl ratio, liquid injection rate, the electric field strength at the nozzle and along the spray development region. The effect of these actuators are characterized for different gas Reynolds numbers ranging from 104-106. This open-loop characterization of the injector will be used to develop reduced order models for feedback control, as well as to validate assumptions underlying an adjoint-based computational control strategy. This work is part of a large-scale project funded by an ONR MURI to provide fundamental understanding of the mechanisms for feedback control of sprays.

Validation Data and Model Development for Fuel Assembly Response to Seismic Loads

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

Bardet, Philippe; Ricciardi, Guillaume

2016-01-31

Vibrations are inherently present in nuclear reactors, especially in cores and steam generators of pressurized water reactors (PWR). They can have significant effects on local heat transfer and wear and tear in the reactor and often set safety margins. The simulation of these multiphysics phenomena from first principles requires the coupling of several codes, which is one the most challenging tasks in modern computer simulation. Here an ambitious multiphysics multidisciplinary validation campaign is conducted. It relied on an integrated team of experimentalists and code developers to acquire benchmark and validation data for fluid-structure interaction codes. Data are focused on PWRmore » fuel bundle behavior during seismic transients.« less

Multi-Physics Modelling of Fault Mechanics Using REDBACK: A Parallel Open-Source Simulator for Tightly Coupled Problems

NASA Astrophysics Data System (ADS)

Poulet, Thomas; Paesold, Martin; Veveakis, Manolis

2017-03-01

Faults play a major role in many economically and environmentally important geological systems, ranging from impermeable seals in petroleum reservoirs to fluid pathways in ore-forming hydrothermal systems. Their behavior is therefore widely studied and fault mechanics is particularly focused on the mechanisms explaining their transient evolution. Single faults can change in time from seals to open channels as they become seismically active and various models have recently been presented to explain the driving forces responsible for such transitions. A model of particular interest is the multi-physics oscillator of Alevizos et al. (J Geophys Res Solid Earth 119(6), 4558-4582, 2014) which extends the traditional rate and state friction approach to rate and temperature-dependent ductile rocks, and has been successfully applied to explain spatial features of exposed thrusts as well as temporal evolutions of current subduction zones. In this contribution we implement that model in REDBACK, a parallel open-source multi-physics simulator developed to solve such geological instabilities in three dimensions. The resolution of the underlying system of equations in a tightly coupled manner allows REDBACK to capture appropriately the various theoretical regimes of the system, including the periodic and non-periodic instabilities. REDBACK can then be used to simulate the drastic permeability evolution in time of such systems, where nominally impermeable faults can sporadically become fluid pathways, with permeability increases of several orders of magnitude.

Hemodynamics of the Aortic Jet and Implications for Detection of Aortic Stenosis Murmurs

NASA Astrophysics Data System (ADS)

Zhu, Chi; Seo, Junghee; Bakhshaee, Hani; Mittal, Rajat

2016-11-01

Cardiac auscultation with a stethoscope has served as the primary method for qualitative screening of cardiovascular conditions for over a hundred years. However, a lack of quantitative understanding of the flow mechanism(s) responsible for the generation of the murmurs, as well as the effect of intervening tissue on the propagation of these murmurs has been a significant limiting factor in the advancement of automated cardiac auscultation. In this study, a multiphysics computational modeling approach is used to investigate these issues. Direct numerical simulation (DNS) is used to explore the fluid dynamics of the jets formed at the aortic valve and the pressure fluctuations generated by the interaction of this jet with the aortic wall. Subsequently, structural wave propagation in the tissue is resolved by a high-order, linear viscoelastic wave solver in order to explore the propagation of the murmurs through a tissue-like material. The implications of these results for cardiac auscultation are discussed. The authors would like to acknowledge the financial support from NSF Grants IIS-1344772, CBET-1511200, and computational resource by XSEDE NSF Grant TG-CTS100002.

Dynamic Fracture Simulations of Explosively Loaded Cylinders

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

Arthur, Carly W.; Goto, D. M.

2015-11-30

This report documents the modeling results of high explosive experiments investigating dynamic fracture of steel (AerMet® 100 alloy) cylinders. The experiments were conducted at Lawrence Livermore National Laboratory (LLNL) during 2007 to 2008 [10]. A principal objective of this study was to gain an understanding of dynamic material failure through the analysis of hydrodynamic computer code simulations. Two-dimensional and three-dimensional computational cylinder models were analyzed using the ALE3D multi-physics computer code.

Exploring a Multiphysics Resolution Approach for Additive Manufacturing

NASA Astrophysics Data System (ADS)

Estupinan Donoso, Alvaro Antonio; Peters, Bernhard

2018-06-01

Metal additive manufacturing (AM) is a fast-evolving technology aiming to efficiently produce complex parts while saving resources. Worldwide, active research is being performed to solve the existing challenges of this growing technique. Constant computational advances have enabled multiscale and multiphysics numerical tools that complement the traditional physical experimentation. In this contribution, an advanced discrete-continuous concept is proposed to address the physical phenomena involved during laser powder bed fusion. The concept treats powder as discrete by the extended discrete element method, which predicts the thermodynamic state and phase change for each particle. The fluid surrounding is solved with multiphase computational fluid dynamics techniques to determine momentum, heat, gas and liquid transfer. Thus, results track the positions and thermochemical history of individual particles in conjunction with the prevailing fluid phases' temperature and composition. It is believed that this methodology can be employed to complement experimental research by analysis of the comprehensive results, which can be extracted from it to enable AM processes optimization for parts qualification.

Modeling of Casting Defects in an Integrated Computational Materials Engineering Approach

NASA Astrophysics Data System (ADS)

Sabau, Adrian S.

To accelerate the introduction of new cast alloys the modeling and simulation of multiphysical phenomena needs to be considered in the design and optimization of mechanical properties of cast components. The required models related to casting defects, such as microporosity and hot tears are reviewed. Three aluminum alloys are considered A356, 356 and 319. The data on calculated solidification shrinkage is presented and its effects on microporosity levels discussed. Examples are given for predicting microporosity defects and microstructure distribution for a plate casting. Models to predict fatigue life and yield stress are briefly highlighted here for the sake of completion and to illustrate how the length scales of the microstructure features as well as porosity defects are taken into account for modeling the mechanical properties. The data on casting defects including microstructure features, is crucial for evaluating the final performance-related properties of the component.

Keeping it Together: Advanced algorithms and software for magma dynamics (and other coupled multi-physics problems)

NASA Astrophysics Data System (ADS)

Spiegelman, M.; Wilson, C. R.

2011-12-01

A quantitative theory of magma production and transport is essential for understanding the dynamics of magmatic plate boundaries, intra-plate volcanism and the geochemical evolution of the planet. It also provides one of the most challenging computational problems in solid Earth science, as it requires consistent coupling of fluid and solid mechanics together with the thermodynamics of melting and reactive flows. Considerable work on these problems over the past two decades shows that small changes in assumptions of coupling (e.g. the relationship between melt fraction and solid rheology), can have profound changes on the behavior of these systems which in turn affects critical computational choices such as discretizations, solvers and preconditioners. To make progress in exploring and understanding this physically rich system requires a computational framework that allows more flexible, high-level description of multi-physics problems as well as increased flexibility in composing efficient algorithms for solution of the full non-linear coupled system. Fortunately, recent advances in available computational libraries and algorithms provide a platform for implementing such a framework. We present results from a new model building system that leverages functionality from both the FEniCS project (www.fenicsproject.org) and PETSc libraries (www.mcs.anl.gov/petsc) along with a model independent options system and gui, Spud (amcg.ese.ic.ac.uk/Spud). Key features from FEniCS include fully unstructured FEM with a wide range of elements; a high-level language (ufl) and code generation compiler (FFC) for describing the weak forms of residuals and automatic differentiation for calculation of exact and approximate jacobians. The overall strategy is to monitor/calculate residuals and jacobians for the entire non-linear system of equations within a global non-linear solve based on PETSc's SNES routines. PETSc already provides a wide range of solvers and preconditioners, from parallel sparse direct to algebraic multigrid, that can be chosen at runtime. In particular, we make extensive use of PETSc's FieldSplit block preconditioners that allow us to use optimal solvers for subproblems (such as Stokes, or advection/diffusion of temperature) as preconditioners for the full problem. Thus these routines let us reuse effective solving recipes/splittings from previous experience while monitoring the convergence of the global problem. These techniques often yield quadratic (Newton like) convergence for the work of standard Picard schemes. We will illustrate this new framework with examples from the Magma Dynamic Demonstration suite (MADDs) of well understood magma dynamics benchmark problems including stokes flow in ridge geometries, magmatic solitary waves and shear-driven melt bands. While development of this system has been driven by magma dynamics, this framework is much more general and can be used for a wide range of PDE based multi-physics models.

Multi-physics optimization of three-dimensional microvascular polymeric components

NASA Astrophysics Data System (ADS)

Aragón, Alejandro M.; Saksena, Rajat; Kozola, Brian D.; Geubelle, Philippe H.; Christensen, Kenneth T.; White, Scott R.

2013-01-01

This work discusses the computational design of microvascular polymeric materials, which aim at mimicking the behavior found in some living organisms that contain a vascular system. The optimization of the topology of the embedded three-dimensional microvascular network is carried out by coupling a multi-objective constrained genetic algorithm with a finite-element based physics solver, the latter validated through experiments. The optimization is carried out on multiple conflicting objective functions, namely the void volume fraction left by the network, the energy required to drive the fluid through the network and the maximum temperature when the material is subjected to thermal loads. The methodology presented in this work results in a viable alternative for the multi-physics optimization of these materials for active-cooling applications.

A novel medical image data-based multi-physics simulation platform for computational life sciences.

PubMed

Neufeld, Esra; Szczerba, Dominik; Chavannes, Nicolas; Kuster, Niels

2013-04-06

Simulating and modelling complex biological systems in computational life sciences requires specialized software tools that can perform medical image data-based modelling, jointly visualize the data and computational results, and handle large, complex, realistic and often noisy anatomical models. The required novel solvers must provide the power to model the physics, biology and physiology of living tissue within the full complexity of the human anatomy (e.g. neuronal activity, perfusion and ultrasound propagation). A multi-physics simulation platform satisfying these requirements has been developed for applications including device development and optimization, safety assessment, basic research, and treatment planning. This simulation platform consists of detailed, parametrized anatomical models, a segmentation and meshing tool, a wide range of solvers and optimizers, a framework for the rapid development of specialized and parallelized finite element method solvers, a visualization toolkit-based visualization engine, a Python scripting interface for customized applications, a coupling framework, and more. Core components are cross-platform compatible and use open formats. Several examples of applications are presented: hyperthermia cancer treatment planning, tumour growth modelling, evaluating the magneto-haemodynamic effect as a biomarker and physics-based morphing of anatomical models.

Toward GPGPU accelerated human electromechanical cardiac simulations

PubMed Central

Vigueras, Guillermo; Roy, Ishani; Cookson, Andrew; Lee, Jack; Smith, Nicolas; Nordsletten, David

2014-01-01

In this paper, we look at the acceleration of weakly coupled electromechanics using the graphics processing unit (GPU). Specifically, we port to the GPU a number of components of Heart—a CPU-based finite element code developed for simulating multi-physics problems. On the basis of a criterion of computational cost, we implemented on the GPU the ODE and PDE solution steps for the electrophysiology problem and the Jacobian and residual evaluation for the mechanics problem. Performance of the GPU implementation is then compared with single core CPU (SC) execution as well as multi-core CPU (MC) computations with equivalent theoretical performance. Results show that for a human scale left ventricle mesh, GPU acceleration of the electrophysiology problem provided speedups of 164 × compared with SC and 5.5 times compared with MC for the solution of the ODE model. Speedup of up to 72 × compared with SC and 2.6 × compared with MC was also observed for the PDE solve. Using the same human geometry, the GPU implementation of mechanics residual/Jacobian computation provided speedups of up to 44 × compared with SC and 2.0 × compared with MC. © 2013 The Authors. International Journal for Numerical Methods in Biomedical Engineering published by John Wiley & Sons, Ltd. PMID:24115492

An Undergraduate Course in Modeling and Simulation of Multiphysics Systems

ERIC Educational Resources Information Center

Ortiz-Rodriguez, Estanislao; Vazquez-Arenas, Jorge; Ricardez-Sandoval, Luis A.

2010-01-01

An overview of a course on modeling and simulation offered at the Nanotechnology Engineering undergraduate program at the University of Waterloo. The motivation for having this course in the undergraduate nanotechnology curriculum, the course structure, and its learning objectives are discussed. Further, one of the computational laboratories…

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

NASA Technical Reports Server (NTRS)

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

2017-01-01

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

Case studies on optimization problems in MATLAB and COMSOL multiphysics by means of the livelink

NASA Astrophysics Data System (ADS)

Ozana, Stepan; Pies, Martin; Docekal, Tomas

2016-06-01

LiveLink for COMSOL is a tool that integrates COMSOL Multiphysics with MATLAB to extend one's modeling with scripting programming in the MATLAB environment. It allows user to utilize the full power of MATLAB and its toolboxes in preprocessing, model manipulation, and post processing. At first, the head script launches COMSOL with MATLAB and defines initial value of all parameters, refers to the objective function J described in the objective function and creates and runs the defined optimization task. Once the task is launches, the COMSOL model is being called in the iteration loop (from MATLAB environment by use of API interface), changing defined optimization parameters so that the objective function is minimized, using fmincon function to find a local or global minimum of constrained linear or nonlinear multivariable function. Once the minimum is found, it returns exit flag, terminates optimization and returns the optimized values of the parameters. The cooperation with MATLAB via LiveLink enhances a powerful computational environment with complex multiphysics simulations. The paper will introduce using of the LiveLink for COMSOL for chosen case studies in the field of technical cybernetics and bioengineering.

Three-dimensional fuel pin model validation by prediction of hydrogen distribution in cladding and comparison with experiment

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

Aly, A.; Avramova, Maria; Ivanov, Kostadin

To correctly describe and predict this hydrogen distribution there is a need for multi-physics coupling to provide accurate three-dimensional azimuthal, radial, and axial temperature distributions in the cladding. Coupled high-fidelity reactor-physics codes with a sub-channel code as well as with a computational fluid dynamics (CFD) tool have been used to calculate detailed temperature distributions. These high-fidelity coupled neutronics/thermal-hydraulics code systems are coupled further with the fuel-performance BISON code with a kernel (module) for hydrogen. Both hydrogen migration and precipitation/dissolution are included in the model. Results from this multi-physics analysis is validated utilizing calculations of hydrogen distribution using models informed bymore » data from hydrogen experiments and PIE data.« less

CPMIP: measurements of real computational performance of Earth system models in CMIP6

NASA Astrophysics Data System (ADS)

Balaji, Venkatramani; Maisonnave, Eric; Zadeh, Niki; Lawrence, Bryan N.; Biercamp, Joachim; Fladrich, Uwe; Aloisio, Giovanni; Benson, Rusty; Caubel, Arnaud; Durachta, Jeffrey; Foujols, Marie-Alice; Lister, Grenville; Mocavero, Silvia; Underwood, Seth; Wright, Garrett

2017-01-01

A climate model represents a multitude of processes on a variety of timescales and space scales: a canonical example of multi-physics multi-scale modeling. The underlying climate system is physically characterized by sensitive dependence on initial conditions, and natural stochastic variability, so very long integrations are needed to extract signals of climate change. Algorithms generally possess weak scaling and can be I/O and/or memory-bound. Such weak-scaling, I/O, and memory-bound multi-physics codes present particular challenges to computational performance. Traditional metrics of computational efficiency such as performance counters and scaling curves do not tell us enough about real sustained performance from climate models on different machines. They also do not provide a satisfactory basis for comparative information across models. codes present particular challenges to computational performance. We introduce a set of metrics that can be used for the study of computational performance of climate (and Earth system) models. These measures do not require specialized software or specific hardware counters, and should be accessible to anyone. They are independent of platform and underlying parallel programming models. We show how these metrics can be used to measure actually attained performance of Earth system models on different machines, and identify the most fruitful areas of research and development for performance engineering. codes present particular challenges to computational performance. We present results for these measures for a diverse suite of models from several modeling centers, and propose to use these measures as a basis for a CPMIP, a computational performance model intercomparison project (MIP).

Computation of Thermodynamic Equilibria Pertinent to Nuclear Materials in Multi-Physics Codes

NASA Astrophysics Data System (ADS)

Piro, Markus Hans Alexander

Nuclear energy plays a vital role in supporting electrical needs and fulfilling commitments to reduce greenhouse gas emissions. Research is a continuing necessity to improve the predictive capabilities of fuel behaviour in order to reduce costs and to meet increasingly stringent safety requirements by the regulator. Moreover, a renewed interest in nuclear energy has given rise to a "nuclear renaissance" and the necessity to design the next generation of reactors. In support of this goal, significant research efforts have been dedicated to the advancement of numerical modelling and computational tools in simulating various physical and chemical phenomena associated with nuclear fuel behaviour. This undertaking in effect is collecting the experience and observations of a past generation of nuclear engineers and scientists in a meaningful way for future design purposes. There is an increasing desire to integrate thermodynamic computations directly into multi-physics nuclear fuel performance and safety codes. A new equilibrium thermodynamic solver is being developed with this matter as a primary objective. This solver is intended to provide thermodynamic material properties and boundary conditions for continuum transport calculations. There are several concerns with the use of existing commercial thermodynamic codes: computational performance; limited capabilities in handling large multi-component systems of interest to the nuclear industry; convenient incorporation into other codes with quality assurance considerations; and, licensing entanglements associated with code distribution. The development of this software in this research is aimed at addressing all of these concerns. The approach taken in this work exploits fundamental principles of equilibrium thermodynamics to simplify the numerical optimization equations. In brief, the chemical potentials of all species and phases in the system are constrained by estimates of the chemical potentials of the system components at each iterative step, and the objective is to minimize the residuals of the mass balance equations. Several numerical advantages are achieved through this simplification. In particular, computational expense is reduced and the rate of convergence is enhanced. Furthermore, the software has demonstrated the ability to solve systems involving as many as 118 component elements. An early version of the code has already been integrated into the Advanced Multi-Physics (AMP) code under development by the Oak Ridge National Laboratory, Los Alamos National Laboratory, Idaho National Laboratory and Argonne National Laboratory. Keywords: Engineering, Nuclear -- 0552, Engineering, Material Science -- 0794, Chemistry, Mathematics -- 0405, Computer Science -- 0984

Multiphysics Thrust Chamber Modeling for Nuclear Thermal Propulsion

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Cheng, Gary; Chen, Yen-Sen

2006-01-01

The objective of this effort is to develop an efficient and accurate thermo-fluid computational methodology to predict environments for a solid-core, nuclear thermal engine thrust chamber. The computational methodology is based on an unstructured-grid, pressure-based computational fluid dynamics formulation. A two-pronged approach is employed in this effort: A detailed thermo-fluid analysis on a multi-channel flow element for mid-section corrosion investigation; and a global modeling of the thrust chamber to understand the effect of heat transfer on thrust performance. Preliminary results on both aspects are presented.

Shock-driven fluid-structure interaction for civil design

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

Wood, Stephen L; Deiterding, Ralf

The multiphysics fluid-structure interaction simulation of shock-loaded structures requires the dynamic coupling of a shock-capturing flow solver to a solid mechanics solver for large deformations. The Virtual Test Facility combines a Cartesian embedded boundary approach with dynamic mesh adaptation in a generic software framework of flow solvers using hydrodynamic finite volume upwind schemes that are coupled to various explicit finite element solid dynamics solvers (Deiterding et al., 2006). This paper gives a brief overview of the computational approach and presents first simulations that utilize the general purpose solid dynamics code DYNA3D for complex 3D structures of interest in civil engineering.more » Results from simulations of a reinforced column, highway bridge, multistory building, and nuclear reactor building are presented.« less

Coupled Multi-physical Simulations for the Assessment of Nuclear Waste Repository Concepts: Modeling, Software Development and Simulation

NASA Astrophysics Data System (ADS)

Massmann, J.; Nagel, T.; Bilke, L.; Böttcher, N.; Heusermann, S.; Fischer, T.; Kumar, V.; Schäfers, A.; Shao, H.; Vogel, P.; Wang, W.; Watanabe, N.; Ziefle, G.; Kolditz, O.

2016-12-01

As part of the German site selection process for a high-level nuclear waste repository, different repository concepts in the geological candidate formations rock salt, clay stone and crystalline rock are being discussed. An open assessment of these concepts using numerical simulations requires physical models capturing the individual particularities of each rock type and associated geotechnical barrier concept to a comparable level of sophistication. In a joint work group of the Helmholtz Centre for Environmental Research (UFZ) and the German Federal Institute for Geosciences and Natural Resources (BGR), scientists of the UFZ are developing and implementing multiphysical process models while BGR scientists apply them to large scale analyses. The advances in simulation methods for waste repositories are incorporated into the open-source code OpenGeoSys. Here, recent application-driven progress in this context is highlighted. A robust implementation of visco-plasticity with temperature-dependent properties into a framework for the thermo-mechanical analysis of rock salt will be shown. The model enables the simulation of heat transport along with its consequences on the elastic response as well as on primary and secondary creep or the occurrence of dilatancy in the repository near field. Transverse isotropy, non-isothermal hydraulic processes and their coupling to mechanical stresses are taken into account for the analysis of repositories in clay stone. These processes are also considered in the near field analyses of engineered barrier systems, including the swelling/shrinkage of the bentonite material. The temperature-dependent saturation evolution around the heat-emitting waste container is described by different multiphase flow formulations. For all mentioned applications, we illustrate the workflow from model development and implementation, over verification and validation, to repository-scale application simulations using methods of high performance computing.

Parallel Monte Carlo transport modeling in the context of a time-dependent, three-dimensional multi-physics code

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

Procassini, R.J.

1997-12-31

The fine-scale, multi-space resolution that is envisioned for accurate simulations of complex weapons systems in three spatial dimensions implies flop-rate and memory-storage requirements that will only be obtained in the near future through the use of parallel computational techniques. Since the Monte Carlo transport models in these simulations usually stress both of these computational resources, they are prime candidates for parallelization. The MONACO Monte Carlo transport package, which is currently under development at LLNL, will utilize two types of parallelism within the context of a multi-physics design code: decomposition of the spatial domain across processors (spatial parallelism) and distribution ofmore » particles in a given spatial subdomain across additional processors (particle parallelism). This implementation of the package will utilize explicit data communication between domains (message passing). Such a parallel implementation of a Monte Carlo transport model will result in non-deterministic communication patterns. The communication of particles between subdomains during a Monte Carlo time step may require a significant level of effort to achieve a high parallel efficiency.« less

Status and future of MUSE

NASA Astrophysics Data System (ADS)

Harfst, S.; Portegies Zwart, S.; McMillan, S.

2008-12-01

We present MUSE, a software framework for combining existing computational tools from different astrophysical domains into a single multi-physics, multi-scale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly-coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for studying generalized stellar systems. We have now reached a ``Noah's Ark'' milestone, with (at least) two available numerical solvers for each domain. MUSE can treat multi-scale and multi-physics systems in which the time- and size-scales are well separated, like simulating the evolution of planetary systems, small stellar associations, dense stellar clusters, galaxies and galactic nuclei. In this paper we describe two examples calculated using MUSE: the merger of two galaxies and an N-body simulation with live stellar evolution. In addition, we demonstrate an implementation of MUSE on a distributed computer which may also include special-purpose hardware, such as GRAPEs or GPUs, to accelerate computations. The current MUSE code base is publicly available as open source at http://muse.li.

Multiphysics modelling and experimental validation of an air-coupled array of PMUTs with residual stresses

NASA Astrophysics Data System (ADS)

Massimino, G.; Colombo, A.; D'Alessandro, L.; Procopio, F.; Ardito, R.; Ferrera, M.; Corigliano, A.

2018-05-01

In this paper a complete multiphysics modelling via the finite element method (FEM) of an air-coupled array of piezoelectric micromachined ultrasonic transducers (PMUT) and its experimental validation are presented. Two numerical models are described for the single transducer, axisymmetric and 3D, with the following features: the presence of fabrication induced residual stresses, which determine a non-linear initial deformed configuration of the diaphragm and a substantial fundamental mode frequency shift; the multiple coupling between different physics, namely electro-mechanical coupling for the piezo-electric model, thermo-acoustic-structural interaction and thermo-acoustic-pressure interaction for the waves propagation in the surrounding fluid. The model for the single transducer is enhanced considering the full set of PMUTs belonging to the silicon dye in a 4 × 4 array configuration. The results of the numerical multiphysics models are compared with experimental ones in terms of the initial static pre-deflection, of the diaphragm central point spectrum and of the sound intensity at 3.5 cm on the vertical direction along the axis of the diaphragm.

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

Simunovic, Srdjan; Piro, Markus H.A.

Thermochimica is a software library that determines a unique combination of phases and their compositions at thermochemical equilibrium. Thermochimica can be used for stand-alone calculations or it can be directly coupled to other codes. This release of the software does not have a graphical user interface (GUI) and it can be executed from the command line or from an Application Programming Interface (API). Also, it is not intended for thermodynamic model development or for constructing phase diagrams. The main purpose of the software is to be directly coupled with a multi-physics code to provide material properties and boundary conditions formore » various physical phenomena. Significant research efforts have been dedicated to enhance computational performance through advanced algorithm development, such as improved estimation techniques and non-linear solvers. Various useful parameters can be provided as output from Thermochimica, such as: determination of which phases are stable at equilibrium, the mass of solution species and phases at equilibrium, mole fractions of solution phase constituents, thermochemical activities (which are related to partial pressures for gaseous species), chemical potentials of solution species and phases, and integral Gibbs energy (referenced relative to standard state). The overall goal is to provide an open source computational tool to enhance the predictive capability of multi-physics codes without significantly impeding computational performance.« less

Multiphysics Modeling of an Annular Linear Induction Pump With Applications to Space Nuclear Power Systems

NASA Technical Reports Server (NTRS)

Kilbane, J.; Polzin, K. A.

2014-01-01

An annular linear induction pump (ALIP) that could be used for circulating liquid-metal coolant in a fission surface power reactor system is modeled in the present work using the computational COMSOL Multiphysics package. The pump is modeled using a two-dimensional, axisymmetric geometry and solved under conditions similar to those used during experimental pump testing. Real, nonlinear, temperature-dependent material properties can be incorporated into the model for both the electrically-conducting working fluid in the pump (NaK-78) and structural components of the pump. The intricate three-phase coil configuration of the pump is implemented in the model to produce an axially-traveling magnetic wave that is qualitatively similar to the measured magnetic wave. The model qualitatively captures the expected feature of a peak in efficiency as a function of flow rate.

Multidimensional Multiphysics Simulation of TRISO Particle Fuel

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

J. D. Hales; R. L. Williamson; S. R. Novascone

2013-11-01

Multidimensional multiphysics analysis of TRISO-coated particle fuel using the BISON finite-element based nuclear fuels code is described. The governing equations and material models applicable to particle fuel and implemented in BISON are outlined. Code verification based on a recent IAEA benchmarking exercise is described, and excellant comparisons are reported. Multiple TRISO-coated particles of increasing geometric complexity are considered. It is shown that the code's ability to perform large-scale parallel computations permits application to complex 3D phenomena while very efficient solutions for either 1D spherically symmetric or 2D axisymmetric geometries are straightforward. Additionally, the flexibility to easily include new physical andmore » material models and uncomplicated ability to couple to lower length scale simulations makes BISON a powerful tool for simulation of coated-particle fuel. Future code development activities and potential applications are identified.« less

Insights to regenerate materials: learning from nature

NASA Astrophysics Data System (ADS)

García-Aznar, J. M.; Valero, C.; Gómez-Benito, M. J.; Javierre, E.

2016-08-01

Self-healing materials, both biological and engineered, integrate the ability to repair themselves and recover their functionality using the resources inherently available to them. Although significant advances have been made, in recent years, for the design of different concepts of self-healing materials, this work aims to provide some insights into how living materials are able to regenerate or heal when a fracture or injury occurs. The main sensors that regulate this adaptive and regenerative behavior are the cells. These are able to sense the mechanical alterations in their surroundings and regulate their activity in order to remove dead tissue and/or create new tissue. Therefore, understanding how cells are able to regenerate tissues under complex and multiphysics conditions can define the biomimetics guidelines to heal through inert or traditional engineering materials. In this work, we present a combination of experiments and different kinds of multiscale and multiphysics models in order to understand how mechanics regulate some mechanisms at cell and tissue level. This combination of results aims to gain insight into the development of novel strategies for self-healing materials, mimicking the behavior induced by cells and biological tissues.

Modeling for Battery Prognostics

NASA Technical Reports Server (NTRS)

Kulkarni, Chetan S.; Goebel, Kai; Khasin, Michael; Hogge, Edward; Quach, Patrick

2017-01-01

For any battery-powered vehicles (be it unmanned aerial vehicles, small passenger aircraft, or assets in exoplanetary operations) to operate at maximum efficiency and reliability, it is critical to monitor battery health as well performance and to predict end of discharge (EOD) and end of useful life (EOL). To fulfil these needs, it is important to capture the battery's inherent characteristics as well as operational knowledge in the form of models that can be used by monitoring, diagnostic, and prognostic algorithms. Several battery modeling methodologies have been developed in last few years as the understanding of underlying electrochemical mechanics has been advancing. The models can generally be classified as empirical models, electrochemical engineering models, multi-physics models, and molecular/atomist. Empirical models are based on fitting certain functions to past experimental data, without making use of any physicochemical principles. Electrical circuit equivalent models are an example of such empirical models. Electrochemical engineering models are typically continuum models that include electrochemical kinetics and transport phenomena. Each model has its advantages and disadvantages. The former type of model has the advantage of being computationally efficient, but has limited accuracy and robustness, due to the approximations used in developed model, and as a result of such approximations, cannot represent aging well. The latter type of model has the advantage of being very accurate, but is often computationally inefficient, having to solve complex sets of partial differential equations, and thus not suited well for online prognostic applications. In addition both multi-physics and atomist models are computationally expensive hence are even less suited to online application An electrochemistry-based model of Li-ion batteries has been developed, that captures crucial electrochemical processes, captures effects of aging, is computationally efficient, and is of suitable accuracy for reliable EOD prediction in a variety of operational profiles. The model can be considered an electrochemical engineering model, but unlike most such models found in the literature, certain approximations are done that allow to retain computational efficiency for online implementation of the model. Although the focus here is on Li-ion batteries, the model is quite general and can be applied to different chemistries through a change of model parameter values. Progress on model development, providing model validation results and EOD prediction results is being presented.

Multiscale fluid-structure interaction modelling to determine the mechanical stimulation of bone cells in a tissue engineered scaffold.

PubMed

Zhao, Feihu; Vaughan, Ted J; Mcnamara, Laoise M

2015-04-01

Recent studies have shown that mechanical stimulation, by means of flow perfusion and mechanical compression (or stretching), enhances osteogenic differentiation of mesenchymal stem cells and bone cells within biomaterial scaffolds in vitro. However, the precise mechanisms by which such stimulation enhances bone regeneration is not yet fully understood. Previous computational studies have sought to characterise the mechanical stimulation on cells within biomaterial scaffolds using either computational fluid dynamics or finite element (FE) approaches. However, the physical environment within a scaffold under perfusion is extremely complex and requires a multiscale and multiphysics approach to study the mechanical stimulation of cells. In this study, we seek to determine the mechanical stimulation of osteoblasts seeded in a biomaterial scaffold under flow perfusion and mechanical compression using multiscale modelling by two-way fluid-structure interaction and FE approaches. The mechanical stimulation, in terms of wall shear stress (WSS) and strain in osteoblasts, is quantified at different locations within the scaffold for cells of different attachment morphologies (attached, bridged). The results show that 75.4 % of scaffold surface has a WSS of 0.1-10 mPa, which indicates the likelihood of bone cell differentiation at these locations. For attached and bridged osteoblasts, the maximum strains are 397 and 177,200 με, respectively. Additionally, the results from mechanical compression show that attached cells are more stimulated (maximum strain = 22,600 με) than bridged cells (maximum strain = 10.000 με)Such information is important for understanding the biological response of osteoblasts under in vitro stimulation. Finally, a combination of perfusion and compression of a tissue engineering scaffold is suggested for osteogenic differentiation.

Multiphysics Nuclear Thermal Rocket Thrust Chamber Analysis

NASA Technical Reports Server (NTRS)

Wang, Ten-See

2005-01-01

The objective of this effort is t o develop an efficient and accurate thermo-fluid computational methodology to predict environments for hypothetical thrust chamber design and analysis. The current task scope is to perform multidimensional, multiphysics analysis of thrust performance and heat transfer analysis for a hypothetical solid-core, nuclear thermal engine including thrust chamber and nozzle. The multiphysics aspects of the model include: real fluid dynamics, chemical reactivity, turbulent flow, and conjugate heat transfer. The model will be designed to identify thermal, fluid, and hydrogen environments in all flow paths and materials. This model would then be used to perform non- nuclear reproduction of the flow element failures demonstrated in the Rover/NERVA testing, investigate performance of specific configurations and assess potential issues and enhancements. A two-pronged approach will be employed in this effort: a detailed analysis of a multi-channel, flow-element, and global modeling of the entire thrust chamber assembly with a porosity modeling technique. It is expected that the detailed analysis of a single flow element would provide detailed fluid, thermal, and hydrogen environments for stress analysis, while the global thrust chamber assembly analysis would promote understanding of the effects of hydrogen dissociation and heat transfer on thrust performance. These modeling activities will be validated as much as possible by testing performed by other related efforts.

CFD Multiphysics Tool

NASA Technical Reports Server (NTRS)

Perrell, Eric R.

2005-01-01

The recent bold initiatives to expand the human presence in space require innovative approaches to the design of propulsion systems whose underlying technology is not yet mature. The space propulsion community has identified a number of candidate concepts. A short list includes solar sails, high-energy-density chemical propellants, electric and electromagnetic accelerators, solar-thermal and nuclear-thermal expanders. For each of these, the underlying physics are relatively well understood. One could easily cite authoritative texts, addressing both the governing equations, and practical solution methods for, e.g. electromagnetic fields, heat transfer, radiation, thermophysics, structural dynamics, particulate kinematics, nuclear energy, power conversion, and fluid dynamics. One could also easily cite scholarly works in which complete equation sets for any one of these physical processes have been accurately solved relative to complex engineered systems. The Advanced Concepts and Analysis Office (ACAO), Space Transportation Directorate, NASA Marshall Space Flight Center, has recently released the first alpha version of a set of computer utilities for performing the applicable physical analyses relative to candidate deep-space propulsion systems such as those listed above. PARSEC, Preliminary Analysis of Revolutionary in-Space Engineering Concepts, enables rapid iterative calculations using several physics tools developed in-house. A complete cycle of the entire tool set takes about twenty minutes. PARSEC is a level-zero/level-one design tool. For PARSEC s proof-of-concept, and preliminary design decision-making, assumptions that significantly simplify the governing equation sets are necessary. To proceed to level-two, one wishes to retain modeling of the underlying physics as close as practical to known applicable first principles. This report describes results of collaboration between ACAO, and Embry-Riddle Aeronautical University (ERAU), to begin building a set of level-two design tools for PARSEC. The "CFD Multiphysics Tool" will be the propulsive element of the tool set. The name acknowledges that space propulsion performance assessment is primarily a fluid mechanics problem. At the core of the CFD Multiphysics Tool is an open-source CFD code, HYP, under development at ERAU. ERAU is renowned for its undergraduate degree program in Aerospace Engineering the largest in the nation. The strength of the program is its applications-oriented curriculum, which culminates in one of three two-course Engineering Design sequences: Aerospace Propulsion, Spacecraft, or Aircraft. This same philosophy applies to the HYP Project, albeit with fluid physics modeling commensurate with graduate research. HYP s purpose, like the Multiphysics Tool s, is to enable calculations of real (three-dimensional; geometrically complex; intended for hardware development) applications of high speed and propulsive fluid flows.

Multiphysics Modeling and Simulations of Mil A46100 Armor-Grade Martensitic Steel Gas Metal Arc Welding Process

NASA Astrophysics Data System (ADS)

Grujicic, M.; Ramaswami, S.; Snipes, J. S.; Yen, C.-F.; Cheeseman, B. A.; Montgomery, J. S.

2013-10-01

A multiphysics computational model has been developed for the conventional Gas Metal Arc Welding (GMAW) joining process and used to analyze butt-welding of MIL A46100, a prototypical high-hardness armor martensitic steel. The model consists of five distinct modules, each covering a specific aspect of the GMAW process, i.e., (a) dynamics of welding-gun behavior; (b) heat transfer from the electric arc and mass transfer from the electrode to the weld; (c) development of thermal and mechanical fields during the GMAW process; (d) the associated evolution and spatial distribution of the material microstructure throughout the weld region; and (e) the final spatial distribution of the as-welded material properties. To make the newly developed GMAW process model applicable to MIL A46100, the basic physical-metallurgy concepts and principles for this material have to be investigated and properly accounted for/modeled. The newly developed GMAW process model enables establishment of the relationship between the GMAW process parameters (e.g., open circuit voltage, welding current, electrode diameter, electrode-tip/weld distance, filler-metal feed speed, and gun travel speed), workpiece material chemistry, and the spatial distribution of as-welded material microstructure and properties. The predictions of the present GMAW model pertaining to the spatial distribution of the material microstructure and properties within the MIL A46100 weld region are found to be consistent with general expectations and prior observations.

Numerical simulation of micro-crack occurring in pipe made of stainless steel

NASA Astrophysics Data System (ADS)

Wotzka, Daria

2017-10-01

Research works carried out regard to studies aiming at determination of the effect of cumulative duty operation on the development of micro-cracks in pipelines for transport of chemical substances. This paper presents results of computer simulations of a pipeline made of stainless steel. The model was investigated using the COMSOL Multiphysics environment. The object under study was divided into sub areas and then discretized according to the FEM method. The physico-chemical parameters of individual areas were defined based on measurement data. The main aim of research works was the modeling of acoustic emission wave, which is emitted in the vicinity of the tip of micro-crack as a result of its development. In order to solve the task, heterogeneity in the structure of the material, referred to damage/micro-crack, causing local stresses was assumed. The local stresses give rise to elastic waves, which propagate in the material in all directions. When the emission waves reach the boundaries of the pipe they are then transferred into acoustic waves and propagate in the surround air, until their natural attenuation. The numerical model takes into account the effect of high pressure (3.6 MPa) and negative temperature (-100°C) of the gas, transported inside the pipe. The influence of changes of these values in the range of ± 20% on the obtained results was investigated. The main contribution of the works is the multiphysical simulation model of transportation pipe made of steel, coupling structural mechanics, thermal conductivity and acoustic waves.

On the concept of the interactive information and simulation system for gas dynamics and multiphysics problems

NASA Astrophysics Data System (ADS)

Bessonov, O.; Silvestrov, P.

2017-02-01

This paper describes the general idea and the first implementation of the Interactive information and simulation system - an integrated environment that combines computational modules for modeling the aerodynamics and aerothermodynamics of re-entry space vehicles with the large collection of different information materials on this topic. The internal organization and the composition of the system are described and illustrated. Examples of the computational and information output are presented. The system has the unified implementation for Windows and Linux operation systems and can be deployed on any modern high-performance personal computer.

Role of Airway Recruitment and Derecruitment in Lung Injury

PubMed Central

Ghadiali, S. N.; Huang, Y.

2011-01-01

The mechanical forces generated during the ventilation of patients with acute lung injury causes significant lung damage and inflammation. Low-volume ventilation protocols are commonly used to prevent stretch-related injury that occurs at high lung volumes. However, the cyclic closure and reopening of pulmonary airways at low lung volumes, i.e., derecruitment and recruitment, also causes significant lung damage and inflammation. In this review, we provide an overview of how biomedical engineering techniques are being used to elucidate the complex physiological and biomechanical mechanisms responsible for cellular injury during recruitment/derecruitment. We focus on the development of multiscale, multiphysics computational models of cell deformation and injury during airway reopening. These models, and the corresponding in vitro experiments, have been used to both elucidate the basic mechanisms responsible for recruitment/derecruitment injury and to develop alternative therapies that make the epithelium more resistant to injury. For example, models and experiments indicate that fluidization of the cytoskeleton is cytoprotective and that changes in cytoskeletal structure and cell mechanics can be used to mitigate the mechanotransduction of oscillatory pressure into inflammatory signaling. The continued application of biomedical engineering techniques to the problem of recruitment/derecruitment injury may therefore lead to novel and more effective therapies. PMID:22011235

Multi-scale Modeling of the Cardiovascular System: Disease Development, Progression, and Clinical Intervention.

PubMed

Zhang, Yanhang; Barocas, Victor H; Berceli, Scott A; Clancy, Colleen E; Eckmann, David M; Garbey, Marc; Kassab, Ghassan S; Lochner, Donna R; McCulloch, Andrew D; Tran-Son-Tay, Roger; Trayanova, Natalia A

2016-09-01

Cardiovascular diseases (CVDs) are the leading cause of death in the western world. With the current development of clinical diagnostics to more accurately measure the extent and specifics of CVDs, a laudable goal is a better understanding of the structure-function relation in the cardiovascular system. Much of this fundamental understanding comes from the development and study of models that integrate biology, medicine, imaging, and biomechanics. Information from these models provides guidance for developing diagnostics, and implementation of these diagnostics to the clinical setting, in turn, provides data for refining the models. In this review, we introduce multi-scale and multi-physical models for understanding disease development, progression, and designing clinical interventions. We begin with multi-scale models of cardiac electrophysiology and mechanics for diagnosis, clinical decision support, personalized and precision medicine in cardiology with examples in arrhythmia and heart failure. We then introduce computational models of vasculature mechanics and associated mechanical forces for understanding vascular disease progression, designing clinical interventions, and elucidating mechanisms that underlie diverse vascular conditions. We conclude with a discussion of barriers that must be overcome to provide enhanced insights, predictions, and decisions in pre-clinical and clinical applications.

Multi-scale Modeling of the Cardiovascular System: Disease Development, Progression, and Clinical Intervention

PubMed Central

Zhang, Yanhang; Barocas, Victor H.; Berceli, Scott A.; Clancy, Colleen E.; Eckmann, David M.; Garbey, Marc; Kassab, Ghassan S.; Lochner, Donna R.; McCulloch, Andrew D.; Tran-Son-Tay, Roger; Trayanova, Natalia A.

2016-01-01

Cardiovascular diseases (CVDs) are the leading cause of death in the western world. With the current development of clinical diagnostics to more accurately measure the extent and specifics of CVDs, a laudable goal is a better understanding of the structure-function relation in the cardiovascular system. Much of this fundamental understanding comes from the development and study of models that integrate biology, medicine, imaging, and biomechanics. Information from these models provides guidance for developing diagnostics, and implementation of these diagnostics to the clinical setting, in turn, provides data for refining the models. In this review, we introduce multi-scale and multi-physical models for understanding disease development, progression, and designing clinical interventions. We begin with multi-scale models of cardiac electrophysiology and mechanics for diagnosis, clinical decision support, personalized and precision medicine in cardiology with examples in arrhythmia and heart failure. We then introduce computational models of vasculature mechanics and associated mechanical forces for understanding vascular disease progression, designing clinical interventions, and elucidating mechanisms that underlie diverse vascular conditions. We conclude with a discussion of barriers that must be overcome to provide enhanced insights, predictions, and decisions in pre-clinical and clinical applications. PMID:27138523

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.

Comprehensive preclinical evaluation of a multi-physics model of liver tumor radiofrequency ablation.

PubMed

Audigier, Chloé; Mansi, Tommaso; Delingette, Hervé; Rapaka, Saikiran; Passerini, Tiziano; Mihalef, Viorel; Jolly, Marie-Pierre; Pop, Raoul; Diana, Michele; Soler, Luc; Kamen, Ali; Comaniciu, Dorin; Ayache, Nicholas

2017-09-01

We aim at developing a framework for the validation of a subject-specific multi-physics model of liver tumor radiofrequency ablation (RFA). The RFA computation becomes subject specific after several levels of personalization: geometrical and biophysical (hemodynamics, heat transfer and an extended cellular necrosis model). We present a comprehensive experimental setup combining multimodal, pre- and postoperative anatomical and functional images, as well as the interventional monitoring of intra-operative signals: the temperature and delivered power. To exploit this dataset, an efficient processing pipeline is introduced, which copes with image noise, variable resolution and anisotropy. The validation study includes twelve ablations from five healthy pig livers: a mean point-to-mesh error between predicted and actual ablation extent of 5.3 ± 3.6 mm is achieved. This enables an end-to-end preclinical validation framework that considers the available dataset.

Multiphysics Model of Palladium Hydride Isotope Exchange Accounting for Higher Dimensionality

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

Gharagozloo, Patricia E.; Eliassi, Mehdi; Bon, Bradley Luis

2015-03-01

This report summarizes computational model developm ent and simulations results for a series of isotope exchange dynamics experiments i ncluding long and thin isothermal beds similar to the Foltz and Melius beds and a lar ger non-isothermal experiment on the NENG7 test bed. The multiphysics 2D axi-symmetr ic model simulates the temperature and pressure dependent exchange reactio n kinetics, pressure and isotope dependent stoichiometry, heat generation from the r eaction, reacting gas flow through porous media, and non-uniformities in the bed perme ability. The new model is now able to replicate the curved reaction front and asy mmetry of themore » exit gas mass fractions over time. The improved understanding of the exchange process and its dependence on the non-uniform bed properties and te mperatures in these larger systems is critical to the future design of such sy stems.« less

A short note on the use of the red-black tree in Cartesian adaptive mesh refinement algorithms

NASA Astrophysics Data System (ADS)

Hasbestan, Jaber J.; Senocak, Inanc

2017-12-01

Mesh adaptivity is an indispensable capability to tackle multiphysics problems with large disparity in time and length scales. With the availability of powerful supercomputers, there is a pressing need to extend time-proven computational techniques to extreme-scale problems. Cartesian adaptive mesh refinement (AMR) is one such method that enables simulation of multiscale, multiphysics problems. AMR is based on construction of octrees. Originally, an explicit tree data structure was used to generate and manipulate an adaptive Cartesian mesh. At least eight pointers are required in an explicit approach to construct an octree. Parent-child relationships are then used to traverse the tree. An explicit octree, however, is expensive in terms of memory usage and the time it takes to traverse the tree to access a specific node. For these reasons, implicit pointerless methods have been pioneered within the computer graphics community, motivated by applications requiring interactivity and realistic three dimensional visualization. Lewiner et al. [1] provides a concise review of pointerless approaches to generate an octree. Use of a hash table and Z-order curve are two key concepts in pointerless methods that we briefly discuss next.

Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics Talk: Understanding Nano-scale Electronic Systems via Large-scale Computation

NASA Astrophysics Data System (ADS)

Cao, Chao

2009-03-01

Nano-scale physical phenomena and processes, especially those in electronics, have drawn great attention in the past decade. Experiments have shown that electronic and transport properties of functionalized carbon nanotubes are sensitive to adsorption of gas molecules such as H2, NO2, and NH3. Similar measurements have also been performed to study adsorption of proteins on other semiconductor nano-wires. These experiments suggest that nano-scale systems can be useful for making future chemical and biological sensors. Aiming to understand the physical mechanisms underlying and governing property changes at nano-scale, we start off by investigating, via first-principles method, the electronic structure of Pd-CNT before and after hydrogen adsorption, and continue with coherent electronic transport using non-equilibrium Green’s function techniques combined with density functional theory. Once our results are fully analyzed they can be used to interpret and understand experimental data, with a few difficult issues to be addressed. Finally, we discuss a newly developed multi-scale computing architecture, OPAL, that coordinates simultaneous execution of multiple codes. Inspired by the capabilities of this computing framework, we present a scenario of future modeling and simulation of multi-scale, multi-physical processes.

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

Micro-fabrication of a novel linear actuator

NASA Astrophysics Data System (ADS)

Jiang, Shuidong; Liu, Lei; Hou, Yangqing; Fang, Houfei

2017-04-01

The novel linear actuator is researched with light weight, small volume, low power consumption, fast response and relatively large displacement output. It can be used for the net surface control of large deployable mesh antennas, the tension precise adjustment of the controlled cable in the tension and tensile truss structure and many other applications. The structure and the geometry parameters are designed and analysed by finite element method in multi-physics coupling. Meantime, the relationship between input voltage and displacement output is computed, and the strength check is completed according to the stress distribution. Carbon fiber reinforced composite (CFRC), glass fiber reinforced composited (GFRC), and Lead Zirconium Titanate (PZT) materials are used to fabricate the actuator by using laser etching and others MEMS process. The displacement output is measured by the laser displacement sensor device at the input voltage range of DC0-180V. The response time is obtained by oscilloscope at the arbitrarily voltage in the above range. The nominal force output is measured by the PTR-1101 mechanics setup. Finally, the computed and test results are compared and analysed.

TerraFERMA: The Transparent Finite Element Rapid Model Assembler for multi-physics problems in the solid Earth sciences

NASA Astrophysics Data System (ADS)

Spiegelman, M. W.; Wilson, C. R.; Van Keken, P. E.

2013-12-01

We announce the release of a new software infrastructure, TerraFERMA, the Transparent Finite Element Rapid Model Assembler for the exploration and solution of coupled multi-physics problems. The design of TerraFERMA is driven by two overarching computational needs in Earth sciences. The first is the need for increased flexibility in both problem description and solution strategies for coupled problems where small changes in model assumptions can often lead to dramatic changes in physical behavior. The second is the need for software and models that are more transparent so that results can be verified, reproduced and modified in a manner such that the best ideas in computation and earth science can be more easily shared and reused. TerraFERMA leverages three advanced open-source libraries for scientific computation that provide high level problem description (FEniCS), composable solvers for coupled multi-physics problems (PETSc) and a science neutral options handling system (SPuD) that allows the hierarchical management of all model options. TerraFERMA integrates these libraries into an easier to use interface that organizes the scientific and computational choices required in a model into a single options file, from which a custom compiled application is generated and run. Because all models share the same infrastructure, models become more reusable and reproducible. TerraFERMA inherits much of its functionality from the underlying libraries. It currently solves partial differential equations (PDE) using finite element methods on simplicial meshes of triangles (2D) and tetrahedra (3D). The software is particularly well suited for non-linear problems with complex coupling between components. We demonstrate the design and utility of TerraFERMA through examples of thermal convection and magma dynamics. TerraFERMA has been tested successfully against over 45 benchmark problems from 7 publications in incompressible and compressible convection, magmatic solitary waves and Stokes flow with free surfaces. We have been using it extensively for research in basic magma dynamics, fluid flow in subduction zones and reactive cracking in poro-elastic materials. TerraFERMA is open-source and available as a git repository at bitbucket.org/tferma/tferma and through CIG. Instability of a 1-D magmatic solitary wave to spherical 3D waves calculated using TerraFERMA

Modeling of interdendritic porosity defects in an integrated computational materials engineering approach for metal casting

DOE PAGES

Sabau, Adrian S.

2016-04-22

Modeling and simulation of multiphysical phenomena needs to be considered in the design and optimization of mechanical properties of cast components in order to accelerate the introduction of new cast alloys. The data on casting defects, including microstructure features, is crucial for evaluating the final performance-related properties of the component. Here in this paper, the required models for the prediction of interdendritic casting defects, such as microporosity and hot tears, are reviewed. The data on calculated solidification shrinkage is presented and its effects on microporosity levels discussed. Numerical simulation results for microporosity are presented for A356, 356 and 319 aluminummore » alloys using ProCAST TM software. The calculated pressure drop of the interdendritic liquid was observed to be quite significant and the regions of high-pressure drop can be used as an indicator of the severity of interdendritic microporosity defects.« less

Modelling fully-coupled Thermo-Hydro-Mechanical (THM) processes in fractured reservoirs using GOLEM: a massively parallel open-source simulator

NASA Astrophysics Data System (ADS)

Jacquey, Antoine; Cacace, Mauro

2017-04-01

Utilization of the underground for energy-related purposes have received increasing attention in the last decades as a source for carbon-free energy and for safe storage solutions. Understanding the key processes controlling fluid and heat flow around geological discontinuities such as faults and fractures as well as their mechanical behaviours is therefore of interest in order to design safe and sustainable reservoir operations. These processes occur in a naturally complex geological setting, comprising natural or engineered discrete heterogeneities as faults and fractures, span a relatively large spectrum of temporal and spatial scales and they interact in a highly non-linear fashion. In this regard, numerical simulators have become necessary in geological studies to model coupled processes and complex geological geometries. In this study, we present a new simulator GOLEM, using multiphysics coupling to characterize geological reservoirs. In particular, special attention is given to discrete geological features such as faults and fractures. GOLEM is based on the Multiphysics Object-Oriented Simulation Environment (MOOSE). The MOOSE framework provides a powerful and flexible platform to solve multiphysics problems implicitly and in a tightly coupled manner on unstructured meshes which is of interest for the considered non-linear context. Governing equations in 3D for fluid flow, heat transfer (conductive and advective), saline transport as well as deformation (elastic and plastic) have been implemented into the GOLEM application. Coupling between rock deformation and fluid and heat flow is considered using theories of poroelasticity and thermoelasticity. Furthermore, considering material properties such as density and viscosity and transport properties such as porosity as dependent on the state variables (based on the International Association for the Properties of Water and Steam models) increase the coupling complexity of the problem. The GOLEM application aims therefore at integrating more physical processes observed in the field or in the laboratory to simulate more realistic scenarios. The use of high-level nonlinear solver technology allow us to tackle these complex multiphysics problems in three dimensions. Basic concepts behing the GOLEM simulator will be presented in this study as well as a few application examples to illustrate its main features.

Development of a directivity controlled piezoelectric transducer for sound reproduction

NASA Astrophysics Data System (ADS)

Bédard, Magella; Berry, Alain

2005-04-01

One of the inherent limitations of loudspeaker systems in audio reproduction is their inability to reproduce the possibly complex acoustic directivity patterns of real sound sources. For music reproduction for example, it may be desirable to separate diffuse field and direct sound components and project them with different directivity patterns. Because of their properties, poly (vinylidene fluoride) (PVDF) films offer lot of advantages for the development of electroacoustic transducers. A system of piezoelectric transducers made with PVDF that show a controllable directivity was developed. A cylindrical omnidirectional piezoelectric transducer is used to produce an ambient field, and a piezoelectric transducers system, consisting of a series of curved sources placed around a cylinder frame, is used to produce a sound field with a given directivity. To develop the system, a numerical model was generated with ANSYS Multiphysics TM8.1 and used to calculate the mechanical response of the piezoelectric transducer. The acoustic radiation of the driver was then computed using the Kirchoff-Helmoltz theorem. Numerical and experimental results of the mechanical and acoustical response of the system will be shown.

A Computational Study of a Circular Interface Richtmyer-Meshkov Instability in MHD

NASA Astrophysics Data System (ADS)

Maxon, William; Black, Wolfgang; Denissen, Nicholas; McFarland, Jacob; Los Alamos National Laboratory Collaboration; University of Missouri Shock Tube Laboratory Team

2017-11-01

The Richtmyer-Meshkov instability (RMI) is a hydrodynamic instability that appears in several high energy density applications such as inertial confinement fusion (ICF). In ICF, as the thermonuclear fuel is being compressed it begins to mix due to fluid instabilities including the RMI. This mixing greatly decreases the energy output. The RMI occurs when two fluids of different densities are impulsively accelerated and the pressure and density gradients are misaligned. In magnetohydrodynamics (MHD), the RMI may be suppressed by introducing a magnetic field in an electrically conducting fluid, such as a plasma. This suppression has been studied as a possible mechanism for improving confinement in ICF targets. In this study,ideal MHD simulations are performed with a circular interface impulsively accelerated by a shock wave in the presence of a magnetic field. These simulations are executed with the research code FLAG, a multiphysics, arbitrary Lagrangian/Eulerian, hydrocode developed and utilized at Los Alamos National Laboratory. The simulation results will be assessed both quantitatively and qualitatively to examine the stabilization mechanism. These simulations will guide ongoing MHD experiments at the University of Missouri Shock Tube Facility.

Design and multiphysics analysis of a 176Â MHz continuous-wave radio-frequency quadrupole

NASA Astrophysics Data System (ADS)

Kutsaev, S. V.; Mustapha, B.; Ostroumov, P. N.; Barcikowski, A.; Schrage, D.; Rodnizki, J.; Berkovits, D.

2014-07-01

We have developed a new design for a 176 MHz cw radio-frequency quadrupole (RFQ) for the SARAF upgrade project. At this frequency, the proposed design is a conventional four-vane structure. The main design goals are to provide the highest possible shunt impedance while limiting the required rf power to about 120 kW for reliable cw operation, and the length to about 4 meters. If built as designed, the proposed RFQ will be the first four-vane cw RFQ built as a single cavity (no resonant coupling required) that does not require π-mode stabilizing loops or dipole rods. For this, we rely on very detailed 3D simulations of all aspects of the structure and the level of machining precision achieved on the recently developed ATLAS upgrade RFQ. A full 3D model of the structure including vane modulation was developed. The design was optimized using electromagnetic and multiphysics simulations. Following the choice of the vane type and geometry, the vane undercuts were optimized to produce a flat field along the structure. The final design has good mode separation and should not need dipole rods if built as designed, but their effect was studied in the case of manufacturing errors. The tuners were also designed and optimized to tune the main mode without affecting the field flatness. Following the electromagnetic (EM) design optimization, a multiphysics engineering analysis of the structure was performed. The multiphysics analysis is a coupled electromagnetic, thermal and mechanical analysis. The cooling channels, including their paths and sizes, were optimized based on the limiting temperature and deformation requirements. The frequency sensitivity to the RFQ body and vane cooling water temperatures was carefully studied in order to use it for frequency fine-tuning. Finally, an inductive rf power coupler design based on the ATLAS RFQ coupler was developed and simulated. The EM design optimization was performed using cst Microwave Studio and the results were verified using both hfss and ansys. The engineering analysis was performed using hfss and ansys and most of the results were verified using the newly developed cst Multiphysics package.

Discrete multi-physics simulations of diffusive and convective mass transfer in boundary layers containing motile cilia in lungs.

PubMed

Ariane, Mostapha; Kassinos, Stavros; Velaga, Sitaram; Alexiadis, Alessio

2018-04-01

In this paper, the mass transfer coefficient (permeability) of boundary layers containing motile cilia is investigated by means of discrete multi-physics. The idea is to understand the main mechanisms of mass transport occurring in a ciliated-layer; one specific application being inhaled drugs in the respiratory epithelium. The effect of drug diffusivity, cilia beat frequency and cilia flexibility is studied. Our results show the existence of three mass transfer regimes. A low frequency regime, which we called shielding regime, where the presence of the cilia hinders mass transport; an intermediate frequency regime, which we have called diffusive regime, where diffusion is the controlling mechanism; and a high frequency regime, which we have called convective regime, where the degree of bending of the cilia seems to be the most important factor controlling mass transfer in the ciliated-layer. Since the flexibility of the cilia and the frequency of the beat changes with age and health conditions, the knowledge of these three regimes allows prediction of how mass transfer varies with these factors. Copyright © 2018 Elsevier Ltd. All rights reserved.

Assessment of a Hybrid Continuous/Discontinuous Galerkin Finite Element Code for Geothermal Reservoir Simulations

DOE PAGES

Xia, Yidong; Podgorney, Robert; Huang, Hai

2016-03-17

FALCON (“Fracturing And Liquid CONvection”) is a hybrid continuous / discontinuous Galerkin finite element geothermal reservoir simulation code based on the MOOSE (“Multiphysics Object-Oriented Simulation Environment”) framework being developed and used for multiphysics applications. In the present work, a suite of verification and validation (“V&V”) test problems for FALCON was defined to meet the design requirements, and solved to the interests of enhanced geothermal system (“EGS”) design. Furthermore, the intent for this test problem suite is to provide baseline comparison data that demonstrates the performance of the FALCON solution methods. The simulation problems vary in complexity from singly mechanical ormore » thermo process, to coupled thermo-hydro-mechanical processes in geological porous media. Numerical results obtained by FALCON agreed well with either the available analytical solution or experimental data, indicating the verified and validated implementation of these capabilities in FALCON. Some form of solution verification has been attempted to identify sensitivities in the solution methods, where possible, and suggest best practices when using the FALCON code.« less

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

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

Kim, Seung Jun; Buechler, Cynthia Eileen

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

Thermo-piezo-electro-mechanical simulation of AlGaN (aluminum gallium nitride) / GaN (gallium nitride) High Electron Mobility Transistors

NASA Astrophysics Data System (ADS)

Stevens, Lorin E.

Due to the current public demand of faster, more powerful, and more reliable electronic devices, research is prolific these days in the area of high electron mobility transistor (HEMT) devices. This is because of their usefulness in RF (radio frequency) and microwave power amplifier applications including microwave vacuum tubes, cellular and personal communications services, and widespread broadband access. Although electrical transistor research has been ongoing since its inception in 1947, the transistor itself continues to evolve and improve much in part because of the many driven researchers and scientists throughout the world who are pushing the limits of what modern electronic devices can do. The purpose of the research outlined in this paper was to better understand the mechanical stresses and strains that are present in a hybrid AlGaN (Aluminum Gallium Nitride) / GaN (Gallium Nitride) HEMT, while under electrically-active conditions. One of the main issues currently being researched in these devices is their reliability, or their consistent ability to function properly, when subjected to high-power conditions. The researchers of this mechanical study have performed a static (i.e. frequency-independent) reliability analysis using powerful multiphysics computer modeling/simulation to get a better idea of what can cause failure in these devices. Because HEMT transistors are so small (micro/nano-sized), obtaining experimental measurements of stresses and strains during the active operation of these devices is extremely challenging. Physical mechanisms that cause stress/strain in these structures include thermo-structural phenomena due to mismatch in both coefficient of thermal expansion (CTE) and mechanical stiffness between different materials, as well as stress/strain caused by "piezoelectric" effects (i.e. mechanical deformation caused by an electric field, and conversely voltage induced by mechanical stress) in the AlGaN and GaN device portions (both piezoelectric materials). This piezoelectric effect can be triggered by voltage applied to the device's gate contact and the existence of an HEMT-unique "two-dimensional electron gas" (2DEG) at the GaN-AlGaN interface. COMSOL Multiphysics computer software has been utilized to create a finite element (i.e. piece-by-piece) simulation to visualize both temperature and stress/strain distributions that can occur in the device, by coupling together (i.e. solving simultaneously) the thermal, electrical, structural, and piezoelectric effects inherent in the device. The 2DEG has been modeled not with the typically-used self-consistent quantum physics analytical equations, rather as a combined localized heat source* (thermal) and surface charge density* (electrical) boundary condition. Critical values of stress/strain and their respective locations in the device have been identified. Failure locations have been estimated based on the critical values of stress and strain, and compared with reports in literature. The knowledge of the overall stress/strain distribution has assisted in determining the likely device failure mechanisms and possible mitigation approaches. The contribution and interaction of individual stress mechanisms including piezoelectric effects and thermal expansion caused by device self-heating (i.e. fast-moving electrons causing heat) have been quantified. * Values taken from results of experimental studies in literature.

Multi-scale and Multi-physics Numerical Methods for Modeling Transport in Mesoscopic Systems

DTIC Science & Technology

2014-10-13

function and wide band Fast multipole methods for Hankel waves. (2) a new linear scaling discontinuous Galerkin density functional theory, which provide a...inflow boundary condition for Wigner quantum transport equations. Also, a book titled "Computational Methods for Electromagnetic Phenomena...equationsin layered media with FMM for Bessel functions , Science China Mathematics, (12 2013): 2561. doi: TOTAL: 6 Number of Papers published in peer

Endovascular Electrodes for Electrical Stimulation of Blood Vessels for Vasoconstriction - a Finite Element Simulation Study

NASA Astrophysics Data System (ADS)

Kezurer, Noa; Farah, Nairouz; Mandel, Yossi

2016-08-01

Hemorrhagic shock accounts for 30-40 percent of trauma mortality, as bleeding may sometimes be hard to control. Application of short electrical pulses on blood vessels was recently shown to elicit robust vasoconstriction and reduction of blood loss following vascular injury. In this study we present a novel approach for vasoconstriction based on endovascular application of electrical pulses for situations where access to the vessel is limited. In addition to ease of access, we hypothesize that this novel approach will result in a localized and efficient vasoconstriction. Using computer modeling (COMSOL Multiphysics, Electric Currents Module), we studied the effect of endovascular pulsed electrical treatment on abdominal aorta of pigs, and compared the efficiency of different electrodes configurations on the electric field amplitude, homogeneity and locality when applied on a blood vessel wall. Results reveal that the optimal configuration is the endovascular approach where four electrodes are used, spaced 13 mm apart. Furthermore, computer based temperature investigations (bio-heat model, COMSOL Multiphysics) show that the maximum expected temperature rise is of 1.2 degrees; highlighting the safety of the four endovascular electrodes configuration. These results can aid in planning the application of endovascular pulsed electrical treatment as an efficient and safe vasoconstriction approach.

Progress Towards a Rad-Hydro Code for Modern Computing Architectures LA-UR-10-02825

NASA Astrophysics Data System (ADS)

Wohlbier, J. G.; Lowrie, R. B.; Bergen, B.; Calef, M.

2010-11-01

We are entering an era of high performance computing where data movement is the overwhelming bottleneck to scalable performance, as opposed to the speed of floating-point operations per processor. All multi-core hardware paradigms, whether heterogeneous or homogeneous, be it the Cell processor, GPGPU, or multi-core x86, share this common trait. In multi-physics applications such as inertial confinement fusion or astrophysics, one may be solving multi-material hydrodynamics with tabular equation of state data lookups, radiation transport, nuclear reactions, and charged particle transport in a single time cycle. The algorithms are intensely data dependent, e.g., EOS, opacity, nuclear data, and multi-core hardware memory restrictions are forcing code developers to rethink code and algorithm design. For the past two years LANL has been funding a small effort referred to as Multi-Physics on Multi-Core to explore ideas for code design as pertaining to inertial confinement fusion and astrophysics applications. The near term goals of this project are to have a multi-material radiation hydrodynamics capability, with tabular equation of state lookups, on cartesian and curvilinear block structured meshes. In the longer term we plan to add fully implicit multi-group radiation diffusion and material heat conduction, and block structured AMR. We will report on our progress to date.

Endovascular Electrodes for Electrical Stimulation of Blood Vessels for Vasoconstriction – a Finite Element Simulation Study

PubMed Central

Kezurer, Noa; Farah, Nairouz; Mandel, Yossi

2016-01-01

Hemorrhagic shock accounts for 30–40 percent of trauma mortality, as bleeding may sometimes be hard to control. Application of short electrical pulses on blood vessels was recently shown to elicit robust vasoconstriction and reduction of blood loss following vascular injury. In this study we present a novel approach for vasoconstriction based on endovascular application of electrical pulses for situations where access to the vessel is limited. In addition to ease of access, we hypothesize that this novel approach will result in a localized and efficient vasoconstriction. Using computer modeling (COMSOL Multiphysics, Electric Currents Module), we studied the effect of endovascular pulsed electrical treatment on abdominal aorta of pigs, and compared the efficiency of different electrodes configurations on the electric field amplitude, homogeneity and locality when applied on a blood vessel wall. Results reveal that the optimal configuration is the endovascular approach where four electrodes are used, spaced 13 mm apart. Furthermore, computer based temperature investigations (bio-heat model, COMSOL Multiphysics) show that the maximum expected temperature rise is of 1.2 degrees; highlighting the safety of the four endovascular electrodes configuration. These results can aid in planning the application of endovascular pulsed electrical treatment as an efficient and safe vasoconstriction approach. PMID:27534438

Petascale computation of multi-physics seismic simulations

NASA Astrophysics Data System (ADS)

Gabriel, Alice-Agnes; Madden, Elizabeth H.; Ulrich, Thomas; Wollherr, Stephanie; Duru, Kenneth C.

2017-04-01

Capturing the observed complexity of earthquake sources in concurrence with seismic wave propagation simulations is an inherently multi-scale, multi-physics problem. In this presentation, we present simulations of earthquake scenarios resolving high-detail dynamic rupture evolution and high frequency ground motion. The simulations combine a multitude of representations of model complexity; such as non-linear fault friction, thermal and fluid effects, heterogeneous fault stress and fault strength initial conditions, fault curvature and roughness, on- and off-fault non-elastic failure to capture dynamic rupture behavior at the source; and seismic wave attenuation, 3D subsurface structure and bathymetry impacting seismic wave propagation. Performing such scenarios at the necessary spatio-temporal resolution requires highly optimized and massively parallel simulation tools which can efficiently exploit HPC facilities. Our up to multi-PetaFLOP simulations are performed with SeisSol (www.seissol.org), an open-source software package based on an ADER-Discontinuous Galerkin (DG) scheme solving the seismic wave equations in velocity-stress formulation in elastic, viscoelastic, and viscoplastic media with high-order accuracy in time and space. Our flux-based implementation of frictional failure remains free of spurious oscillations. Tetrahedral unstructured meshes allow for complicated model geometry. SeisSol has been optimized on all software levels, including: assembler-level DG kernels which obtain 50% peak performance on some of the largest supercomputers worldwide; an overlapping MPI-OpenMP parallelization shadowing the multiphysics computations; usage of local time stepping; parallel input and output schemes and direct interfaces to community standard data formats. All these factors enable aim to minimise the time-to-solution. The results presented highlight the fact that modern numerical methods and hardware-aware optimization for modern supercomputers are essential to further our understanding of earthquake source physics and complement both physic-based ground motion research and empirical approaches in seismic hazard analysis. Lastly, we will conclude with an outlook on future exascale ADER-DG solvers for seismological applications.

A self-taught artificial agent for multi-physics computational model personalization.

PubMed

Neumann, Dominik; Mansi, Tommaso; Itu, Lucian; Georgescu, Bogdan; Kayvanpour, Elham; Sedaghat-Hamedani, Farbod; Amr, Ali; Haas, Jan; Katus, Hugo; Meder, Benjamin; Steidl, Stefan; Hornegger, Joachim; Comaniciu, Dorin

2016-12-01

Personalization is the process of fitting a model to patient data, a critical step towards application of multi-physics computational models in clinical practice. Designing robust personalization algorithms is often a tedious, time-consuming, model- and data-specific process. We propose to use artificial intelligence concepts to learn this task, inspired by how human experts manually perform it. The problem is reformulated in terms of reinforcement learning. In an off-line phase, Vito, our self-taught artificial agent, learns a representative decision process model through exploration of the computational model: it learns how the model behaves under change of parameters. The agent then automatically learns an optimal strategy for on-line personalization. The algorithm is model-independent; applying it to a new model requires only adjusting few hyper-parameters of the agent and defining the observations to match. The full knowledge of the model itself is not required. Vito was tested in a synthetic scenario, showing that it could learn how to optimize cost functions generically. Then Vito was applied to the inverse problem of cardiac electrophysiology and the personalization of a whole-body circulation model. The obtained results suggested that Vito could achieve equivalent, if not better goodness of fit than standard methods, while being more robust (up to 11% higher success rates) and with faster (up to seven times) convergence rate. Our artificial intelligence approach could thus make personalization algorithms generalizable and self-adaptable to any patient and any model. Copyright © 2016. Published by Elsevier B.V.

Multiscale Multiphysics and Multidomain Models I: Basic Theory

PubMed Central

Wei, Guo-Wei

2013-01-01

This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long-range Coulombic interactions, various non-electrostatic solvent-solute interactions are considered in the present modeling. We demonstrate the consistency between the non-equilibrium charge transport model and the equilibrium solvation model by showing the systematical reduction of the former to the latter at equilibrium. This paper also offers a brief review of the field. PMID:25382892

Multiscale Multiphysics and Multidomain Models I: Basic Theory.

PubMed

Wei, Guo-Wei

2013-12-01

This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long-range Coulombic interactions, various non-electrostatic solvent-solute interactions are considered in the present modeling. We demonstrate the consistency between the non-equilibrium charge transport model and the equilibrium solvation model by showing the systematical reduction of the former to the latter at equilibrium. This paper also offers a brief review of the field.

Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion

NASA Astrophysics Data System (ADS)

Philip, B.; Wang, Z.; Berrill, M. A.; Birke, M.; Pernice, M.

2014-04-01

The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

Jali - Unstructured Mesh Infrastructure for Multi-Physics Applications

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

Garimella, Rao V; Berndt, Markus; Coon, Ethan

2017-04-13

Jali is a parallel unstructured mesh infrastructure library designed for use by multi-physics simulations. It supports 2D and 3D arbitrary polyhedral meshes distributed over hundreds to thousands of nodes. Jali can read write Exodus II meshes along with fields and sets on the mesh and support for other formats is partially implemented or is (https://github.com/MeshToolkit/MSTK), an open source general purpose unstructured mesh infrastructure library from Los Alamos National Laboratory. While it has been made to work with other mesh frameworks such as MOAB and STKmesh in the past, support for maintaining the interface to these frameworks has been suspended formore » now. Jali supports distributed as well as on-node parallelism. Support of on-node parallelism is through direct use of the the mesh in multi-threaded constructs or through the use of "tiles" which are submeshes or sub-partitions of a partition destined for a compute node.« less

VERAIn

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

Simunovic, Srdjan

2015-02-16

CASL's modeling and simulation technology, the Virtual Environment for Reactor Applications (VERA), incorporates coupled physics and science-based models, state-of-the-art numerical methods, modern computational science, integrated uncertainty quantification (UQ) and validation against data from operating pressurized water reactors (PWRs), single-effect experiments, and integral tests. The computational simulation component of VERA is the VERA Core Simulator (VERA-CS). The core simulator is the specific collection of multi-physics computer codes used to model and deplete a LWR core over multiple cycles. The core simulator has a single common input file that drives all of the different physics codes. The parser code, VERAIn, converts VERAmore » Input into an XML file that is used as input to different VERA codes.« less

Multiphysics Analysis of a Solid-Core Nuclear Thermal Engine Thrust Chamber

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Canabal, Francisco; Cheng, Gary; Chen, Yen-Sen

2006-01-01

The objective of this effort is to develop an efficient and accurate thermo-fluid computational methodology to predict environments for a hypothetical solid-core, nuclear thermal engine thrust chamber. The computational methodology is based on an unstructured-grid, pressure-based computational fluid dynamics methodology. Formulations for heat transfer in solids and porous media were implemented and anchored. A two-pronged approach was employed in this effort: A detailed thermo-fluid analysis on a multi-channel flow element for mid-section corrosion investigation; and a global modeling of the thrust chamber to understand the effect of hydrogen dissociation and recombination on heat transfer and thrust performance. The formulations and preliminary results on both aspects are presented.

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.

Ballistic-Failure Mechanisms in Gas Metal Arc Welds of Mil A46100 Armor-Grade Steel: A Computational Investigation

NASA Astrophysics Data System (ADS)

Grujicic, M.; Snipes, J. S.; Galgalikar, R.; Ramaswami, S.; Yavari, R.; Yen, C.-F.; Cheeseman, B. A.

2014-09-01

In our recent work, a multi-physics computational model for the conventional gas metal arc welding (GMAW) joining process was introduced. The model is of a modular type and comprises five modules, each designed to handle a specific aspect of the GMAW process, i.e.: (i) electro-dynamics of the welding-gun; (ii) radiation-/convection-controlled heat transfer from the electric-arc to the workpiece and mass transfer from the filler-metal consumable electrode to the weld; (iii) prediction of the temporal evolution and the spatial distribution of thermal and mechanical fields within the weld region during the GMAW joining process; (iv) the resulting temporal evolution and spatial distribution of the material microstructure throughout the weld region; and (v) spatial distribution of the as-welded material mechanical properties. In the present work, the GMAW process model has been upgraded with respect to its predictive capabilities regarding the spatial distribution of the mechanical properties controlling the ballistic-limit (i.e., penetration-resistance) of the weld. The model is upgraded through the introduction of the sixth module in the present work in recognition of the fact that in thick steel GMAW weldments, the overall ballistic performance of the armor may become controlled by the (often inferior) ballistic limits of its weld (fusion and heat-affected) zones. To demonstrate the utility of the upgraded GMAW process model, it is next applied to the case of butt-welding of a prototypical high-hardness armor-grade martensitic steel, MIL A46100. The model predictions concerning the spatial distribution of the material microstructure and ballistic-limit-controlling mechanical properties within the MIL A46100 butt-weld are found to be consistent with prior observations and general expectations.

Atomistic to Continuum Multiscale and Multiphysics Simulation of NiTi Shape Memory Alloy

NASA Astrophysics Data System (ADS)

Gur, Sourav

Shape memory alloys (SMAs) are materials that show reversible, thermo-elastic, diffusionless, displacive (solid to solid) phase transformation, due to the application of temperature and/ or stress (/strain). Among different SMAs, NiTi is a popular one. NiTi shows reversible phase transformation, the shape memory effect (SME), where irreversible deformations are recovered upon heating, and superelasticity (SE), where large strains imposed at high enough temperatures are fully recovered. Phase transformation process in NiTi SMA is a very complex process that involves the competition between developed internal strain and phonon dispersion instability. In NiTi SMA, phase transformation occurs over a wide range of temperature and/ or stress (strain) which involves, evolution of different crystalline phases (cubic austenite i.e. B2, different monoclinic variant of martensite i.e. B19', and orthorhombic B19 or BCO structures). Further, it is observed from experimental and computational studies that the evolution kinetics and growth rate of different phases in NiTi SMA vary significantly over a wide spectrum of spatio-temporal scales, especially with length scales. At nano-meter length scale, phase transformation temperatures, critical transformation stress (or strain) and phase fraction evolution change significantly with sample or simulation cell size and grain size. Even, below a critical length scale, the phase transformation process stops. All these aspects make NiTi SMA very interesting to the science and engineering research community and in this context, the present focuses on the following aspects. At first this study address the stability, evolution and growth kinetics of different phases (B2 and variants of B19'), at different length scales, starting from the atomic level and ending at the continuum macroscopic level. The effects of simulation cell size, grain size, and presence of free surface and grain boundary on the phase transformation process (transformation temperature, phase fraction evolution kinetics due to temperature) are also demonstrated herein. Next, to couple and transfer the statistical information of length scale dependent phase transformation process, multiscale/ multiphysics methods are used. Here, the computational difficulty from the fact that the representative governing equations (i.e. different sub-methods such as molecular dynamics simulations, phase field simulations and continuum level constitutive/ material models) are only valid or can be implemented over a range of spatiotemporal scales. Therefore, in the present study, a wavelet based multiscale coupling method is used, where simulation results (phase fraction evolution kinetics) from different sub-methods are linked via concurrent multiscale coupling fashion. Finally, these multiscale/ multiphysics simulation results are used to develop/ modify the macro/ continuum scale thermo-mechanical constitutive relations for NiTi SMA. Finally, the improved material model is used to model new devices, such as thermal diodes and smart dampers.

Analyzing the relationships between reflection source DPOAEs and SFOAEs using a computational model

NASA Astrophysics Data System (ADS)

Wen, Haiqi; Bowling, Thomas; Meaud, Julien

2018-05-01

Distortion product otoacoustic emissions (DPOAEs) are sounds generated by the cochlea in response to a stimulus that consists of two primary tones. DPOAEs consist of a mixture of emissions arising from two different mechanisms: nonlinear distortion and coherent reflection. Stimulus Frequency Otoacoustic Emissions (SFOAEs) are sounds generated by the cochlea in response to a pure tone; SFOAEs are commonly hypothesized to be generated due to coherent reflection. Nonlinearity of the outer hair cells (OHCs) provides nonlinear amplification to the traveling wave while reflections occur due to pre-existing micromechanical impedance perturbations. In this work, DPOAEs are obtained from a time domain computational model coupling a lumped parameter middle ear model with a multiphysics mechanical-electrical-acoustical model of cochlea. Cochlear roughness is intro-duced by perturbing the value of the OHC electromechanical coupling coefficient to account for the putative inhomogeneities inside the cochlea. The DPOAEs emitted in the ear canal are decomposed into distortion source and reflection source components. The reflection source component of DPOAEs is compared to SFOAEs obtained using a frequency-domain implementation of the model, to help us understand how distortion source and reflection source contributes to total DPOAEs. Moreover, the group delays of reflection sources OAEs are compared to group delays in the basilar membrane velocity to clarify the relationship between basilar membrane and OAE group delays.

Advances in High-Fidelity Multi-Physics Simulation Techniques

DTIC Science & Technology

2008-01-01

predictor - corrector method is used to advance the solution in time. 33 x (m) y (m ) 0 1 2 3.00001 0 1 2 3 4 5 40 x 50 Grid 3 Figure 17: Typical...Unclassified c . THIS PAGE Unclassified 17. LIMITATION OF ABSTRACT: SAR 18. NUMBER OF PAGES 60 Datta Gaitonde 19b. TELEPHONE...advanced parallel computing platforms. The motivation to develop high-fidelity algorithms derives from considerations in various areas of current

Wide-field Imaging System and Rapid Direction of Optical Zoom (WOZ)

DTIC Science & Technology

2010-09-25

commercial software packages: SolidWorks, COMSOL Multiphysics, and ZEMAX optical design. SolidWorks is a computer aided design package, which as a live...interface to COMSOL. COMSOL is a finite element analysis/partial differential equation solver. ZEMAX is an optical design package. Both COMSOL and... ZEMAX have live interfaces to MatLab. Our initial investigations have enabled a model in SolidWorks to be updated in COMSOL, an FEA calculation

Combined inverse-forward artificial neural networks for fast and accurate estimation of the diffusion coefficients of cartilage based on multi-physics models.

PubMed

Arbabi, Vahid; Pouran, Behdad; Weinans, Harrie; Zadpoor, Amir A

2016-09-06

Analytical and numerical methods have been used to extract essential engineering parameters such as elastic modulus, Poisson׳s ratio, permeability and diffusion coefficient from experimental data in various types of biological tissues. The major limitation associated with analytical techniques is that they are often only applicable to problems with simplified assumptions. Numerical multi-physics methods, on the other hand, enable minimizing the simplified assumptions but require substantial computational expertise, which is not always available. In this paper, we propose a novel approach that combines inverse and forward artificial neural networks (ANNs) which enables fast and accurate estimation of the diffusion coefficient of cartilage without any need for computational modeling. In this approach, an inverse ANN is trained using our multi-zone biphasic-solute finite-bath computational model of diffusion in cartilage to estimate the diffusion coefficient of the various zones of cartilage given the concentration-time curves. Robust estimation of the diffusion coefficients, however, requires introducing certain levels of stochastic variations during the training process. Determining the required level of stochastic variation is performed by coupling the inverse ANN with a forward ANN that receives the diffusion coefficient as input and returns the concentration-time curve as output. Combined together, forward-inverse ANNs enable computationally inexperienced users to obtain accurate and fast estimation of the diffusion coefficients of cartilage zones. The diffusion coefficients estimated using the proposed approach are compared with those determined using direct scanning of the parameter space as the optimization approach. It has been shown that both approaches yield comparable results. Copyright © 2016 Elsevier Ltd. All rights reserved.

Multi-Physics Computational Grains (MPCGs): Newly-Developed Accurate and Efficient Numerical Methods for Micromechanical Modeling of Multifunctional Materials and Composites

NASA Astrophysics Data System (ADS)

Bishay, Peter L.

This study presents a new family of highly accurate and efficient computational methods for modeling the multi-physics of multifunctional materials and composites in the micro-scale named "Multi-Physics Computational Grains" (MPCGs). Each "mathematical grain" has a random polygonal/polyhedral geometrical shape that resembles the natural shapes of the material grains in the micro-scale where each grain is surrounded by an arbitrary number of neighboring grains. The physics that are incorporated in this study include: Linear Elasticity, Electrostatics, Magnetostatics, Piezoelectricity, Piezomagnetism and Ferroelectricity. However, the methods proposed here can be extended to include more physics (thermo-elasticity, pyroelectricity, electric conduction, heat conduction, etc.) in their formulation, different analysis types (dynamics, fracture, fatigue, etc.), nonlinearities, different defect shapes, and some of the 2D methods can also be extended to 3D formulation. We present "Multi-Region Trefftz Collocation Grains" (MTCGs) as a simple and efficient method for direct and inverse problems, "Trefftz-Lekhnitskii Computational Gains" (TLCGs) for modeling porous and composite smart materials, "Hybrid Displacement Computational Grains" (HDCGs) as a general method for modeling multifunctional materials and composites, and finally "Radial-Basis-Functions Computational Grains" (RBFCGs) for modeling functionally-graded materials, magneto-electro-elastic (MEE) materials and the switching phenomena in ferroelectric materials. The first three proposed methods are suitable for direct numerical simulation (DNS) of the micromechanics of smart composite/porous materials with non-symmetrical arrangement of voids/inclusions, and provide minimal effort in meshing and minimal time in computations, since each grain can represent the matrix of a composite and can include a pore or an inclusion. The last three methods provide stiffness matrix in their formulation and hence can be readily implemented in a finite element routine. Several numerical examples are provided to show the ability and accuracy of the proposed methods to determine the effective material properties of different types of piezo-composites, and detect the damage-prone sites in a microstructure under certain loading types. The last method (RBFCGs) is also suitable for modeling the switching phenomena in ferro-materials (ferroelectric, ferromagnetic, etc.) after incorporating a certain nonlinear constitutive model and a switching criterion. Since the interaction between grains during loading cycles has a profound influence on the switching phenomena, it is important to simulate the grains with geometrical shapes that are similar to the real shapes of grains as seen in lab experiments. Hence the use of the 3D RBFCGs, which allow for the presence of all the six variants of the constitutive relations, together with the randomly generated crystallographic axes in each grain, as done in the present study, is considered to be the most realistic model that can be used for the direct mesoscale numerical simulation (DMNS) of polycrystalline ferro-materials.

Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials

NASA Technical Reports Server (NTRS)

Liou, Frank; Newkirk, Joseph; Fan, Zhiqiang; Sparks, Todd; Chen, Xueyang; Fletcher, Kenneth; Zhang, Jingwei; Zhang, Yunlu; Kumar, Kannan Suresh; Karnati, Sreekar

2015-01-01

The objective of this proposed project is to research and develop a prediction tool for advanced additive manufacturing (AAM) processes for advanced materials and develop experimental methods to provide fundamental properties and establish validation data. Aircraft structures and engines demand materials that are stronger, useable at much higher temperatures, provide less acoustic transmission, and enable more aeroelastic tailoring than those currently used. Significant improvements in properties can only be achieved by processing the materials under nonequilibrium conditions, such as AAM processes. AAM processes encompass a class of processes that use a focused heat source to create a melt pool on a substrate. Examples include Electron Beam Freeform Fabrication and Direct Metal Deposition. These types of additive processes enable fabrication of parts directly from CAD drawings. To achieve the desired material properties and geometries of the final structure, assessing the impact of process parameters and predicting optimized conditions with numerical modeling as an effective prediction tool is necessary. The targets for the processing are multiple and at different spatial scales, and the physical phenomena associated occur in multiphysics and multiscale. In this project, the research work has been developed to model AAM processes in a multiscale and multiphysics approach. A macroscale model was developed to investigate the residual stresses and distortion in AAM processes. A sequentially coupled, thermomechanical, finite element model was developed and validated experimentally. The results showed the temperature distribution, residual stress, and deformation within the formed deposits and substrates. A mesoscale model was developed to include heat transfer, phase change with mushy zone, incompressible free surface flow, solute redistribution, and surface tension. Because of excessive computing time needed, a parallel computing approach was also tested. In addition, after investigating various methods, a Smoothed Particle Hydrodynamics Model (SPH Model) was developed to model wire feeding process. Its computational efficiency and simple architecture makes it more robust and flexible than other models. More research on material properties may be needed to realistically model the AAM processes. A microscale model was developed to investigate heterogeneous nucleation, dendritic grain growth, epitaxial growth of columnar grains, columnar-to-equiaxed transition, grain transport in melt, and other properties. The orientations of the columnar grains were almost perpendicular to the laser motion's direction. Compared to the similar studies in the literature, the multiple grain morphology modeling result is in the same order of magnitude as optical morphologies in the experiment. Experimental work was conducted to validate different models. An infrared camera was incorporated as a process monitoring and validating tool to identify the solidus and mushy zones during deposition. The images were successfully processed to identify these regions. This research project has investigated multiscale and multiphysics of the complex AAM processes thus leading to advanced understanding of these processes. The project has also developed several modeling tools and experimental validation tools that will be very critical in the future of AAM process qualification and certification.

Computer Simulation and Modeling of CO2 Removal Systems for Exploration 2013-2014

NASA Technical Reports Server (NTRS)

Coker, R.; Knox, J.; Gomez, C.

2015-01-01

The Atmosphere Revitalization Recovery and Environmental Monitoring (ARREM) project was initiated in September of 2011 as part of the Advanced Exploration Systems (AES) program. Under the ARREM project and the follow-on Life Support Systems (LSS) project, testing of sub-scale and full-scale systems has been combined with multiphysics computer simulations for evaluation and optimization of subsystem approaches. In particular, this paper will describes the testing and 1-D modeling of the combined water desiccant and carbon dioxide sorbent subsystems of the carbon dioxide removal assembly (CDRA). The goal is a full system predictive model of CDRA to guide system optimization and development.

Optimization of coupled multiphysics methodology for safety analysis of pebble bed modular reactor

NASA Astrophysics Data System (ADS)

Mkhabela, Peter Tshepo

The research conducted within the framework of this PhD thesis is devoted to the high-fidelity multi-physics (based on neutronics/thermal-hydraulics coupling) analysis of Pebble Bed Modular Reactor (PBMR), which is a High Temperature Reactor (HTR). The Next Generation Nuclear Plant (NGNP) will be a HTR design. The core design and safety analysis methods are considerably less developed and mature for HTR analysis than those currently used for Light Water Reactors (LWRs). Compared to LWRs, the HTR transient analysis is more demanding since it requires proper treatment of both slower and much longer transients (of time scale in hours and days) and fast and short transients (of time scale in minutes and seconds). There is limited operation and experimental data available for HTRs for validation of coupled multi-physics methodologies. This PhD work developed and verified reliable high fidelity coupled multi-physics models subsequently implemented in robust, efficient, and accurate computational tools to analyse the neutronics and thermal-hydraulic behaviour for design optimization and safety evaluation of PBMR concept The study provided a contribution to a greater accuracy of neutronics calculations by including the feedback from thermal hydraulics driven temperature calculation and various multi-physics effects that can influence it. Consideration of the feedback due to the influence of leakage was taken into account by development and implementation of improved buckling feedback models. Modifications were made in the calculation procedure to ensure that the xenon depletion models were accurate for proper interpolation from cross section tables. To achieve this, the NEM/THERMIX coupled code system was developed to create the system that is efficient and stable over the duration of transient calculations that last over several tens of hours. Another achievement of the PhD thesis was development and demonstration of full-physics, three-dimensional safety analysis methodology for the PBMR to provide reference solutions. Investigation of different aspects of the coupled methodology and development of efficient kinetics treatment for the PBMR were carried out, which accounts for all feedback phenomena in an efficient manner. The OECD/NEA PBMR-400 coupled code benchmark was used as a test matrix for the proposed investigations. The integrated thermal-hydraulics and neutronics (multi-physics) methods were extended to enable modeling of a wider range of transients pertinent to the PBMR. First, the effect of the spatial mapping schemes (spatial coupling) was studied and quantified for different types of transients, which resulted in implementation of improved mapping methodology based on user defined criteria. The second aspect that was studied and optimized is the temporal coupling and meshing schemes between the neutronics and thermal-hydraulics time step selection algorithms. The coupled code convergence was achieved supplemented by application of methods to accelerate it. Finally, the modeling of all feedback phenomena in PBMRs was investigated and a novel treatment of cross-section dependencies was introduced for improving the representation of cross-section variations. The added benefit was that in the process of studying and improving the coupled multi-physics methodology more insight was gained into the physics and dynamics of PBMR, which will help also to optimize the PBMR design and improve its safety. One unique contribution of the PhD research is the investigation of the importance of the correct representation of the three-dimensional (3-D) effects in the PBMR analysis. The performed studies demonstrated that explicit 3-D modeling of control rod movement is superior and removes the errors associated with the grey curtain (2-D homogenized) approximation.

A Multiphysics Finite Element and Peridynamics Model of Dielectric Breakdown

DTIC Science & Technology

2017-09-01

A method for simulating dielectric breakdown in solid materials is presented that couples electro-quasi-statics, the adiabatic heat equation, and...temperatures or high strains. The Kelvin force computation used in the method is verified against a 1-D solution and the linearization scheme used to treat the...plane problems, a 2-D composite capacitor with a conductive flaw, and a 3-D point–plane problem. The results show that the method is capable of

An Integrative Model of the Cardiovascular System Coupling Heart Cellular Mechanics with Arterial Network Hemodynamics

PubMed Central

Kim, Young-Tae; Lee, Jeong Sang; Youn, Chan-Hyun; Choi, Jae-Sung

2013-01-01

The current study proposes a model of the cardiovascular system that couples heart cell mechanics with arterial hemodynamics to examine the physiological role of arterial blood pressure (BP) in left ventricular hypertrophy (LVH). We developed a comprehensive multiphysics and multiscale cardiovascular model of the cardiovascular system that simulates physiological events, from membrane excitation and the contraction of a cardiac cell to heart mechanics and arterial blood hemodynamics. Using this model, we delineated the relationship between arterial BP or pulse wave velocity and LVH. Computed results were compared with existing clinical and experimental observations. To investigate the relationship between arterial hemodynamics and LVH, we performed a parametric study based on arterial wall stiffness, which was obtained in the model. Peak cellular stress of the left ventricle and systolic blood pressure (SBP) in the brachial and central arteries also increased; however, further increases were limited for higher arterial stiffness values. Interestingly, when we doubled the value of arterial stiffness from the baseline value, the percentage increase of SBP in the central artery was about 6.7% whereas that of the brachial artery was about 3.4%. It is suggested that SBP in the central artery is more critical for predicting LVH as compared with other blood pressure measurements. PMID:23960442

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

None, None

The Second SIAM Conference on Computational Science and Engineering was held in San Diego from February 10-12, 2003. Total conference attendance was 553. This is a 23% increase in attendance over the first conference. The focus of this conference was to draw attention to the tremendous range of major computational efforts on large problems in science and engineering, to promote the interdisciplinary culture required to meet these large-scale challenges, and to encourage the training of the next generation of computational scientists. Computational Science & Engineering (CS&E) is now widely accepted, along with theory and experiment, as a crucial third modemore » of scientific investigation and engineering design. Aerospace, automotive, biological, chemical, semiconductor, and other industrial sectors now rely on simulation for technical decision support. For federal agencies also, CS&E has become an essential support for decisions on resources, transportation, and defense. CS&E is, by nature, interdisciplinary. It grows out of physical applications and it depends on computer architecture, but at its heart are powerful numerical algorithms and sophisticated computer science techniques. From an applied mathematics perspective, much of CS&E has involved analysis, but the future surely includes optimization and design, especially in the presence of uncertainty. Another mathematical frontier is the assimilation of very large data sets through such techniques as adaptive multi-resolution, automated feature search, and low-dimensional parameterization. The themes of the 2003 conference included, but were not limited to: Advanced Discretization Methods; Computational Biology and Bioinformatics; Computational Chemistry and Chemical Engineering; Computational Earth and Atmospheric Sciences; Computational Electromagnetics; Computational Fluid Dynamics; Computational Medicine and Bioengineering; Computational Physics and Astrophysics; Computational Solid Mechanics and Materials; CS&E Education; Meshing and Adaptivity; Multiscale and Multiphysics Problems; Numerical Algorithms for CS&E; Discrete and Combinatorial Algorithms for CS&E; Inverse Problems; Optimal Design, Optimal Control, and Inverse Problems; Parallel and Distributed Computing; Problem-Solving Environments; Software and Wddleware Systems; Uncertainty Estimation and Sensitivity Analysis; and Visualization and Computer Graphics.« less

SHARP User Manual

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

Yu, Y. Q.; Shemon, E. R.; Thomas, J. W.

SHARP is an advanced modeling and simulation toolkit for the analysis of nuclear reactors. It is comprised of several components including physical modeling tools, tools to integrate the physics codes for multi-physics analyses, and a set of tools to couple the codes within the MOAB framework. Physics modules currently include the neutronics code PROTEUS, the thermal-hydraulics code Nek5000, and the structural mechanics code Diablo. This manual focuses on performing multi-physics calculations with the SHARP ToolKit. Manuals for the three individual physics modules are available with the SHARP distribution to help the user to either carry out the primary multi-physics calculationmore » with basic knowledge or perform further advanced development with in-depth knowledge of these codes. This manual provides step-by-step instructions on employing SHARP, including how to download and install the code, how to build the drivers for a test case, how to perform a calculation and how to visualize the results. Since SHARP has some specific library and environment dependencies, it is highly recommended that the user read this manual prior to installing SHARP. Verification tests cases are included to check proper installation of each module. It is suggested that the new user should first follow the step-by-step instructions provided for a test problem in this manual to understand the basic procedure of using SHARP before using SHARP for his/her own analysis. Both reference output and scripts are provided along with the test cases in order to verify correct installation and execution of the SHARP package. At the end of this manual, detailed instructions are provided on how to create a new test case so that user can perform novel multi-physics calculations with SHARP. Frequently asked questions are listed at the end of this manual to help the user to troubleshoot issues.« less

GOMA 6.0 :

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

Schunk, Peter Randall; Rao, Rekha Ranjana; Chen, Ken S

Goma 6.0 is a finite element program which excels in analyses of multiphysical processes, particularly those involving the major branches of mechanics (viz. fluid/solid mechanics, energy transport and chemical species transport). Goma is based on a full-Newton-coupled algorithm which allows for simultaneous solution of the governing principles, making the code ideally suited for problems involving closely coupled bulk mechanics and interfacial phenomena. Example applications include, but are not limited to, coating and polymer processing flows, super-alloy processing, welding/soldering, electrochemical processes, and solid-network or solution film drying. This document serves as a users guide and reference.

Optimizing LX-17 Thermal Decomposition Model Parameters with Evolutionary Algorithms

NASA Astrophysics Data System (ADS)

Moore, Jason; McClelland, Matthew; Tarver, Craig; Hsu, Peter; Springer, H. Keo

2017-06-01

We investigate and model the cook-off behavior of LX-17 because this knowledge is critical to understanding system response in abnormal thermal environments. Thermal decomposition of LX-17 has been explored in conventional ODTX (One-Dimensional Time-to-eXplosion), PODTX (ODTX with pressure-measurement), TGA (thermogravimetric analysis), and DSC (differential scanning calorimetry) experiments using varied temperature profiles. These experimental data are the basis for developing multiple reaction schemes with coupled mechanics in LLNL's multi-physics hydrocode, ALE3D (Arbitrary Lagrangian-Eulerian code in 2D and 3D). We employ evolutionary algorithms to optimize reaction rate parameters on high performance computing clusters. Once experimentally validated, this model will be scalable to a number of applications involving LX-17 and can be used to develop more sophisticated experimental methods. Furthermore, the optimization methodology developed herein should be applicable to other high explosive materials. This work was performed under the auspices of the U.S. DOE by LLNL under contract DE-AC52-07NA27344. LLNS, LLC.

Methodology Development for Passive Component Reliability Modeling in a Multi-Physics Simulation Environment

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

Aldemir, Tunc; Denning, Richard; Catalyurek, Umit

Reduction in safety margin can be expected as passive structures and components undergo degradation with time. Limitations in the traditional probabilistic risk assessment (PRA) methodology constrain its value as an effective tool to address the impact of aging effects on risk and for quantifying the impact of aging management strategies in maintaining safety margins. A methodology has been developed to address multiple aging mechanisms involving large numbers of components (with possibly statistically dependent failures) within the PRA framework in a computationally feasible manner when the sequencing of events is conditioned on the physical conditions predicted in a simulation environment, suchmore » as the New Generation System Code (NGSC) concept. Both epistemic and aleatory uncertainties can be accounted for within the same phenomenological framework and maintenance can be accounted for in a coherent fashion. The framework accommodates the prospective impacts of various intervention strategies such as testing, maintenance, and refurbishment. The methodology is illustrated with several examples.« less

New Insights into Perfluorinated Sulfonic-Acid Ionomers

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

Kusoglu, Ahmet; Weber, Adam Z.

In this comprehensive review, recent progress and developments on perfluorinated sulfonic-acid (PFSA) membranes have been summarized on many key topics. Although quite well investigated for decades, PFSA ionomers’ complex behavior, along with their key role in many emerging technologies, have presented significant scientific challenges but also helped create a unique cross-disciplinary research field to overcome such challenges. Research and progress on PFSAs, especially when considered with their applications, are at the forefront of bridging electrochemistry and polymer (physics), which have also opened up development of state-of-the-art in situ characterization techniques as well as multiphysics computation models. Topics reviewed stem frommore » correlating the various physical (e.g., mechanical) and transport properties with morphology and structure across time and length scales. In addition, topics of recent interest such as structure/transport correlations and modeling, composite PFSA membranes, degradation phenomena, and PFSA thin films are presented. Throughout, the impact of PFSA chemistry and side-chain is also discussed to present a broader perspective.« less

High Precision Thermal, Structural and Optical Analysis of an External Occulter Using a Common Model and the General Purpose Multi-Physics Analysis Tool Cielo

NASA Technical Reports Server (NTRS)

Hoff, Claus; Cady, Eric; Chainyk, Mike; Kissil, Andrew; Levine, Marie; Moore, Greg

2011-01-01

The efficient simulation of multidisciplinary thermo-opto-mechanical effects in precision deployable systems has for years been limited by numerical toolsets that do not necessarily share the same finite element basis, level of mesh discretization, data formats, or compute platforms. Cielo, a general purpose integrated modeling tool funded by the Jet Propulsion Laboratory and the Exoplanet Exploration Program, addresses shortcomings in the current state of the art via features that enable the use of a single, common model for thermal, structural and optical aberration analysis, producing results of greater accuracy, without the need for results interpolation or mapping. This paper will highlight some of these advances, and will demonstrate them within the context of detailed external occulter analyses, focusing on in-plane deformations of the petal edges for both steady-state and transient conditions, with subsequent optical performance metrics including intensity distributions at the pupil and image plane.

New Insights into Perfluorinated Sulfonic-Acid Ionomers

DOE PAGES

Kusoglu, Ahmet; Weber, Adam Z.

2017-01-23

In this comprehensive review, recent progress and developments on perfluorinated sulfonic-acid (PFSA) membranes have been summarized on many key topics. Although quite well investigated for decades, PFSA ionomers’ complex behavior, along with their key role in many emerging technologies, have presented significant scientific challenges but also helped create a unique cross-disciplinary research field to overcome such challenges. Research and progress on PFSAs, especially when considered with their applications, are at the forefront of bridging electrochemistry and polymer (physics), which have also opened up development of state-of-the-art in situ characterization techniques as well as multiphysics computation models. Topics reviewed stem frommore » correlating the various physical (e.g., mechanical) and transport properties with morphology and structure across time and length scales. In addition, topics of recent interest such as structure/transport correlations and modeling, composite PFSA membranes, degradation phenomena, and PFSA thin films are presented. Throughout, the impact of PFSA chemistry and side-chain is also discussed to present a broader perspective.« less

Flexible parallel implicit modelling of coupled thermal-hydraulic-mechanical processes in fractured rocks

NASA Astrophysics Data System (ADS)

Cacace, Mauro; Jacquey, Antoine B.

2017-09-01

Theory and numerical implementation describing groundwater flow and the transport of heat and solute mass in fully saturated fractured rocks with elasto-plastic mechanical feedbacks are developed. In our formulation, fractures are considered as being of lower dimension than the hosting deformable porous rock and we consider their hydraulic and mechanical apertures as scaling parameters to ensure continuous exchange of fluid mass and energy within the fracture-solid matrix system. The coupled system of equations is implemented in a new simulator code that makes use of a Galerkin finite-element technique. The code builds on a flexible, object-oriented numerical framework (MOOSE, Multiphysics Object Oriented Simulation Environment) which provides an extensive scalable parallel and implicit coupling to solve for the multiphysics problem. The governing equations of groundwater flow, heat and mass transport, and rock deformation are solved in a weak sense (either by classical Newton-Raphson or by free Jacobian inexact Newton-Krylow schemes) on an underlying unstructured mesh. Nonlinear feedbacks among the active processes are enforced by considering evolving fluid and rock properties depending on the thermo-hydro-mechanical state of the system and the local structure, i.e. degree of connectivity, of the fracture system. A suite of applications is presented to illustrate the flexibility and capability of the new simulator to address problems of increasing complexity and occurring at different spatial (from centimetres to tens of kilometres) and temporal scales (from minutes to hundreds of years).

Development of FAST.Farm: A New Multiphysics Engineering Tool for Wind Farm Design and Analysis: Preprint

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

Jonkman, Jason; Annoni, Jennifer; Hayman, Greg

2017-01-01

This paper presents the development of FAST.Farm, a new multiphysics tool applicable to engineering problems in research and industry involving wind farm performance and cost optimization that is needed to address the current underperformance, failures, and expenses plaguing the wind industry. Achieving wind cost-of-energy targets - which requires improvements in wind farm performance and reliability, together with reduced uncertainty and expenditures - has been eluded by the complicated nature of the wind farm design problem, especially the sophisticated interaction between atmospheric phenomena and wake dynamics and array effects. FAST.Farm aims to balance the need for accurate modeling of the relevantmore » physics for predicting power performance and loads while maintaining low computational cost to support a highly iterative and probabilistic design process and system-wide optimization. FAST.Farm makes use of FAST to model the aero-hydro-servo-elastics of distinct turbines in the wind farm, and it is based on some of the principles of the Dynamic Wake Meandering (DWM) model, but avoids many of the limitations of existing DWM implementations.« less

Numerical modeling of the fetal blood flow in the placental circulatory system

NASA Astrophysics Data System (ADS)

Shannon, Alexander; Gallucci, Sergio; Mirbod, Parisa

2015-11-01

The placenta is a unique organ of exchange between the growing fetus and the mother. It incorporates almost all functions of the adult body, acting as the fetal lung, digestive and immune systems, to mention a few. The exchange of oxygen and nutrients takes place at the surface of the villous tree. Using an idealized geometry of the fetal villous trees in the mouse placenta, in this study we performed 3D computational analysis of the unsteady fetal blood flow, gas, and nutrient transport over the chorionic plate. The fetal blood was treated as an incompressible Newtonian fluid, and the oxygen and nutrient were treated as a passive scalar dissolved in blood plasma. The flow was laminar, and a commercial CFD code (COMSOL Multiphysics) has been used for the simulation. COMSOL has been selected because it is multi-physics FEM software that allows for the seamless coupling of different physics represented by partial differential equations. The results clearly illustrate that the specific branching pattern and the in-plane curvature of the fetal villous trees affect the delivery of blood, gas and nutrient transport to the whole placenta.

Physics-based multiscale coupling for full core nuclear reactor simulation

DOE PAGES

Gaston, Derek R.; Permann, Cody J.; Peterson, John W.; ...

2015-10-01

Numerical simulation of nuclear reactors is a key technology in the quest for improvements in efficiency, safety, and reliability of both existing and future reactor designs. Historically, simulation of an entire reactor was accomplished by linking together multiple existing codes that each simulated a subset of the relevant multiphysics phenomena. Recent advances in the MOOSE (Multiphysics Object Oriented Simulation Environment) framework have enabled a new approach: multiple domain-specific applications, all built on the same software framework, are efficiently linked to create a cohesive application. This is accomplished with a flexible coupling capability that allows for a variety of different datamore » exchanges to occur simultaneously on high performance parallel computational hardware. Examples based on the KAIST-3A benchmark core, as well as a simplified Westinghouse AP-1000 configuration, demonstrate the power of this new framework for tackling—in a coupled, multiscale manner—crucial reactor phenomena such as CRUD-induced power shift and fuel shuffle. 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-SA license« less

Multiphysics Object Oriented Simulation Environment

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

The Multiphysics Object Oriented Simulation Environment (MOOSE) software library developed at Idaho National Laboratory is a tool. MOOSE, like other tools, doesn't actually complete a task. Instead, MOOSE seeks to reduce the effort required to create engineering simulation applications. MOOSE itself is a software library: a blank canvas upon which you write equations and then MOOSE can help you solve them. MOOSE is comparable to a spreadsheet application. A spreadsheet, by itself, doesn't do anything. Only once equations are entered into it will a spreadsheet application compute anything. Such is the same for MOOSE. An engineer or scientist can utilizemore » the equation solvers within MOOSE to solve equations related to their area of study. For instance, a geomechanical scientist can input equations related to water flow in underground reservoirs and MOOSE can solve those equations to give the scientist an idea of how water could move over time. An engineer might input equations related to the forces in steel beams in order to understand the load bearing capacity of a bridge. Because MOOSE is a blank canvas it can be useful in many scientific and engineering pursuits.« less

Evaluation of a Post-Processing Approach for Multiscale Analysis of Biphasic Mechanics of Chondrocytes

PubMed Central

Sibole, Scott C.; Maas, Steve; Halloran, Jason P.; Weiss, Jeffrey A.; Erdemir, Ahmet

2014-01-01

Understanding the mechanical behavior of chondrocytes as a result of cartilage tissue mechanics has significant implications for both evaluation of mechanobiological function and to elaborate on damage mechanisms. A common procedure for prediction of chondrocyte mechanics (and of cell mechanics in general) relies on a computational post-processing approach where tissue level deformations drive cell level models. Potential loss of information in this numerical coupling approach may cause erroneous cellular scale results, particularly during multiphysics analysis of cartilage. The goal of this study was to evaluate the capacity of 1st and 2nd order data passing to predict chondrocyte mechanics by analyzing cartilage deformations obtained for varying complexity of loading scenarios. A tissue scale model with a sub-region incorporating representation of chondron size and distribution served as control. The postprocessing approach first required solution of a homogeneous tissue level model, results of which were used to drive a separate cell level model (same characteristics as the subregion of control model). The 1st data passing appeared to be adequate for simplified loading of the cartilage and for a subset of cell deformation metrics, e.g., change in aspect ratio. The 2nd order data passing scheme was more accurate, particularly when asymmetric permeability of the tissue boundaries were considered. Yet, the method exhibited limitations for predictions of instantaneous metrics related to the fluid phase, e.g., mass exchange rate. Nonetheless, employing higher-order data exchange schemes may be necessary to understand the biphasic mechanics of cells under lifelike tissue loading states for the whole time history of the simulation. PMID:23809004

Simulation in Metallurgical Processing: Recent Developments and Future Perspectives

NASA Astrophysics Data System (ADS)

Ludwig, Andreas; Wu, Menghuai; Kharicha, Abdellah

2016-08-01

This article briefly addresses the most important topics concerning numerical simulation of metallurgical processes, namely, multiphase issues (particle and bubble motion and flotation/sedimentation of equiaxed crystals during solidification), multiphysics issues (electromagnetic stirring, electro-slag remelting, Cu-electro-refining, fluid-structure interaction, and mushy zone deformation), process simulations on graphical processing units, integrated computational materials engineering, and automatic optimization via simulation. The present state-of-the-art as well as requirements for future developments are presented and briefly discussed.

Adaptive Implicit Non-Equilibrium Radiation Diffusion

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

Philip, Bobby; Wang, Zhen; Berrill, Mark A

2013-01-01

We describe methods for accurate and efficient long term time integra- tion of non-equilibrium radiation diffusion systems: implicit time integration for effi- cient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while control- ling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

Modeling of Revitalization of Atmospheric Water

NASA Technical Reports Server (NTRS)

Coker, Robert; Knox, Jim

2014-01-01

The Atmosphere Revitalization Recovery and Environmental Monitoring (ARREM) project was initiated in September of 2011 as part of the Advanced Exploration Systems (AES) program. Under the ARREM project, testing of sub-scale and full-scale systems has been combined with multiphysics computer simulations for evaluation and optimization of subsystem approaches. In particular, this paper describes the testing and modeling of the water desiccant subsystem of the carbon dioxide removal assembly (CDRA). The goal is a full system predictive model of CDRA to guide system optimization and development.

Computational medical imaging and hemodynamics framework for functional analysis and assessment of cardiovascular structures.

PubMed

Wong, Kelvin K L; Wang, Defeng; Ko, Jacky K L; Mazumdar, Jagannath; Le, Thu-Thao; Ghista, Dhanjoo

2017-03-21

Cardiac dysfunction constitutes common cardiovascular health issues in the society, and has been an investigation topic of strong focus by researchers in the medical imaging community. Diagnostic modalities based on echocardiography, magnetic resonance imaging, chest radiography and computed tomography are common techniques that provide cardiovascular structural information to diagnose heart defects. However, functional information of cardiovascular flow, which can in fact be used to support the diagnosis of many cardiovascular diseases with a myriad of hemodynamics performance indicators, remains unexplored to its full potential. Some of these indicators constitute important cardiac functional parameters affecting the cardiovascular abnormalities. With the advancement of computer technology that facilitates high speed computational fluid dynamics, the realization of a support diagnostic platform of hemodynamics quantification and analysis can be achieved. This article reviews the state-of-the-art medical imaging and high fidelity multi-physics computational analyses that together enable reconstruction of cardiovascular structures and hemodynamic flow patterns within them, such as of the left ventricle (LV) and carotid bifurcations. The combined medical imaging and hemodynamic analysis enables us to study the mechanisms of cardiovascular disease-causing dysfunctions, such as how (1) cardiomyopathy causes left ventricular remodeling and loss of contractility leading to heart failure, and (2) modeling of LV construction and simulation of intra-LV hemodynamics can enable us to determine the optimum procedure of surgical ventriculation to restore its contractility and health This combined medical imaging and hemodynamics framework can potentially extend medical knowledge of cardiovascular defects and associated hemodynamic behavior and their surgical restoration, by means of an integrated medical image diagnostics and hemodynamic performance analysis framework.

Modeling and simulation challenges pursued by the Consortium for Advanced Simulation of Light Water Reactors (CASL)

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

Turinsky, Paul J., E-mail: turinsky@ncsu.edu; Kothe, Douglas B., E-mail: kothe@ornl.gov

The Consortium for the Advanced Simulation of Light Water Reactors (CASL), the first Energy Innovation Hub of the Department of Energy, was established in 2010 with the goal of providing modeling and simulation (M&S) capabilities that support and accelerate the improvement of nuclear energy's economic competitiveness and the reduction of spent nuclear fuel volume per unit energy, and all while assuring nuclear safety. To accomplish this requires advances in M&S capabilities in radiation transport, thermal-hydraulics, fuel performance and corrosion chemistry. To focus CASL's R&D, industry challenge problems have been defined, which equate with long standing issues of the nuclear powermore » industry that M&S can assist in addressing. To date CASL has developed a multi-physics “core simulator” based upon pin-resolved radiation transport and subchannel (within fuel assembly) thermal-hydraulics, capitalizing on the capabilities of high performance computing. CASL's fuel performance M&S capability can also be optionally integrated into the core simulator, yielding a coupled multi-physics capability with untapped predictive potential. Material models have been developed to enhance predictive capabilities of fuel clad creep and growth, along with deeper understanding of zirconium alloy clad oxidation and hydrogen pickup. Understanding of corrosion chemistry (e.g., CRUD formation) has evolved at all scales: micro, meso and macro. CFD R&D has focused on improvement in closure models for subcooled boiling and bubbly flow, and the formulation of robust numerical solution algorithms. For multiphysics integration, several iterative acceleration methods have been assessed, illuminating areas where further research is needed. Finally, uncertainty quantification and data assimilation techniques, based upon sampling approaches, have been made more feasible for practicing nuclear engineers via R&D on dimensional reduction and biased sampling. Industry adoption of CASL's evolving M&S capabilities, which is in progress, will assist in addressing long-standing and future operational and safety challenges of the nuclear industry. - Highlights: • Complexity of physics based modeling of light water reactor cores being addressed. • Capability developed to help address problems that have challenged the nuclear power industry. • Simulation capabilities that take advantage of high performance computing developed.« less

The Mechanical Design Optimization of a High Field HTS Solenoid

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

Lalitha, SL; Gupta, RC

2015-06-01

This paper describes the conceptual design optimization of a large aperture, high field (24 T at 4 K) solenoid for a 1.7 MJ superconducting magnetic energy storage device. The magnet is designed to be built entirely of second generation (2G) high temperature superconductor tape with excellent electrical and mechanical properties at the cryogenic temperatures. The critical parameters that govern the magnet performance are examined in detail through a multiphysics approach using ANSYS software. The analysis results formed the basis for the performance specification as well as the construction of the magnet.

An Object-Oriented Finite Element Framework for Multiphysics Phase Field Simulations

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

Michael R Tonks; Derek R Gaston; Paul C Millett

2012-01-01

The phase field approach is a powerful and popular method for modeling microstructure evolution. In this work, advanced numerical tools are used to create a phase field framework that facilitates rapid model development. This framework, called MARMOT, is based on Idaho National Laboratory's finite element Multiphysics Object-Oriented Simulation Environment. In MARMOT, the system of phase field partial differential equations (PDEs) are solved simultaneously with PDEs describing additional physics, such as solid mechanics and heat conduction, using the Jacobian-Free Newton Krylov Method. An object-oriented architecture is created by taking advantage of commonalities in phase fields models to facilitate development of newmore » models with very little written code. In addition, MARMOT provides access to mesh and time step adaptivity, reducing the cost for performing simulations with large disparities in both spatial and temporal scales. In this work, phase separation simulations are used to show the numerical performance of MARMOT. Deformation-induced grain growth and void growth simulations are included to demonstrate the muliphysics capability.« less

Institutional Computing: Final Report Quantum Effects on Cosmology: Probing Physics Beyond the Standard Model with Big Bang Nucleosynthesis

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

Paris, Mark W.

The current one-year project allocation (w17 burst) supports the continuation of research performed in the two-year Institutional Computing allocation (w14 bigbangnucleosynthesis). The project has supported development and production runs resulting in several publications[1, 2, 3, 4] in peer-review journals and talks. Most signi cantly, we have recently achieved a signi cant improvement in code performance. This improvement was essential to the prospect of making further progress on this heretofore unsolved multiphysics problem that lies at the intersection of nuclear and particle theory and the kinetic theory of energy transport in a system with internal (quantum) degrees of freedom.

GEOS. User Tutorials

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

Fu, Pengchen; Settgast, Randolph R.; Johnson, Scott M.

2014-12-17

GEOS is a massively parallel, multi-physics simulation application utilizing high performance computing (HPC) to address subsurface reservoir stimulation activities with the goal of optimizing current operations and evaluating innovative stimulation methods. GEOS enables coupling of di erent solvers associated with the various physical processes occurring during reservoir stimulation in unique and sophisticated ways, adapted to various geologic settings, materials and stimulation methods. Developed at the Lawrence Livermore National Laboratory (LLNL) as a part of a Laboratory-Directed Research and Development (LDRD) Strategic Initiative (SI) project, GEOS represents the culmination of a multi-year ongoing code development and improvement e ort that hasmore » leveraged existing code capabilities and sta expertise to design new computational geosciences software.« less

Off-diagonal Jacobian support for Nodal BCs

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

Peterson, John W.; Andrs, David; Gaston, Derek R.

In this brief note, we describe the implementation of o-diagonal Jacobian computations for nodal boundary conditions in the Multiphysics Object Oriented Simulation Environment (MOOSE) [1] framework. There are presently a number of applications [2{5] based on the MOOSE framework that solve complicated physical systems of partial dierential equations whose boundary conditions are often highly nonlinear. Accurately computing the on- and o-diagonal Jacobian and preconditioner entries associated to these constraints is crucial for enabling ecient numerical solvers in these applications. Two key ingredients are required for properly specifying the Jacobian contributions of nonlinear nodal boundary conditions in MOOSE and nite elementmore » codes in general: 1. The ability to zero out entire Jacobian matrix rows after \

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

Merzari, E.; Yuan, Haomin; Kraus, A.

The NEAMS program aims to develop an integrated multi-physics simulation capability “pellet-to-plant” for the design and analysis of future generations of nuclear power plants. In particular, the Reactor Product Line code suite's multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. Flow-induced vibration (FIV) is widespread problem in energy systems because they rely on fluid movement for energy conversion. Vibrating structures may be damaged as fatigue or wear occurs. Given the importance of reliable componentsmore » in the nuclear industry, flow-induced vibration has long been a major concern in safety and operation of nuclear reactors. In particular, nuclear fuel rods and steam generators have been known to suffer from flow-induced vibration and related failures. Advanced reactors, such as integral Pressurized Water Reactors (PWRs) considered for Small Modular Reactors (SMR), often rely on innovative component designs to meet cost and safety targets. One component that is the subject of advanced designs is the steam generator, some designs of which forego the usual shell-and-tube architecture in order to fit within the primary vessel. In addition to being more cost- and space-efficient, such steam generators need to be more reliable, since failure of the primary vessel represents a potential loss of coolant and a safety concern. A significant amount of data exists on flow-induced vibration in shell-and-tube heat exchangers, and heuristic methods are available to predict their occurrence based on a set of given assumptions. In contrast, advanced designs have far less data available. Advanced modeling and simulation based on coupled structural and fluid simulations have the potential to predict flow-induced vibration in a variety of designs, reducing the need for expensive experimental programs, especially at the design stage. Over the past five years, the Reactor Product Line has developed the integrated multi-physics code suite SHARP. The goal of developing such a tool is to perform multi-physics neutronics, thermal/fluid, and structural mechanics modeling of the components inside the full reactor core or portions of it with a user-specified fidelity. In particular SHARP contains high-fidelity single-physics codes Diablo for structural mechanics and Nek5000 for fluid mechanics calculations. Both codes are state-of-the-art, highly scalable tools that have been extensively validated. These tools form a strong basis on which to build a flow-induced vibration modeling capability. In this report we discuss one-way coupled calculations performed with Nek5000 and Diablo aimed at simulating available FIV experiments in helical steam generators in the turbulent buffeting regime. In this regime one-way coupling is judged sufficient because the pressure loads do not cause substantial displacements. It is also the most common source of vibration in helical steam generators at the low flows expected in integral PWRs. The legacy data is obtained from two datasets developed at Argonne and B&W.« less

A multiphysics 3D model of tissue growth under interstitial perfusion in a tissue-engineering bioreactor.

PubMed

Nava, Michele M; Raimondi, Manuela T; Pietrabissa, Riccardo

2013-11-01

The main challenge in engineered cartilage consists in understanding and controlling the growth process towards a functional tissue. Mathematical and computational modelling can help in the optimal design of the bioreactor configuration and in a quantitative understanding of important culture parameters. In this work, we present a multiphysics computational model for the prediction of cartilage tissue growth in an interstitial perfusion bioreactor. The model consists of two separate sub-models, one two-dimensional (2D) sub-model and one three-dimensional (3D) sub-model, which are coupled between each other. These sub-models account both for the hydrodynamic microenvironment imposed by the bioreactor, using a model based on the Navier-Stokes equation, the mass transport equation and the biomass growth. The biomass, assumed as a phase comprising cells and the synthesised extracellular matrix, has been modelled by using a moving boundary approach. In particular, the boundary at the fluid-biomass interface is moving with a velocity depending from the local oxygen concentration and viscous stress. In this work, we show that all parameters predicted, such as oxygen concentration and wall shear stress, by the 2D sub-model with respect to the ones predicted by the 3D sub-model are systematically overestimated and thus the tissue growth, which directly depends on these parameters. This implies that further predictive models for tissue growth should take into account of the three dimensionality of the problem for any scaffold microarchitecture.

Guide to Using Sierra

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

Shaw, Ryan Phillip; Agelastos, Anthony Michael; Miller, Joel D.

2015-03-01

Sierra is an engineering mechanics simulation code suite supporting the Nation's Nuclear Weapons mission as well as other customers. It has explicit ties to Sandia National Labs' workfow, including geometry and meshing, design and optimization, and visualization. Dis- tinguishing strengths include "application aware" development, scalability, SQA and V&V, multiple scales, and multi-physics coupling. This document is intended to help new and existing users of Sierra as a user manual and troubleshooting guide.

Guide to Using Sierra

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

Shaw, Ryan Phillip; Agelastos, Anthony Michael; Miller, Joel D.

2017-04-01

Sierra is an engineering mechanics simulation code suite supporting the Nation's Nuclear Weapons mission as well as other customers. It has explicit ties to Sandia National Labs' workfow, including geometry and meshing, design and optimization, and visualization. Dis- tinguishing strengths include "application aware" development, scalability, SQA and V&V, multiple scales, and multi-physics coupling. This document is intended to help new and existing users of Sierra as a user manual and troubleshooting guide.

Developing strong concurrent multiphysics multiscale coupling to understand the impact of microstructural mechanisms on the structural scale

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

Foulk, James W.; Alleman, Coleman N.; Mota, Alejandro

The heterogeneity in mechanical fields introduced by microstructure plays a critical role in the localization of deformation. To resolve this incipient stage of failure, it is therefore necessary to incorporate microstructure with sufficient resolution. On the other hand, computational limitations make it infeasible to represent the microstructure in the entire domain at the component scale. In this study, the authors demonstrate the use of concurrent multi- scale modeling to incorporate explicit, finely resolved microstructure in a critical region while resolving the smoother mechanical fields outside this region with a coarser discretization to limit computational cost. The microstructural physics is modeledmore » with a high-fidelity model that incorporates anisotropic crystal elasticity and rate-dependent crystal plasticity to simulate the behavior of a stainless steel alloy. The component-scale material behavior is treated with a lower fidelity model incorporating isotropic linear elasticity and rate-independent J 2 plas- ticity. The microstructural and component scale subdomains are modeled concurrently, with coupling via the Schwarz alternating method, which solves boundary-value problems in each subdomain separately and transfers solution information between subdomains via Dirichlet boundary conditions. Beyond cases studies in concurrent multiscale, we explore progress in crystal plastic- ity through modular designs, solution methodologies, model verification, and extensions to Sierra/SM and manycore applications. Advances in conformal microstructures having both hexahedral and tetrahedral workflows in Sculpt and Cubit are highlighted. A structure-property case study in two-phase metallic composites applies the Materials Knowledge System to local metrics for void evolution. Discussion includes lessons learned, future work, and a summary of funded efforts and proposed work. Finally, an appendix illustrates the need for two-way coupling through a single degree of freedom.« less

Integration of Advanced Probabilistic Analysis Techniques with Multi-Physics Models

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

Cetiner, Mustafa Sacit; none,; Flanagan, George F.

2014-07-30

An integrated simulation platform that couples probabilistic analysis-based tools with model-based simulation tools can provide valuable insights for reactive and proactive responses to plant operating conditions. The objective of this work is to demonstrate the benefits of a partial implementation of the Small Modular Reactor (SMR) Probabilistic Risk Assessment (PRA) Detailed Framework Specification through the coupling of advanced PRA capabilities and accurate multi-physics plant models. Coupling a probabilistic model with a multi-physics model will aid in design, operations, and safety by providing a more accurate understanding of plant behavior. This represents the first attempt at actually integrating these two typesmore » of analyses for a control system used for operations, on a faster than real-time basis. This report documents the development of the basic communication capability to exchange data with the probabilistic model using Reliability Workbench (RWB) and the multi-physics model using Dymola. The communication pathways from injecting a fault (i.e., failing a component) to the probabilistic and multi-physics models were successfully completed. This first version was tested with prototypic models represented in both RWB and Modelica. First, a simple event tree/fault tree (ET/FT) model was created to develop the software code to implement the communication capabilities between the dynamic-link library (dll) and RWB. A program, written in C#, successfully communicates faults to the probabilistic model through the dll. A systems model of the Advanced Liquid-Metal Reactor–Power Reactor Inherently Safe Module (ALMR-PRISM) design developed under another DOE project was upgraded using Dymola to include proper interfaces to allow data exchange with the control application (ConApp). A program, written in C+, successfully communicates faults to the multi-physics model. The results of the example simulation were successfully plotted.« less

A fluid–structure interaction model to characterize bone cell stimulation in parallel-plate flow chamber systems

PubMed Central

Vaughan, T. J.; Haugh, M. G.; McNamara, L. M.

2013-01-01

Bone continuously adapts its internal structure to accommodate the functional demands of its mechanical environment and strain-induced flow of interstitial fluid is believed to be the primary mediator of mechanical stimuli to bone cells in vivo. In vitro investigations have shown that bone cells produce important biochemical signals in response to fluid flow applied using parallel-plate flow chamber (PPFC) systems. However, the exact mechanical stimulus experienced by the cells within these systems remains unclear. To fully understand this behaviour represents a most challenging multi-physics problem involving the interaction between deformable cellular structures and adjacent fluid flows. In this study, we use a fluid–structure interaction computational approach to investigate the nature of the mechanical stimulus being applied to a single osteoblast cell under fluid flow within a PPFC system. The analysis decouples the contribution of pressure and shear stress on cellular deformation and for the first time highlights that cell strain under flow is dominated by the pressure in the PPFC system rather than the applied shear stress. Furthermore, it was found that strains imparted on the cell membrane were relatively low whereas significant strain amplification occurred at the cell–substrate interface. These results suggest that strain transfer through focal attachments at the base of the cell are the primary mediators of mechanical signals to the cell under flow in a PPFC system. Such information is vital in order to correctly interpret biological responses of bone cells under in vitro stimulation and elucidate the mechanisms associated with mechanotransduction in vivo. PMID:23365189

A finite element framework for multiscale/multiphysics analysis of structures with complex microstructures

NASA Astrophysics Data System (ADS)

Varghese, Julian

This research work has contributed in various ways to help develop a better understanding of textile composites and materials with complex microstructures in general. An instrumental part of this work was the development of an object-oriented framework that made it convenient to perform multiscale/multiphysics analyses of advanced materials with complex microstructures such as textile composites. In addition to the studies conducted in this work, this framework lays the groundwork for continued research of these materials. This framework enabled a detailed multiscale stress analysis of a woven DCB specimen that revealed the effect of the complex microstructure on the stress and strain energy release rate distribution along the crack front. In addition to implementing an oxidation model, the framework was also used to implement strategies that expedited the simulation of oxidation in textile composites so that it would take only a few hours. The simulation showed that the tow architecture played a significant role in the oxidation behavior in textile composites. Finally, a coupled diffusion/oxidation and damage progression analysis was implemented that was used to study the mechanical behavior of textile composites under mechanical loading as well as oxidation. A parametric study was performed to determine the effect of material properties and the number of plies in the laminate on its mechanical behavior. The analyses indicated a significant effect of the tow architecture and other parameters on the damage progression in the laminates.

Hybrid transport and diffusion modeling using electron thermal transport Monte Carlo SNB in DRACO

NASA Astrophysics Data System (ADS)

Chenhall, Jeffrey; Moses, Gregory

2017-10-01

The iSNB (implicit Schurtz Nicolai Busquet) multigroup diffusion electron thermal transport method is adapted into an Electron Thermal Transport Monte Carlo (ETTMC) transport method to better model angular and long mean free path non-local effects. Previously, the ETTMC model had been implemented in the 2D DRACO multiphysics code and found to produce consistent results with the iSNB method. Current work is focused on a hybridization of the computationally slower but higher fidelity ETTMC transport method with the computationally faster iSNB diffusion method in order to maximize computational efficiency. Furthermore, effects on the energy distribution of the heat flux divergence are studied. Work to date on the hybrid method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.

MOOSE: A parallel computational framework for coupled systems of nonlinear equations.

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

Derek Gaston; Chris Newman; Glen Hansen

Systems of coupled, nonlinear partial differential equations (PDEs) often arise in simulation of nuclear processes. MOOSE: Multiphysics Object Oriented Simulation Environment, a parallel computational framework targeted at the solution of such systems, is presented. As opposed to traditional data-flow oriented computational frameworks, MOOSE is instead founded on the mathematical principle of Jacobian-free Newton-Krylov (JFNK) solution methods. Utilizing the mathematical structure present in JFNK, physics expressions are modularized into `Kernels,'' allowing for rapid production of new simulation tools. In addition, systems are solved implicitly and fully coupled, employing physics based preconditioning, which provides great flexibility even with large variance in timemore » scales. A summary of the mathematics, an overview of the structure of MOOSE, and several representative solutions from applications built on the framework are presented.« less

Unified treatment of microscopic boundary conditions and efficient algorithms for estimating tangent operators of the homogenized behavior in the computational homogenization method

NASA Astrophysics Data System (ADS)

Nguyen, Van-Dung; Wu, Ling; Noels, Ludovic

2017-03-01

This work provides a unified treatment of arbitrary kinds of microscopic boundary conditions usually considered in the multi-scale computational homogenization method for nonlinear multi-physics problems. An efficient procedure is developed to enforce the multi-point linear constraints arising from the microscopic boundary condition either by the direct constraint elimination or by the Lagrange multiplier elimination methods. The macroscopic tangent operators are computed in an efficient way from a multiple right hand sides linear system whose left hand side matrix is the stiffness matrix of the microscopic linearized system at the converged solution. The number of vectors at the right hand side is equal to the number of the macroscopic kinematic variables used to formulate the microscopic boundary condition. As the resolution of the microscopic linearized system often follows a direct factorization procedure, the computation of the macroscopic tangent operators is then performed using this factorized matrix at a reduced computational time.

Unstructured LES of Reacting Multiphase Flows in Realistic Gas Turbine Combustors

NASA Technical Reports Server (NTRS)

Ham, Frank; Apte, Sourabh; Iaccarino, Gianluca; Wu, Xiao-Hua; Herrmann, Marcus; Constantinescu, George; Mahesh, Krishnan; Moin, Parviz

2003-01-01

As part of the Accelerated Strategic Computing Initiative (ASCI) program, an accurate and robust simulation tool is being developed to perform high-fidelity LES studies of multiphase, multiscale turbulent reacting flows in aircraft gas turbine combustor configurations using hybrid unstructured grids. In the combustor, pressurized gas from the upstream compressor is reacted with atomized liquid fuel to produce the combustion products that drive the downstream turbine. The Large Eddy Simulation (LES) approach is used to simulate the combustor because of its demonstrated superiority over RANS in predicting turbulent mixing, which is central to combustion. This paper summarizes the accomplishments of the combustor group over the past year, concentrating mainly on the two major milestones achieved this year: 1) Large scale simulation: A major rewrite and redesign of the flagship unstructured LES code has allowed the group to perform large eddy simulations of the complete combustor geometry (all 18 injectors) with over 100 million control volumes; 2) Multi-physics simulation in complex geometry: The first multi-physics simulations including fuel spray breakup, coalescence, evaporation, and combustion are now being performed in a single periodic sector (1/18th) of an actual Pratt & Whitney combustor geometry.

A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels

NASA Astrophysics Data System (ADS)

Li, Hua; Wang, Xiaogui; Yan, Guoping; Lam, K. Y.; Cheng, Sixue; Zou, Tao; Zhuo, Renxi

2005-03-01

In this paper, a novel multiphysic mathematical model is developed for simulation of swelling equilibrium of ionized temperature sensitive hydrogels with the volume phase transition, and it is termed the multi-effect-coupling thermal-stimulus (MECtherm) model. This model consists of the steady-state Nernst-Planck equation, Poisson equation and swelling equilibrium governing equation based on the Flory's mean field theory, in which two types of polymer-solvent interaction parameters, as the functions of temperature and polymer-network volume fraction, are specified with or without consideration of the hydrogen bond interaction. In order to examine the MECtherm model consisting of nonlinear partial differential equations, a meshless Hermite-Cloud method is used for numerical solution of one-dimensional swelling equilibrium of thermal-stimulus responsive hydrogels immersed in a bathing solution. The computed results are in very good agreements with experimental data for the variation of volume swelling ratio with temperature. The influences of the salt concentration and initial fixed-charge density are discussed in detail on the variations of volume swelling ratio of hydrogels, mobile ion concentrations and electric potential of both interior hydrogels and exterior bathing solution.

Multiphysics Modeling and Simulations of Mil A46100 Armor-Grade Martensitic Steel Gas Metal Arc Welding Process

DTIC Science & Technology

2013-05-23

simulation of the conventional Gas Metal Arc Welding (GMAW) process, and the application of the developed methods and tools for prediction of the...technology in many industries such as chemical, oil , aerospace, and shipbuilding construction. In fact, within the metal fabrication industry as a...Mechanical Properties of Low Alloy Steel Products. Hardenability Concepts with Applications to Steel, The Metallurgical Society of AIME, Chicago, 1978, p

Study on Fluid-solid Coupling Mathematical Models and Numerical Simulation of Coal Containing Gas

NASA Astrophysics Data System (ADS)

Xu, Gang; Hao, Meng; Jin, Hongwei

2018-02-01

Based on coal seam gas migration theory under multi-physics field coupling effect, fluid-solid coupling model of coal seam gas was build using elastic mechanics, fluid mechanics in porous medium and effective stress principle. Gas seepage behavior under different original gas pressure was simulated. Results indicated that residual gas pressure, gas pressure gradient and gas low were bigger when original gas pressure was higher. Coal permeability distribution decreased exponentially when original gas pressure was lower than critical pressure. Coal permeability decreased rapidly first and then increased slowly when original pressure was higher than critical pressure.

Deep geothermal systems interpreted by coupled thermo-hydraulic-mechanical-chemical numerical modeling

NASA Astrophysics Data System (ADS)

Peters, Max; Lesueur, Martin; Held, Sebastian; Poulet, Thomas; Veveakis, Manolis; Regenauer-Lieb, Klaus; Kohl, Thomas

2017-04-01

The dynamic response of the geothermal reservoirs of Soultz-sous-Forêts (NE France) and a new site in Iceland are theoretically studied upon fluid injection and production. Since the Soultz case can be considered the most comprehensive project in the area of enhanced geothermal systems (EGS), it is tailored for the testing of forward modeling techniques that aim at the characterization of fluid dynamics and mechanical properties in any deeply-seated fractured cystalline reservoir [e.g. Held et al., 2014]. We present multi-physics finite element models using the recently developed framework MOOSE (mooseframework.org) that implicitly consider fully-coupled feedback mechanisms of fluid-rock interaction at depth where EGS are located (depth > 5 km), i.e. the effects of dissipative strain softening on chemical reactions and reactive transport [Poulet et al., 2016]. In a first suite of numerical experiments, we show that an accurate simulation of propagation fronts allows studying coupled fluid and heat transport, following preferred pathways, and the transport time of the geothermal fluid between injection and production wells, which is in good agreement with tracer experiments performed inside the natural reservoir. Based on induced seismicity experiments and related damage along boreholes, we concern with borehole instabilities resulting from pore pressure variations and (a)seismic creep in a second series of simulations. To this end, we account for volumetric and deviatoric components, following the approach of Veveakis et al. (2016), and discuss the mechanisms triggering slow earthquakes in the stimulated reservoirs. Our study will allow applying concepts of unconventional geomechanics, which were previously reviewed on a theoretical basis [Regenauer-Lieb et al., 2015], to substantial engineering problems of deep geothermal reservoirs in the future. REFERENCES Held, S., Genter, A., Kohl, T., Kölbel, T., Sausse, J. and Schoenball, M. (2014). Economic evaluation of geothermal reservoir performance through modeling the complexity of the operating EGS in Soultz-sous-Forêts. Geothermics, 51, 270-280, doi:10.1016/j.geothermics.2014.01.016 Poulet, T., Paesold, M. and Veveakis, M. (2016). Multi-Physics Modelling of Fault Mechanics Using REDBACK: A Parallel Open-Source Simulator for Tightly Coupled Problems. Rock Mechanics and Rock Engineering, doi:10.1007/s00603-016-0927-y Regenauer-Lieb, K., Bunger, A., Chua, H. T., et al., 2015. Deep Geothermal: The 'Moon Landing' Mission in the Unconventional Energy and Minerals Space. Journal of Earth Science, 26(1): 2-10, doi:10.1007/s12583-015-0515-1 Veveakis, M., Alevizos, S., Poulet, T. (2016). Episodic Tremor and Slip (ETS) as a chaotic Multiphysics spring. Physics of the Earth and Planetary Interiors, in press, doi:10.1016/j.pepi.2016.10.002

Numerical Simulations of Single Flow Element in a Nuclear Thermal Thrust Chamber

NASA Technical Reports Server (NTRS)

Cheng, Gary; Ito, Yasushi; Ross, Doug; Chen, Yen-Sen; Wang, Ten-See

2007-01-01

The objective of this effort is to develop an efficient and accurate computational methodology to predict both detailed and global thermo-fluid environments of a single now element in a hypothetical solid-core nuclear thermal thrust chamber assembly, Several numerical and multi-physics thermo-fluid models, such as chemical reactions, turbulence, conjugate heat transfer, porosity, and power generation, were incorporated into an unstructured-grid, pressure-based computational fluid dynamics solver. The numerical simulations of a single now element provide a detailed thermo-fluid environment for thermal stress estimation and insight for possible occurrence of mid-section corrosion. In addition, detailed conjugate heat transfer simulations were employed to develop the porosity models for efficient pressure drop and thermal load calculations.

A closer look at the physical and optical properties of gold nanostars: an experimental and computational study

DOE PAGES

Tsoulos, T. V.; Han, L.; Weir, J.; ...

2017-02-22

A combined experimental and computational study was carried out to design a semi-empirical method to determine the volume, surface area, and extinction coefficients of gold nanostars. The values obtained were confirmed by reconstructing the nanostar 3D topography through high-tilt TEM tomography and introducing the finite elements in COMSOL Multiphysics through which we have also calculated the morphology-dependent extinction coefficient. We have, for the first time, modeled the heat losses of a real, experimentally synthesized nanostar, and found the plasmon resonances to be in excellent agreement with those obtained experimentally. Furthermore, we believe that our approach could substantially improve the applicabilitymore » of this remarkable nanomaterial.« less

A closer look at the physical and optical properties of gold nanostars: an experimental and computational study

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

Tsoulos, T. V.; Han, L.; Weir, J.

A combined experimental and computational study was carried out to design a semi-empirical method to determine the volume, surface area, and extinction coefficients of gold nanostars. The values obtained were confirmed by reconstructing the nanostar 3D topography through high-tilt TEM tomography and introducing the finite elements in COMSOL Multiphysics through which we have also calculated the morphology-dependent extinction coefficient. We have, for the first time, modeled the heat losses of a real, experimentally synthesized nanostar, and found the plasmon resonances to be in excellent agreement with those obtained experimentally. Furthermore, we believe that our approach could substantially improve the applicabilitymore » of this remarkable nanomaterial.« less

Hemodynamics of Aortic Stenosis and Implications for Non-invasive Diagnosis via Auscultation

NASA Astrophysics Data System (ADS)

Zhu, Chi; Seo, Jung-Hee; Mittal, Rajat

2017-11-01

Aortic stenosis refers to the abnormal narrowing of the aortic valve and it is one of the most common valvular diseases. It is also known to generate ejection murmurs, which contain valuable disease-related information. However, an incomplete understanding of the flow mechanism(s) responsible for the murmur generation, as well as the effect of intervening tissue on murmur propagation has limited the diagnostic information can be extracted through cardiac auscultation. In this study, a canonical model of the aorta with stenosis is used, and a multiphysics computational modeling approach is employed to investigate the generation and propagation of the murmurs. First, direct numerical simulation (DNS) is used to explore the hemodynamics of the post-stenotic flow. Then, a high-order, linear viscoelastic wave solver is used to investigate the wave propagation in a modeled thorax. The results show that both the aortic jet and the secondary flow contribute significantly to the murmur generation. The murmur signals on the epidermal surface are measured and analyzed. The break frequencies obtained from the spectra of cases with different degrees of stenosis are found to follow a universal scaling. The implications of these results for cardiac auscultation are discussed. The authors would like to acknowledge support from NSF Grants IIS-1344772, CBET-1511200, and NSF XSEDE Grant TG-CTS100002.

Security Implications of Induced Earthquakes

NASA Astrophysics Data System (ADS)

Jha, B.; Rao, A.

2016-12-01

The increase in earthquakes induced or triggered by human activities motivates us to research how a malicious entity could weaponize earthquakes to cause damage. Specifically, we explore the feasibility of controlling the location, timing and magnitude of an earthquake by activating a fault via injection and production of fluids into the subsurface. Here, we investigate the relationship between the magnitude and trigger time of an induced earthquake to the well-to-fault distance. The relationship between magnitude and distance is important to determine the farthest striking distance from which one could intentionally activate a fault to cause certain level of damage. We use our novel computational framework to model the coupled multi-physics processes of fluid flow and fault poromechanics. We use synthetic models representative of the New Madrid Seismic Zone and the San Andreas Fault Zone to assess the risk in the continental US. We fix injection and production flow rates of the wells and vary their locations. We simulate injection-induced Coulomb destabilization of faults and evolution of fault slip under quasi-static deformation. We find that the effect of distance on the magnitude and trigger time is monotonic, nonlinear, and time-dependent. Evolution of the maximum Coulomb stress on the fault provides insights into the effect of the distance on rupture nucleation and propagation. The damage potential of induced earthquakes can be maintained even at longer distances because of the balance between pressure diffusion and poroelastic stress transfer mechanisms. We conclude that computational modeling of induced earthquakes allows us to measure feasibility of weaponzing earthquakes and developing effective defense mechanisms against such attacks.

A combined model of heat and mass transfer for the in situ extraction of volatile water from lunar regolith

NASA Astrophysics Data System (ADS)

Reiss, P.

2018-05-01

Chemical analysis of lunar soil samples often involves thermal processing to extract their volatile constituents, such as loosely adsorbed water. For the characterization of volatiles and their bonding mechanisms it is important to determine their desorption temperature. However, due to the low thermal diffusivity of lunar regolith, it might be difficult to reach a uniform heat distribution in a sample that is larger than only a few particles. Furthermore, the mass transport through such a sample is restricted, which might lead to a significant delay between actual desorption and measurable outgassing of volatiles from the sample. The entire volatiles extraction process depends on the dynamically changing heat and mass transfer within the sample, and is influenced by physical parameters such as porosity, tortuosity, gas density, temperature and pressure. To correctly interpret measurements of the extracted volatiles, it is important to understand the interaction between heat transfer, sorption, and gas transfer through the sample. The present paper discusses the molecular kinetics and mechanisms that are involved in the thermal extraction process and presents a combined parametrical computation model to simulate this process. The influence of water content on the gas diffusivity and thermal diffusivity is discussed and the issue of possible resorption of desorbed molecules within the sample is addressed. Based on the multi-physical computation model, a case study for the ProSPA instrument for in situ analysis of lunar volatiles is presented, which predicts relevant dynamic process parameters, such as gas pressure and process duration.

Squeeze-Film Air Damping of a Five-Axis Electrostatic Bearing for Rotary Micromotors

PubMed Central

Wang, Shunyue; Han, Fengtian; Sun, Boqian; Li, Haixia

2017-01-01

Air-film damping, which dominates over other losses, plays a significant role in the dynamic response of many micro-fabricated devices with a movable mass suspended by various bearing mechanisms. Modeling the damping characteristics accurately will be greatly helpful to the bearing design, control, and test in various micromotor devices. This paper presents the simulated and experimental squeeze-film air damping results of an electrostatic bearing for use in a rotary high-speed micromotor. It is shown that the boundary condition to solve the three-dimensional Reynolds equation, which governs the squeeze-film damping in the air gap between the rotor and its surrounding stator sealed in a three-layer evacuated cavity, behaves with strong cross-axis coupling characteristics. To accurately characterize the damping effect, a set of multiphysics finite-element simulations are performed by computing both the rotor velocity and the distribution of the viscous damping force acting on the rotor. The damping characteristics varying with several key structure parameters are simulated and discussed to optimize the device structure for desirable rotor dynamics. An electrical measurement method is also proposed and applied to validate the numerical results of the damping coefficients experimentally. Given that the frequency response of the electric bearing is critically dependent on the damping coefficients at atmospheric pressure, a solution to the air-film damping measurement problem is presented by taking approximate curve fitting of multi-axis experimental frequency responses. The measured squeeze-film damping coefficients for the five-axis electric bearing agrees well with the numerical solutions. This indicates that numerical multiphysics simulation is an effective method to accurately examine the air-film damping effect for complex device geometry and arbitrary boundary condition. The accurate damping coefficients obtained by FEM simulation will greatly simplify the design of the five-axis bearing control system and facilitate the initial suspension test of the rotor for various micromotor devices. PMID:28505089

Squeeze-Film Air Damping of a Five-Axis Electrostatic Bearing for Rotary Micromotors.

PubMed

Wang, Shunyue; Han, Fengtian; Sun, Boqian; Li, Haixia

2017-05-13

Air-film damping, which dominates over other losses, plays a significant role in the dynamic response of many micro-fabricated devices with a movable mass suspended by various bearing mechanisms. Modeling the damping characteristics accurately will be greatly helpful to the bearing design, control, and test in various micromotor devices. This paper presents the simulated and experimental squeeze-film air damping results of an electrostatic bearing for use in a rotary high-speed micromotor. It is shown that the boundary condition to solve the three-dimensional Reynolds equation, which governs the squeeze-film damping in the air gap between the rotor and its surrounding stator sealed in a three-layer evacuated cavity, behaves with strong cross-axis coupling characteristics. To accurately characterize the damping effect, a set of multiphysics finite-element simulations are performed by computing both the rotor velocity and the distribution of the viscous damping force acting on the rotor. The damping characteristics varying with several key structure parameters are simulated and discussed to optimize the device structure for desirable rotor dynamics. An electrical measurement method is also proposed and applied to validate the numerical results of the damping coefficients experimentally. Given that the frequency response of the electric bearing is critically dependent on the damping coefficients at atmospheric pressure, a solution to the air-film damping measurement problem is presented by taking approximate curve fitting of multi-axis experimental frequency responses. The measured squeeze-film damping coefficients for the five-axis electric bearing agrees well with the numerical solutions. This indicates that numerical multiphysics simulation is an effective method to accurately examine the air-film damping effect for complex device geometry and arbitrary boundary condition. The accurate damping coefficients obtained by FEM simulation will greatly simplify the design of the five-axis bearing control system and facilitate the initial suspension test of the rotor for various micromotor devices.

Combustion characteristics and turbulence modeling of swirling reacting flow in solid fuel ramjet

NASA Astrophysics Data System (ADS)

Musa, Omer; Xiong, Chen; Changsheng, Zhou

2017-10-01

This paper reviews the historical studies have been done on the solid-fuel ramjet engine and difficulties associated with numerical modeling of swirling flow with combustible gases. A literature survey about works related to numerical and experimental investigations on solid-fuel ramjet as well as using swirling flow and different numerical approaches has been provided. An overview of turbulence modeling of swirling flow and the behavior of turbulence at streamline curvature and system rotation are presented. A new and simple curvature/correction factor is proposed in order to reduce the programming complexity of SST-CC turbulence model. Finally, numerical and experimental investigations on the impact of swirling flow on SFRJ have been carried out. For that regard, a multi-physics coupling code is developed to solve the problems of multi-physics coupling of fluid mechanics, solid pyrolysis, heat transfer, thermodynamics, and chemical kinetics. The connected-pipe test facility is used to carry out the experiments. The results showed a positive impact of swirling flow on SFRJ along with, three correlations are proposed.

Multiphysics Engineering Analysis for an Integrated Design of ITER Diagnostic First Wall and Diagnostic Shield Module Design

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

Zhai, Y.; Loesser, G.; Smith, M.

ITER diagnostic first walls (DFWs) and diagnostic shield modules (DSMs) inside the port plugs (PPs) are designed to protect diagnostic instrument and components from a harsh plasma environment and provide structural support while allowing for diagnostic access to the plasma. The design of DFWs and DSMs are driven by 1) plasma radiation and nuclear heating during normal operation 2) electromagnetic loads during plasma events and associate component structural responses. A multi-physics engineering analysis protocol for the design has been established at Princeton Plasma Physics Laboratory and it was used for the design of ITER DFWs and DSMs. The analyses weremore » performed to address challenging design issues based on resultant stresses and deflections of the DFW-DSM-PP assembly for the main load cases. ITER Structural Design Criteria for In-Vessel Components (SDC-IC) required for design by analysis and three major issues driving the mechanical design of ITER DFWs are discussed. The general guidelines for the DSM design have been established as a result of design parametric studies.« less

Curing of Thick Thermoset Composite Laminates: Multiphysics Modeling and Experiments

NASA Astrophysics Data System (ADS)

Anandan, S.; Dhaliwal, G. S.; Huo, Z.; Chandrashekhara, K.; Apetre, N.; Iyyer, N.

2017-11-01

Fiber reinforced polymer composites are used in high-performance aerospace applications as they are resistant to fatigue, corrosion free and possess high specific strength. The mechanical properties of these composite components depend on the degree of cure and residual stresses developed during the curing process. While these parameters are difficult to determine experimentally in large and complex parts, they can be simulated using numerical models in a cost-effective manner. These simulations can be used to develop cure cycles and change processing parameters to obtain high-quality parts. In the current work, a numerical model was built in Comsol MultiPhysics to simulate the cure behavior of a carbon/epoxy prepreg system (IM7/Cycom 5320-1). A thermal spike was observed in thick laminates when the recommended cure cycle was used. The cure cycle was modified to reduce the thermal spike and maintain the degree of cure at the laminate center. A parametric study was performed to evaluate the effect of air flow in the oven, post cure cycles and cure temperatures on the thermal spike and the resultant degree of cure in the laminate.

Mesh-free data transfer algorithms for partitioned multiphysics problems: Conservation, accuracy, and parallelism

DOE PAGES

Slattery, Stuart R.

2015-12-02

In this study we analyze and extend mesh-free algorithms for three-dimensional data transfer problems in partitioned multiphysics simulations. We first provide a direct comparison between a mesh-based weighted residual method using the common-refinement scheme and two mesh-free algorithms leveraging compactly supported radial basis functions: one using a spline interpolation and one using a moving least square reconstruction. Through the comparison we assess both the conservation and accuracy of the data transfer obtained from each of the methods. We do so for a varying set of geometries with and without curvature and sharp features and for functions with and without smoothnessmore » and with varying gradients. Our results show that the mesh-based and mesh-free algorithms are complementary with cases where each was demonstrated to perform better than the other. We then focus on the mesh-free methods by developing a set of algorithms to parallelize them based on sparse linear algebra techniques. This includes a discussion of fast parallel radius searching in point clouds and restructuring the interpolation algorithms to leverage data structures and linear algebra services designed for large distributed computing environments. The scalability of our new algorithms is demonstrated on a leadership class computing facility using a set of basic scaling studies. Finally, these scaling studies show that for problems with reasonable load balance, our new algorithms for both spline interpolation and moving least square reconstruction demonstrate both strong and weak scalability using more than 100,000 MPI processes with billions of degrees of freedom in the data transfer operation.« less

Integration of topological modification within the modeling of multi-physics systems: Application to a Pogo-stick

NASA Astrophysics Data System (ADS)

Abdeljabbar Kharrat, Nourhene; Plateaux, Régis; Miladi Chaabane, Mariem; Choley, Jean-Yves; Karra, Chafik; Haddar, Mohamed

2018-05-01

The present work tackles the modeling of multi-physics systems applying a topological approach while proceeding with a new methodology using a topological modification to the structure of systems. Then the comparison with the Magos' methodology is made. Their common ground is the use of connectivity within systems. The comparison and analysis of the different types of modeling show the importance of the topological methodology through the integration of the topological modification to the topological structure of a multi-physics system. In order to validate this methodology, the case of Pogo-stick is studied. The first step consists in generating a topological graph of the system. Then the connectivity step takes into account the contact with the ground. During the last step of this research; the MGS language (Modeling of General System) is used to model the system through equations. Finally, the results are compared to those obtained by MODELICA. Therefore, this proposed methodology may be generalized to model multi-physics systems that can be considered as a set of local elements.

Parallelization of the preconditioned IDR solver for modern multicore computer systems

NASA Astrophysics Data System (ADS)

Bessonov, O. A.; Fedoseyev, A. I.

2012-10-01

This paper present the analysis, parallelization and optimization approach for the large sparse matrix solver CNSPACK for modern multicore microprocessors. CNSPACK is an advanced solver successfully used for coupled solution of stiff problems arising in multiphysics applications such as CFD, semiconductor transport, kinetic and quantum problems. It employs iterative IDR algorithm with ILU preconditioning (user chosen ILU preconditioning order). CNSPACK has been successfully used during last decade for solving problems in several application areas, including fluid dynamics and semiconductor device simulation. However, there was a dramatic change in processor architectures and computer system organization in recent years. Due to this, performance criteria and methods have been revisited, together with involving the parallelization of the solver and preconditioner using Open MP environment. Results of the successful implementation for efficient parallelization are presented for the most advances computer system (Intel Core i7-9xx or two-processor Xeon 55xx/56xx).

Quench-Induced Stresses in AA2618 Forgings for Impellers: A Multiphysics and Multiscale Problem

NASA Astrophysics Data System (ADS)

Chobaut, Nicolas; Saelzle, Peter; Michel, Gilles; Carron, Denis; Drezet, Jean-Marie

2015-05-01

In the fabrication of heat-treatable aluminum parts such as AA2618 compressor impellers for turbochargers, solutionizing and quenching are key steps to obtain the required mechanical characteristics. Fast quenching is necessary to avoid coarse precipitation as it reduces the mechanical properties obtained after heat treatment. However, fast quenching induces residual stresses that can cause unacceptable distortions during machining. Furthermore, the remaining residual stresses after final machining can lead to unfavorable stresses in service. Predicting and controlling internal stresses during the whole processing from heat treatment to final machining is therefore of particular interest to prevent negative impacts of residual stresses. This problem is multiphysics because processes such as heat transfer during quenching, precipitation phenomena, thermally induced deformations, and stress generation are interacting and need to be taken into account. The problem is also multiscale as precipitates of nanosize form during quenching at locations where the cooling rate is too low. This precipitation affects the local yield strength of the material and thus impacts the level of macroscale residual stresses. A thermomechanical model accounting for precipitation in a simple but realistic way is presented. Instead of modelling precipitation that occurs during quenching, the model parameters are identified using a limited number of tensile tests achieved after representative interrupted cooling paths in a Gleeble machine. The simulation results are compared with as-quenched residual stresses in a forging measured by neutron diffraction.

A multiphysics phase field model on melting and kinetic superheating of aluminum nanolayer and nanoparticle

NASA Astrophysics Data System (ADS)

Hwang, Yong Seok

It has been found during the last decade that a nanoscale melting of metal has very distinctive features compared to its microscale counterpart. It has been observed that a highly non-equilibrium state can result in extreme superheating of a solid state, which cannot be explained well by thermodynamic theories based on equilibrium or nucleation. An endeavor to find the superheating limit and mechanisms of melting and superheating becomes more complicated when various physical phenomena are involved at the similar scales. The main goal of this research is to establish a multiphysics model and to reveal the mechanism of melting and kinetic superheating of a metal nanostructure at high heating rates. The model includes elastodynamics, a fast heating of metal considering a delayed heat transfer between electron gas and lattice phonon and couplings among physical phenomena, and phase transformation incorporated with thermal fluctuation. The model successfully reproduces two independent experiments and several novel nanoscale physical phenomena are discovered. For example, the depression of the melting temperature of Al nanolayer under plane stress condition, the threshold heating rate, 1011 K/s, for kinetic superheating, a large temperature drop in a 5 nm collision region of the two solid-melt interfaces, and a strong effect of geometry on kinetic superheating in Al core-shell nanostructure at high heating rate.

Musculoskeletal Modeling of the Lumbar Spine to Explore Functional Interactions between Back Muscle Loads and Intervertebral Disk Multiphysics

PubMed Central

Toumanidou, Themis; Noailly, Jérôme

2015-01-01

During daily activities, complex biomechanical interactions influence the biophysical regulation of intervertebral disks (IVDs), and transfers of mechanical loads are largely controlled by the stabilizing action of spine muscles. Muscle and other internal forces cannot be easily measured directly in the lumbar spine. Hence, biomechanical models are important tools for the evaluation of the loads in those tissues involved in low-back disorders. Muscle force estimations in most musculoskeletal models mainly rely, however, on inverse calculations and static optimizations that limit the predictive power of the numerical calculations. In order to contribute to the development of predictive systems, we coupled a predictive muscle model with the passive resistance of the spine tissues, in a L3–S1 musculoskeletal finite element model with osmo-poromechanical IVD descriptions. The model included 46 fascicles of the major back muscles that act on the lower spine. The muscle model interacted with activity-related loads imposed to the osteoligamentous structure, as standing position and night rest were simulated through distributed upper body mass and free IVD swelling, respectively. Calculations led to intradiscal pressure values within ranges of values measured in vivo. Disk swelling led to muscle activation and muscle force distributions that seemed particularly appropriate to counterbalance the anterior body mass effect in standing. Our simulations pointed out a likely existence of a functional balance between stretch-induced muscle activation and IVD multiphysics toward improved mechanical stability of the lumbar spine understanding. This balance suggests that proper night rest contributes to mechanically strengthen the spine during day activity. PMID:26301218

A Computational Framework for Efficient Low Temperature Plasma Simulations

NASA Astrophysics Data System (ADS)

Verma, Abhishek Kumar; Venkattraman, Ayyaswamy

2016-10-01

Over the past years, scientific computing has emerged as an essential tool for the investigation and prediction of low temperature plasmas (LTP) applications which includes electronics, nanomaterial synthesis, metamaterials etc. To further explore the LTP behavior with greater fidelity, we present a computational toolbox developed to perform LTP simulations. This framework will allow us to enhance our understanding of multiscale plasma phenomenon using high performance computing tools mainly based on OpenFOAM FVM distribution. Although aimed at microplasma simulations, the modular framework is able to perform multiscale, multiphysics simulations of physical systems comprises of LTP. Some salient introductory features are capability to perform parallel, 3D simulations of LTP applications on unstructured meshes. Performance of the solver is tested based on numerical results assessing accuracy and efficiency of benchmarks for problems in microdischarge devices. Numerical simulation of microplasma reactor at atmospheric pressure with hemispherical dielectric coated electrodes will be discussed and hence, provide an overview of applicability and future scope of this framework.

Oscillation-Mark Formation and Liquid-Slag Consumption in Continuous Casting Mold

NASA Astrophysics Data System (ADS)

Yang, Jie; Meng, Xiangning; Wang, Ning; Zhu, Miaoyong

2017-04-01

Traditional understanding on the complex multiphysics phenomenon of the meniscus in the oscillating mold for continuously cast steel, including oscillation-mark formation and liquid-slag consumption, has never considered the shape influence of the flux channel between the mold wall and the solidifying shell surface. Based on the reciprocating oscillation of mold, this study was carried out to calculate theoretically the periodic pressure and the liquid-slag layer thickness in the flux channel for the upper and the lower meniscus that possess different shapes in combination with a transient equilibrium profile of the flux channel as well as the sinusoidal and the nonsinusoidal oscillation modes of mold. The effect of flux channel shape on the multiphysics phenomenon in the meniscus was determined by the physical oscillation simulation by using an experimental cold model mold. The results show that the shape difference between the upper and the lower meniscus leads to the opposite direction of pressure in the flux channel. The pressure in the opposite direction plays a respective role in oscillation-mark formation and liquid-slag consumption in an oscillation cycle of mold, and thus, it makes a new mechanism for explaining the multiphysics phenomenon in the meniscus. The oscillation mark is initially formed by the rapid increase of positive channel pressure in the upper meniscus, and most of the liquid slag is infiltrated into the flux channel by the negative channel pressure in the lower meniscus from the end of a positive strip time to the beginning of the next positive strip time, including the negative strip time in between. Furthermore, the physical characteristics of the lubrication behavior in the meniscus are summarized, including liquid-slag infiltration, solidifying shell deformation, and the thickness change of the liquid-slag layer.

Multiphysics phase field modeling of hydrogen diffusion and delta-hydride precipitation in alpha-zirconium

NASA Astrophysics Data System (ADS)

Jokisaari, Andrea M.

Hydride precipitation in zirconium is a significant factor limiting the lifetime of nuclear fuel cladding, because hydride microstructures play a key role in the degradation of fuel cladding. However, the behavior of hydrogen in zirconium has typically been modeled using mean field approaches, which do not consider microstructural evolution. This thesis describes a quantitative microstructural evolution model for the alpha-zirconium/delta-hydride system and the associated numerical methods and algorithms that were developed. The multiphysics, phase field-based model incorporates CALPHAD free energy descriptions, linear elastic solid mechanics, and classical nucleation theory. A flexible simulation software implementing the model, Hyrax, is built on the Multiphysics Object Oriented Simulation Environment (MOOSE) finite element framework. Hyrax is open-source and freely available; moreover, the numerical methods and algorithms that have been developed are generalizable to other systems. The algorithms are described in detail, and verification studies for each are discussed. In addition, analyses of the sensitivity of the simulation results to the choice of numerical parameters are presented. For example, threshold values for the CALPHAD free energy algorithm and the use of mesh and time adaptivity when employing the nucleation algorithm are studied. Furthermore, preliminary insights into the nucleation behavior of delta-hydrides are described. These include a) the sensitivities of the nucleation rate to temperature, interfacial energy, composition and elastic energy, b) the spatial variation of the nucleation rate around a single precipitate, and c) the effect of interfacial energy and nucleation rate on the precipitate microstructure. Finally, several avenues for future work are discussed. Topics encompass the terminal solid solubility hysteresis of hydrogen in zirconium and the effects of the alpha/delta interfacial energy, as well as thermodiffusion, plasticity, and irradiation, which are not yet accounted for in the model.

Verification of a Multiphysics Toolkit against the Magnetized Target Fusion Concept

NASA Technical Reports Server (NTRS)

Thomas, Scott; Perrell, Eric; Liron, Caroline; Chiroux, Robert; Cassibry, Jason; Adams, Robert B.

2005-01-01

In the spring of 2004 the Advanced Concepts team at MSFC embarked on an ambitious project to develop a suite of modeling routines that would interact with one another. The tools would each numerically model a portion of any advanced propulsion system. The tools were divided by physics categories, hence the name multiphysics toolset. Currently most of the anticipated modeling tools have been created and integrated. Results are given in this paper for both a quarter nozzle with chemically reacting flow and the interaction of two plasma jets representative of a Magnetized Target Fusion device. The results have not been calibrated against real data as of yet, but this paper demonstrates the current capability of the multiphysics tool and planned future enhancements

Explicit integration with GPU acceleration for large kinetic networks

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

Brock, Benjamin; Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830; Belt, Andrew

2015-12-01

We demonstrate the first implementation of recently-developed fast explicit kinetic integration algorithms on modern graphics processing unit (GPU) accelerators. Taking as a generic test case a Type Ia supernova explosion with an extremely stiff thermonuclear network having 150 isotopic species and 1604 reactions coupled to hydrodynamics using operator splitting, we demonstrate the capability to solve of order 100 realistic kinetic networks in parallel in the same time that standard implicit methods can solve a single such network on a CPU. This orders-of-magnitude decrease in computation time for solving systems of realistic kinetic networks implies that important coupled, multiphysics problems inmore » various scientific and technical fields that were intractable, or could be simulated only with highly schematic kinetic networks, are now computationally feasible.« less

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.

Community Petascale Project for Accelerator Science and Simulation: Advancing Computational Science for Future Accelerators and Accelerator Technologies

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

Spentzouris, P.; /Fermilab; Cary, J.

The design and performance optimization of particle accelerators are essential for the success of the DOE scientific program in the next decade. Particle accelerators are very complex systems whose accurate description involves a large number of degrees of freedom and requires the inclusion of many physics processes. Building on the success of the SciDAC-1 Accelerator Science and Technology project, the SciDAC-2 Community Petascale Project for Accelerator Science and Simulation (ComPASS) is developing a comprehensive set of interoperable components for beam dynamics, electromagnetics, electron cooling, and laser/plasma acceleration modelling. ComPASS is providing accelerator scientists the tools required to enable the necessarymore » accelerator simulation paradigm shift from high-fidelity single physics process modeling (covered under SciDAC1) to high-fidelity multiphysics modeling. Our computational frameworks have been used to model the behavior of a large number of accelerators and accelerator R&D experiments, assisting both their design and performance optimization. As parallel computational applications, the ComPASS codes have been shown to make effective use of thousands of processors. ComPASS is in the first year of executing its plan to develop the next-generation HPC accelerator modeling tools. ComPASS aims to develop an integrated simulation environment that will utilize existing and new accelerator physics modules with petascale capabilities, by employing modern computing and solver technologies. The ComPASS vision is to deliver to accelerator scientists a virtual accelerator and virtual prototyping modeling environment, with the necessary multiphysics, multiscale capabilities. The plan for this development includes delivering accelerator modeling applications appropriate for each stage of the ComPASS software evolution. Such applications are already being used to address challenging problems in accelerator design and optimization. The ComPASS organization for software development and applications accounts for the natural domain areas (beam dynamics, electromagnetics, and advanced acceleration), and all areas depend on the enabling technologies activities, such as solvers and component technology, to deliver the desired performance and integrated simulation environment. The ComPASS applications focus on computationally challenging problems important for design or performance optimization to all major HEP, NP, and BES accelerator facilities. With the cost and complexity of particle accelerators rising, the use of computation to optimize their designs and find improved operating regimes becomes essential, potentially leading to significant cost savings with modest investment.« less

Modeling Time-Dependent Behavior of Concrete Affected by Alkali Silica Reaction in Variable Environmental Conditions.

PubMed

Alnaggar, Mohammed; Di Luzio, Giovanni; Cusatis, Gianluca

2017-04-28

Alkali Silica Reaction (ASR) is known to be a serious problem for concrete worldwide, especially in high humidity and high temperature regions. ASR is a slow process that develops over years to decades and it is influenced by changes in environmental and loading conditions of the structure. The problem becomes even more complicated if one recognizes that other phenomena like creep and shrinkage are coupled with ASR. This results in synergistic mechanisms that can not be easily understood without a comprehensive computational model. In this paper, coupling between creep, shrinkage and ASR is modeled within the Lattice Discrete Particle Model (LDPM) framework. In order to achieve this, a multi-physics formulation is used to compute the evolution of temperature, humidity, cement hydration, and ASR in both space and time, which is then used within physics-based formulations of cracking, creep and shrinkage. The overall model is calibrated and validated on the basis of experimental data available in the literature. Results show that even during free expansions (zero macroscopic stress), a significant degree of coupling exists because ASR induced expansions are relaxed by meso-scale creep driven by self-equilibriated stresses at the meso-scale. This explains and highlights the importance of considering ASR and other time dependent aging and deterioration phenomena at an appropriate length scale in coupled modeling approaches.

Modeling Time-Dependent Behavior of Concrete Affected by Alkali Silica Reaction in Variable Environmental Conditions

PubMed Central

Alnaggar, Mohammed; Di Luzio, Giovanni; Cusatis, Gianluca

2017-01-01

Alkali Silica Reaction (ASR) is known to be a serious problem for concrete worldwide, especially in high humidity and high temperature regions. ASR is a slow process that develops over years to decades and it is influenced by changes in environmental and loading conditions of the structure. The problem becomes even more complicated if one recognizes that other phenomena like creep and shrinkage are coupled with ASR. This results in synergistic mechanisms that can not be easily understood without a comprehensive computational model. In this paper, coupling between creep, shrinkage and ASR is modeled within the Lattice Discrete Particle Model (LDPM) framework. In order to achieve this, a multi-physics formulation is used to compute the evolution of temperature, humidity, cement hydration, and ASR in both space and time, which is then used within physics-based formulations of cracking, creep and shrinkage. The overall model is calibrated and validated on the basis of experimental data available in the literature. Results show that even during free expansions (zero macroscopic stress), a significant degree of coupling exists because ASR induced expansions are relaxed by meso-scale creep driven by self-equilibriated stresses at the meso-scale. This explains and highlights the importance of considering ASR and other time dependent aging and deterioration phenomena at an appropriate length scale in coupled modeling approaches. PMID:28772829

Droplet flow along the wall of rectangular channel with gradient of wettability

NASA Astrophysics Data System (ADS)

Kupershtokh, A. L.

2018-03-01

The lattice Boltzmann equations (LBE) method (LBM) is applicable for simulating the multiphysics problems of fluid flows with free boundaries, taking into account the viscosity, surface tension, evaporation and wetting degree of a solid surface. Modeling of the nonstationary motion of a drop of liquid along a solid surface with a variable level of wettability is carried out. For the computer simulation of such a problem, the three-dimensional lattice Boltzmann equations method D3Q19 is used. The LBE method allows us to parallelize the calculations on multiprocessor graphics accelerators using the CUDA programming technology.

Report from the Integrated Modeling Panel at the Workshop on the Science of Ignition on NIF

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

Marinak, M; Lamb, D

2012-07-03

This section deals with multiphysics radiation hydrodynamics codes used to design and simulate targets in the ignition campaign. These topics encompass all the physical processes they model, and include consideration of any approximations necessary due to finite computer resources. The section focuses on what developments would have the highest impact on reducing uncertainties in modeling most relevant to experimental observations. It considers how the ICF codes should be employed in the ignition campaign. This includes a consideration of how the experiments can be best structured to test the physical models the codes employ.

Development and investigation of MOEMS type displacement-pressure sensor for biological information monitoring

NASA Astrophysics Data System (ADS)

Ostasevicius, Vytautas; Malinauskas, Karolis; Janusas, Giedrius; Palevicius, Arvydas; Cekas, Elingas

2016-04-01

The aim of this paper is to develop and investigate MOEMS displacement-pressure sensor for biological information monitoring. Developing computational periodical microstructure models using COMSOL Multiphysics modeling software for modal and shape analysis and implementation of these results for design MOEMS displacement-pressure sensor for biological information monitoring was performed. The micro manufacturing technology of periodical microstructure having good diffraction efficiency was proposed. Experimental setup for characterisation of optical properties of periodical microstructure used for design of displacement-pressure sensor was created. Pulsating human artery dynamic characteristics in this paper were analysed.

AeroDyn V15.04: Design tool for wind and MHK turbines

DOE Data Explorer

Murray, Robynne; Hayman, Greg; Jonkman, Jason

2017-04-28

AeroDyn is a time-domain wind and MHK turbine aerodynamics module that can be coupled into the FAST version 8 multi-physics engineering tool to enable aero-elastic simulation of horizontal-axis wind turbines. AeroDyn V15.04 has been updated to include a cavitation check for MHK turbines, and can be driven as a standalone code to compute wind turbine aerodynamic response uncoupled from FAST. Note that while AeroDyn has been updated to v15.04, FAST v8.16 has not yet been updated and still uses AeroDyn v15.03.

Computational Simulations of the Lateral-Photovoltage-Scanning-Method

NASA Astrophysics Data System (ADS)

Kayser, S.; Lüdge, A.; Böttcher, K.

2018-05-01

The major task for the Lateral-Photovoltage-Scanning-Method is to detect doping striations and the shape of the solid-liquid-interface of an indirect semiconductor crystal. This method is sensitive to the gradient of the charge carrier density. Attempting to simulate the signal generation of the LPS-Method, we are using a three dimensional Finite Volume approach for solving the van Roosbroeck equations with COMSOL Multiphysics in a silicon sample. We show that the simulated LPS-voltage is directly proportional to the gradient of a given doping distribution, which is also the case for the measured LPS-voltage.

Topology optimization applied to the design of cooling channels for plastic injection

NASA Astrophysics Data System (ADS)

Muñoz, D. A.; Arango, J. P.; González, C.; Puerto, E.; Garzón, M.

2018-04-01

In this paper, topology optimization is applied to design cooling channels in a mold of structural steel. The problem was implemented in COMSOL multiphysics, where two physics were coupled, heat transfer and solid mechanics. The optimization objective is to maximize the conduction heat flux in the mold and minimize the deformations when the plastic is injected. In order to find an optimal geometry for this objective, a density-based method was implemented into the nonlinear program (NLP) for which feasible results were found.

Supercomputing with TOUGH2 family codes for coupled multi-physics simulations of geologic carbon sequestration

NASA Astrophysics Data System (ADS)

Yamamoto, H.; Nakajima, K.; Zhang, K.; Nanai, S.

2015-12-01

Powerful numerical codes that are capable of modeling complex coupled processes of physics and chemistry have been developed for predicting the fate of CO2 in reservoirs as well as its potential impacts on groundwater and subsurface environments. However, they are often computationally demanding for solving highly non-linear models in sufficient spatial and temporal resolutions. Geological heterogeneity and uncertainties further increase the challenges in modeling works. Two-phase flow simulations in heterogeneous media usually require much longer computational time than that in homogeneous media. Uncertainties in reservoir properties may necessitate stochastic simulations with multiple realizations. Recently, massively parallel supercomputers with more than thousands of processors become available in scientific and engineering communities. Such supercomputers may attract attentions from geoscientist and reservoir engineers for solving the large and non-linear models in higher resolutions within a reasonable time. However, for making it a useful tool, it is essential to tackle several practical obstacles to utilize large number of processors effectively for general-purpose reservoir simulators. We have implemented massively-parallel versions of two TOUGH2 family codes (a multi-phase flow simulator TOUGH2 and a chemically reactive transport simulator TOUGHREACT) on two different types (vector- and scalar-type) of supercomputers with a thousand to tens of thousands of processors. After completing implementation and extensive tune-up on the supercomputers, the computational performance was measured for three simulations with multi-million grid models, including a simulation of the dissolution-diffusion-convection process that requires high spatial and temporal resolutions to simulate the growth of small convective fingers of CO2-dissolved water to larger ones in a reservoir scale. The performance measurement confirmed that the both simulators exhibit excellent scalabilities showing almost linear speedup against number of processors up to over ten thousand cores. Generally this allows us to perform coupled multi-physics (THC) simulations on high resolution geologic models with multi-million grid in a practical time (e.g., less than a second per time step).

Enhancements to the SHARP Build System and NEK5000 Coupling

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

McCaskey, Alex; Bennett, Andrew R.; Billings, Jay Jay

The SHARP project for the Department of Energy's Nuclear Energy Advanced Modeling and Simulation (NEAMS) program provides a multiphysics framework for coupled simulations of advanced nuclear reactor designs. It provides an overall coupling environment that utilizes custom interfaces to couple existing physics codes through a common spatial decomposition and unique solution transfer component. As of this writing, SHARP couples neutronics, thermal hydraulics, and structural mechanics using PROTEUS, Nek5000, and Diablo respectively. This report details two primary SHARP improvements regarding the Nek5000 and Diablo individual physics codes: (1) an improved Nek5000 coupling interface that lets SHARP achieve a vast increase inmore » overall solution accuracy by manipulating the structure of the internal Nek5000 spatial mesh, and (2) the capability to seamlessly couple structural mechanics calculations into the framework through improvements to the SHARP build system. The Nek5000 coupling interface now uses a barycentric Lagrange interpolation method that takes the vertex-based power and density computed from the PROTEUS neutronics solver and maps it to the user-specified, general-order Nek5000 spectral element mesh. Before this work, SHARP handled this vertex-based solution transfer in an averaging-based manner. SHARP users can now achieve higher levels of accuracy by specifying any arbitrary Nek5000 spectral mesh order. This improvement takes the average percentage error between the PROTEUS power solution and the Nek5000 interpolated result down drastically from over 23 % to just above 2 %, and maintains the correct power profile. We have integrated Diablo into the SHARP build system to facilitate the future coupling of structural mechanics calculations into SHARP. Previously, simulations involving Diablo were done in an iterative manner, requiring a large amount manual work, and left only as a task for advanced users. This report will detail a new Diablo build system that was implemented using GNU Autotools, mirroring much of the current SHARP build system, and easing the use of structural mechanics calculations for end-users of the SHARP multiphysics framework. It lets users easily build and use Diablo as a stand-alone simulation, as well as fully couple with the other SHARP physics modules. The top-level SHARP build system was modified to allow Diablo to hook in directly. New dependency handlers were implemented to let SHARP users easily build the framework with these new simulation capabilities. The remainder of this report will describe this work in full, with a detailed discussion of the overall design philosophy of SHARP, the new solution interpolation method introduced, and the Diablo integration work. We will conclude with a discussion of possible future SHARP improvements that will serve to increase solution accuracy and framework capability.« less

Preliminary Results for the OECD/NEA Time Dependent Benchmark using Rattlesnake, Rattlesnake-IQS and TDKENO

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

DeHart, Mark D.; Mausolff, Zander; Weems, Zach

2016-08-01

One goal of the MAMMOTH M&S project is to validate the analysis capabilities within MAMMOTH. Historical data has shown limited value for validation of full three-dimensional (3D) multi-physics methods. Initial analysis considered the TREAT startup minimum critical core and one of the startup transient tests. At present, validation is focusing on measurements taken during the M8CAL test calibration series. These exercises will valuable in preliminary assessment of the ability of MAMMOTH to perform coupled multi-physics calculations; calculations performed to date are being used to validate the neutron transport solver Rattlesnake\\cite{Rattlesnake} and the fuels performance code BISON. Other validation projects outsidemore » of TREAT are available for single-physics benchmarking. Because the transient solution capability of Rattlesnake is one of the key attributes that makes it unique for TREAT transient simulations, validation of the transient solution of Rattlesnake using other time dependent kinetics benchmarks has considerable value. The Nuclear Energy Agency (NEA) of the Organization for Economic Cooperation and Development (OECD) has recently developed a computational benchmark for transient simulations. This benchmark considered both two-dimensional (2D) and 3D configurations for a total number of 26 different transients. All are negative reactivity insertions, typically returning to the critical state after some time.« less

Design of a Modular Monolithic Implicit Solver for Multi-Physics Applications

NASA Technical Reports Server (NTRS)

Carton De Wiart, Corentin; Diosady, Laslo T.; Garai, Anirban; Burgess, Nicholas; Blonigan, Patrick; Ekelschot, Dirk; Murman, Scott M.

2018-01-01

The design of a modular multi-physics high-order space-time finite-element framework is presented together with its extension to allow monolithic coupling of different physics. One of the main objectives of the framework is to perform efficient high- fidelity simulations of capsule/parachute systems. This problem requires simulating multiple physics including, but not limited to, the compressible Navier-Stokes equations, the dynamics of a moving body with mesh deformations and adaptation, the linear shell equations, non-re effective boundary conditions and wall modeling. The solver is based on high-order space-time - finite element methods. Continuous, discontinuous and C1-discontinuous Galerkin methods are implemented, allowing one to discretize various physical models. Tangent and adjoint sensitivity analysis are also targeted in order to conduct gradient-based optimization, error estimation, mesh adaptation, and flow control, adding another layer of complexity to the framework. The decisions made to tackle these challenges are presented. The discussion focuses first on the "single-physics" solver and later on its extension to the monolithic coupling of different physics. The implementation of different physics modules, relevant to the capsule/parachute system, are also presented. Finally, examples of coupled computations are presented, paving the way to the simulation of the full capsule/parachute system.

A multi-physics study of Li-ion battery material Li1+xTi2O4

NASA Astrophysics Data System (ADS)

Jiang, Tonghu; Falk, Michael; Siva Shankar Rudraraju, Krishna; Garikipati, Krishna; van der Ven, Anton

2013-03-01

Recently, lithium ion batteries have been subject to intense scientific study due to growing demand arising from their utilization in portable electronics, electric vehicles and other applications. Most cathode materials in lithium ion batteries involve a two-phase process during charging and discharging, and the rate of these processes is typically limited by the slow interface mobility. We have undertaken modeling regarding how lithium diffusion in the interface region affects the motion of the phase boundary. We have developed a multi-physics computational method suitable for predicting time evolution of the driven interface. In this method, we calculate formation energies and migration energy barriers by ab initio methods, which are then approximated by cluster expansions. Monte Carlo calculation is further employed to obtain thermodynamic and kinetic information, e.g., anisotropic interfacial energies, and mobilities, which are used to parameterize continuum modeling of the charging and discharging processes. We test this methodology on spinel Li1+xTi2O4. Elastic effects are incorporated into the calculations to determine the effect of variations in modulus and strain on stress concentrations and failure modes within the material. We acknowledge support by the National Science Foundation Cyber Discovery and Innovation Program under Award No. 1027765.

A journey from nuclear criticality methods to high energy density radflow experiments

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

Urbatsch, Todd James

Los Alamos National Laboratory is a nuclear weapons laboratory supporting our nation's defense. In support of this mission is a high energy-density physics program in which we design and execute experiments to study radiationhydrodynamics phenomena and improve the predictive capability of our largescale multi-physics software codes on our big-iron computers. The Radflow project’s main experimental effort now is to understand why we haven't been able to predict opacities on Sandia National Laboratory's Z-machine. We are modeling an increasing fraction of the Z-machine's dynamic hohlraum to find multi-physics explanations for the experimental results. Further, we are building an entirely different opacitymore » platform on Lawrence Livermore National Laboratory's National Ignition Facility (NIF), which is set to get results early 2017. Will the results match our predictions, match the Z-machine, or give us something entirely different? The new platform brings new challenges such as designing hohlraums and spectrometers. The speaker will recount his history, starting with one-dimensional Monte Carlo nuclear criticality methods in graduate school, radiative transfer methods research and software development for his first 16 years at LANL, and, now, radflow technology and experiments. Who knew that the real world was more than just radiation transport? Experiments aren't easy, but they sure are fun.« less

Modeling and simulation challenges pursued by the Consortium for Advanced Simulation of Light Water Reactors (CASL)

NASA Astrophysics Data System (ADS)

Turinsky, Paul J.; Kothe, Douglas B.

2016-05-01

The Consortium for the Advanced Simulation of Light Water Reactors (CASL), the first Energy Innovation Hub of the Department of Energy, was established in 2010 with the goal of providing modeling and simulation (M&S) capabilities that support and accelerate the improvement of nuclear energy's economic competitiveness and the reduction of spent nuclear fuel volume per unit energy, and all while assuring nuclear safety. To accomplish this requires advances in M&S capabilities in radiation transport, thermal-hydraulics, fuel performance and corrosion chemistry. To focus CASL's R&D, industry challenge problems have been defined, which equate with long standing issues of the nuclear power industry that M&S can assist in addressing. To date CASL has developed a multi-physics ;core simulator; based upon pin-resolved radiation transport and subchannel (within fuel assembly) thermal-hydraulics, capitalizing on the capabilities of high performance computing. CASL's fuel performance M&S capability can also be optionally integrated into the core simulator, yielding a coupled multi-physics capability with untapped predictive potential. Material models have been developed to enhance predictive capabilities of fuel clad creep and growth, along with deeper understanding of zirconium alloy clad oxidation and hydrogen pickup. Understanding of corrosion chemistry (e.g., CRUD formation) has evolved at all scales: micro, meso and macro. CFD R&D has focused on improvement in closure models for subcooled boiling and bubbly flow, and the formulation of robust numerical solution algorithms. For multiphysics integration, several iterative acceleration methods have been assessed, illuminating areas where further research is needed. Finally, uncertainty quantification and data assimilation techniques, based upon sampling approaches, have been made more feasible for practicing nuclear engineers via R&D on dimensional reduction and biased sampling. Industry adoption of CASL's evolving M&S capabilities, which is in progress, will assist in addressing long-standing and future operational and safety challenges of the nuclear industry.

Coarse-grained component concurrency in Earth system modeling: parallelizing atmospheric radiative transfer in the GFDL AM3 model using the Flexible Modeling System coupling framework

NASA Astrophysics Data System (ADS)

Balaji, V.; Benson, Rusty; Wyman, Bruce; Held, Isaac

2016-10-01

Climate models represent a large variety of processes on a variety of timescales and space scales, a canonical example of multi-physics multi-scale modeling. Current hardware trends, such as Graphical Processing Units (GPUs) and Many Integrated Core (MIC) chips, are based on, at best, marginal increases in clock speed, coupled with vast increases in concurrency, particularly at the fine grain. Multi-physics codes face particular challenges in achieving fine-grained concurrency, as different physics and dynamics components have different computational profiles, and universal solutions are hard to come by. We propose here one approach for multi-physics codes. These codes are typically structured as components interacting via software frameworks. The component structure of a typical Earth system model consists of a hierarchical and recursive tree of components, each representing a different climate process or dynamical system. This recursive structure generally encompasses a modest level of concurrency at the highest level (e.g., atmosphere and ocean on different processor sets) with serial organization underneath. We propose to extend concurrency much further by running more and more lower- and higher-level components in parallel with each other. Each component can further be parallelized on the fine grain, potentially offering a major increase in the scalability of Earth system models. We present here first results from this approach, called coarse-grained component concurrency, or CCC. Within the Geophysical Fluid Dynamics Laboratory (GFDL) Flexible Modeling System (FMS), the atmospheric radiative transfer component has been configured to run in parallel with a composite component consisting of every other atmospheric component, including the atmospheric dynamics and all other atmospheric physics components. We will explore the algorithmic challenges involved in such an approach, and present results from such simulations. Plans to achieve even greater levels of coarse-grained concurrency by extending this approach within other components, such as the ocean, will be discussed.

Multi-Modalities Sensor Science

DTIC Science & Technology

2015-02-28

enhanced multi-mode sensor science. bio -sensing, cross-discipling, multi-physics, nano-technology sailing He +46-8790 8465 1 Final Report for SOARD Project...spectroscopy, nano-technology, biophotonics and multi-physics modeling to produce adaptable bio -nanostructure enhanced multi-mode sensor science. 1...adaptable bio -nanostructure enhanced multi-mode sensor science. The accomplishments includes 1) A General Method for Designing a Radome to Enhance

CFD Vision 2030 Study: A Path to Revolutionary Computational Aerosciences

NASA Technical Reports Server (NTRS)

Slotnick, Jeffrey; Khodadoust, Abdollah; Alonso, Juan; Darmofal, David; Gropp, William; Lurie, Elizabeth; Mavriplis, Dimitri

2014-01-01

This report documents the results of a study to address the long range, strategic planning required by NASA's Revolutionary Computational Aerosciences (RCA) program in the area of computational fluid dynamics (CFD), including future software and hardware requirements for High Performance Computing (HPC). Specifically, the "Vision 2030" CFD study is to provide a knowledge-based forecast of the future computational capabilities required for turbulent, transitional, and reacting flow simulations across a broad Mach number regime, and to lay the foundation for the development of a future framework and/or environment where physics-based, accurate predictions of complex turbulent flows, including flow separation, can be accomplished routinely and efficiently in cooperation with other physics-based simulations to enable multi-physics analysis and design. Specific technical requirements from the aerospace industrial and scientific communities were obtained to determine critical capability gaps, anticipated technical challenges, and impediments to achieving the target CFD capability in 2030. A preliminary development plan and roadmap were created to help focus investments in technology development to help achieve the CFD vision in 2030.

Multiscale framework for predicting the coupling between deformation and fluid diffusion in porous rocks

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

Andrade, José E; Rudnicki, John W

2012-12-14

In this project, a predictive multiscale framework will be developed to simulate the strong coupling between solid deformations and fluid diffusion in porous rocks. We intend to improve macroscale modeling by incorporating fundamental physical modeling at the microscale in a computationally efficient way. This is an essential step toward further developments in multiphysics modeling, linking hydraulic, thermal, chemical, and geomechanical processes. This research will focus on areas where severe deformations are observed, such as deformation bands, where classical phenomenology breaks down. Multiscale geometric complexities and key geomechanical and hydraulic attributes of deformation bands (e.g., grain sliding and crushing, and poremore » collapse, causing interstitial fluid expulsion under saturated conditions), can significantly affect the constitutive response of the skeleton and the intrinsic permeability. Discrete mechanics (DEM) and the lattice Boltzmann method (LBM) will be used to probe the microstructure---under the current state---to extract the evolution of macroscopic constitutive parameters and the permeability tensor. These evolving macroscopic constitutive parameters are then directly used in continuum scale predictions using the finite element method (FEM) accounting for the coupled solid deformation and fluid diffusion. A particularly valuable aspect of this research is the thorough quantitative verification and validation program at different scales. The multiscale homogenization framework will be validated using X-ray computed tomography and 3D digital image correlation in situ at the Advanced Photon Source in Argonne National Laboratories. Also, the hierarchical computations at the specimen level will be validated using the aforementioned techniques in samples of sandstone undergoing deformation bands.« less

A Posteriori Error Analysis and Uncertainty Quantification for Adaptive Multiscale Operator Decomposition Methods for Multiphysics Problems

DTIC Science & Technology

2014-04-01

Barrier methods for critical exponent problems in geometric analysis and mathematical physics, J. Erway and M. Holst, Submitted for publication ...TR-14-33 A Posteriori Error Analysis and Uncertainty Quantification for Adaptive Multiscale Operator Decomposition Methods for Multiphysics...Problems Approved for public release, distribution is unlimited. April 2014 HDTRA1-09-1-0036 Donald Estep and Michael

Efficient solvers for coupled models in respiratory mechanics.

PubMed

Verdugo, Francesc; Roth, Christian J; Yoshihara, Lena; Wall, Wolfgang A

2017-02-01

We present efficient preconditioners for one of the most physiologically relevant pulmonary models currently available. Our underlying motivation is to enable the efficient simulation of such a lung model on high-performance computing platforms in order to assess mechanical ventilation strategies and contributing to design more protective patient-specific ventilation treatments. The system of linear equations to be solved using the proposed preconditioners is essentially the monolithic system arising in fluid-structure interaction (FSI) extended by additional algebraic constraints. The introduction of these constraints leads to a saddle point problem that cannot be solved with usual FSI preconditioners available in the literature. The key ingredient in this work is to use the idea of the semi-implicit method for pressure-linked equations (SIMPLE) for getting rid of the saddle point structure, resulting in a standard FSI problem that can be treated with available techniques. The numerical examples show that the resulting preconditioners approach the optimal performance of multigrid methods, even though the lung model is a complex multiphysics problem. Moreover, the preconditioners are robust enough to deal with physiologically relevant simulations involving complex real-world patient-specific lung geometries. The same approach is applicable to other challenging biomedical applications where coupling between flow and tissue deformations is modeled with additional algebraic constraints. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Effects of surface roughening on the mass transport and mechanical properties of ionic polymer-metal composite

NASA Astrophysics Data System (ADS)

Chang, Longfei; Asaka, Kinji; Zhu, Zicai; Wang, Yanjie; Chen, Hualing; Li, Dichen

2014-06-01

Ionic Polymer-Metal Composite (IPMC) has been well-documented of being a promising functional material in extensive applications. In its most popular and traditional manufacturing technique, roughening is a key process to ensure a satisfying performance. In this paper, based on a lately established multi-physical model, the effect of roughening process on the inner mass transportation and the electro-active output of IPMC were investigated. In the model, the electro-chemical field was monitored by Poisson equation and a properly simplified Nernst-Planck equation set, while the mechanical field was evaluated on the basis of volume strain effect. Furthermore, with Ramo-Shockley theorem, the out-circuit current and accumulated charge on the electrode were bridged with the inner cation distribution. Besides, nominal current and charge density as well as the curvature of the deformation were evaluated to characterize the performance of IPMC. The simulation was implemented by Finite Element Method with Comsol Multi-physics, based on two groups of geometrical models, those with various rough interface and those with different thickness. The results of how the roughening impact influences on the performance of IPMC were discussed progressively in three aspects, steady-state distribution of local potential and mass concentration, current response and charge accumulation, as well as the curvature of deformation. Detailed explanations for the performance improvement resulted from surface roughening were provided from the micro-distribution point of view, which can be further explored for the process optimization of IPMC.

Elliptical superconducting RF cavities for FRIB energy upgrade

NASA Astrophysics Data System (ADS)

Ostroumov, P. N.; Contreras, C.; Plastun, A. S.; Rathke, J.; Schultheiss, T.; Taylor, A.; Wei, J.; Xu, M.; Xu, T.; Zhao, Q.; Gonin, I. V.; Khabiboulline, T.; Pischalnikov, Y.; Yakovlev, V. P.

2018-04-01

The multi-physics design of a five cell, βG = 0 . 61, 644 MHz superconducting elliptical cavity being developed for an energy upgrade in the Facility for Rare Isotope Beams (FRIB) is presented. The FRIB energy upgrade from 200 MeV/u to 400 MeV/u for heaviest uranium ions will increase the intensities of rare isotope beams by nearly an order of magnitude. After studying three different frequencies, 1288 MHz, 805 MHz, and 644 MHz, the 644 MHz cavity was shown to provide the highest energy gain per cavity for both uranium and protons. The FRIB upgrade will include 11 cryomodules containing 5 cavities each and installed in 80-meter available space in the tunnel. The cavity development included extensive multi-physics optimization, mechanical and engineering analysis. The development of a niobium cavity is complete and two cavities are being fabricated in industry. The detailed design of the cavity sub-systems such as fundamental power coupler and dynamic tuner are currently being pursued. In the overall design of the cavity and its sub-systems we extensively applied experience gained during the development of 650 MHz low-beta cavities at Fermi National Accelerator Laboratory (FNAL) for the Proton Improvement Plan (PIP) II.

Data-driven prognosis: a multi-physics approach verified via balloon burst experiment.

PubMed

Chandra, Abhijit; Kar, Oliva

2015-04-08

A multi-physics formulation for data-driven prognosis (DDP) is developed. Unlike traditional predictive strategies that require controlled offline measurements or 'training' for determination of constitutive parameters to derive the transitional statistics, the proposed DDP algorithm relies solely on in situ measurements. It uses a deterministic mechanics framework, but the stochastic nature of the solution arises naturally from the underlying assumptions regarding the order of the conservation potential as well as the number of dimensions involved. The proposed DDP scheme is capable of predicting onset of instabilities. Because the need for offline testing (or training) is obviated, it can be easily implemented for systems where such a priori testing is difficult or even impossible to conduct. The prognosis capability is demonstrated here via a balloon burst experiment where the instability is predicted using only online visual observations. The DDP scheme never failed to predict the incipient failure, and no false-positives were issued. The DDP algorithm is applicable to other types of datasets. Time horizons of DDP predictions can be adjusted by using memory over different time windows. Thus, a big dataset can be parsed in time to make a range of predictions over varying time horizons.

A multi-physics model for ultrasonically activated soft tissue.

PubMed

Suvranu De, Rahul

2017-02-01

A multi-physics model has been developed to investigate the effects of cellular level mechanisms on the thermomechanical response of ultrasonically activated soft tissue. Cellular level cavitation effects have been incorporated in the tissue level continuum model to accurately determine the thermodynamic states such as temperature and pressure. A viscoelastic material model is assumed for the macromechanical response of the tissue. The cavitation model based equation-of-state provides the additional pressure arising from evaporation of intracellular and cellular water by absorbing heat due to structural and viscoelastic heating in the tissue, and temperature to the continuum level thermomechanical model. The thermomechanical response of soft tissue is studied for the operational range of frequencies of oscillations and applied loads for typical ultrasonically activated surgical instruments. The model is shown to capture characteristics of ultrasonically activated soft tissue deformation and temperature evolution. At the cellular level, evaporation of water below the boiling temperature under ambient conditions is indicative of protein denaturation around the temperature threshold for coagulation of tissues. Further, with increasing operating frequency (or loading), the temperature rises faster leading to rapid evaporation of tissue cavity water, which may lead to accelerated protein denaturation and coagulation.

Multiphysics of bone remodeling: A 2D mesoscale activation simulation.

PubMed

Spingarn, C; Wagner, D; Rémond, Y; George, D

2017-01-01

In this work, we present an evolutive trabecular model for bone remodeling based on a boundary detection algorithm accounting for both biology and applied mechanical forces, known to be an important factor in bone evolution. A finite element (FE) numerical model using the Abaqus/Standard® software was used with a UMAT subroutine to solve the governing coupled mechanical-biological non-linear differential equations of the bone evolution model. The simulations present cell activation on a simplified trabeculae configuration organization with trabecular thickness of 200µm. For this activation process, the results confirm that the trabeculae are mainly oriented in the active direction of the principal mechanical stresses and according to the principal applied mechanical load directions. The trabeculae surface activation is clearly identified and can provide understanding of the different bone cell activations in more complex geometries and load conditions.

Implementing a Loosely Coupled Fluid Structure Interaction Finite Element Model in PHASTA

NASA Astrophysics Data System (ADS)

Pope, David

Fluid Structure Interaction problems are an important multi-physics phenomenon in the design of aerospace vehicles and other engineering applications. A variety of computational fluid dynamics solvers capable of resolving the fluid dynamics exist. PHASTA is one such computational fluid dynamics solver. Enhancing the capability of PHASTA to resolve Fluid-Structure Interaction first requires implementing a structural dynamics solver. The implementation also requires a correction of the mesh used to solve the fluid equations to account for the deformation of the structure. This results in mesh motion and causes the need for an Arbitrary Lagrangian-Eulerian modification to the fluid dynamics equations currently implemented in PHASTA. With the implementation of both structural dynamics physics, mesh correction, and the Arbitrary Lagrangian-Eulerian modification of the fluid dynamics equations, PHASTA is made capable of solving Fluid-Structure Interaction problems.

MOOSE: A PARALLEL COMPUTATIONAL FRAMEWORK FOR COUPLED SYSTEMS OF NONLINEAR EQUATIONS.

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

G. Hansen; C. Newman; D. Gaston

Systems of coupled, nonlinear partial di?erential equations often arise in sim- ulation of nuclear processes. MOOSE: Multiphysics Ob ject Oriented Simulation Environment, a parallel computational framework targeted at solving these systems is presented. As opposed to traditional data / ?ow oriented com- putational frameworks, MOOSE is instead founded on mathematics based on Jacobian-free Newton Krylov (JFNK). Utilizing the mathematical structure present in JFNK, physics are modularized into “Kernels” allowing for rapid production of new simulation tools. In addition, systems are solved fully cou- pled and fully implicit employing physics based preconditioning allowing for a large amount of ?exibility even withmore » large variance in time scales. Background on the mathematics, an inspection of the structure of MOOSE and several rep- resentative solutions from applications built on the framework are presented.« less

Explicit integration with GPU acceleration for large kinetic networks

DOE PAGES

Brock, Benjamin; Belt, Andrew; Billings, Jay Jay; ...

2015-09-15

In this study, we demonstrate the first implementation of recently-developed fast explicit kinetic integration algorithms on modern graphics processing unit (GPU) accelerators. Taking as a generic test case a Type Ia supernova explosion with an extremely stiff thermonuclear network having 150 isotopic species and 1604 reactions coupled to hydrodynamics using operator splitting, we demonstrate the capability to solve of order 100 realistic kinetic networks in parallel in the same time that standard implicit methods can solve a single such network on a CPU. In addition, this orders-of-magnitude decrease in computation time for solving systems of realistic kinetic networks implies thatmore » important coupled, multiphysics problems in various scientific and technical fields that were intractable, or could be simulated only with highly schematic kinetic networks, are now computationally feasible.« less

On the use of reverse Brownian motion to accelerate hybrid simulations

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

Bakarji, Joseph; Tartakovsky, Daniel M., E-mail: tartakovsky@stanford.edu

Multiscale and multiphysics simulations are two rapidly developing fields of scientific computing. Efficient coupling of continuum (deterministic or stochastic) constitutive solvers with their discrete (stochastic, particle-based) counterparts is a common challenge in both kinds of simulations. We focus on interfacial, tightly coupled simulations of diffusion that combine continuum and particle-based solvers. The latter employs the reverse Brownian motion (rBm), a Monte Carlo approach that allows one to enforce inhomogeneous Dirichlet, Neumann, or Robin boundary conditions and is trivially parallelizable. We discuss numerical approaches for improving the accuracy of rBm in the presence of inhomogeneous Neumann boundary conditions and alternative strategiesmore » for coupling the rBm solver with its continuum counterpart. Numerical experiments are used to investigate the convergence, stability, and computational efficiency of the proposed hybrid algorithm.« less

Phase-field model simulation of ferroelectric/antiferroelectric materials microstructure evolution under multiphysics loading

NASA Astrophysics Data System (ADS)

Zhang, Jingyi

Ferroelectric (FE) and closely related antiferroelectric (AFE) materials have unique electromechanical properties that promote various applications in the area of capacitors, sensors, generators (FE) and high density energy storage (AFE). These smart materials with extensive applications have drawn wide interest in the industrial and scientific world because of their reliability and tunable property. However, reliability issues changes its paradigms and requires guidance from detailed mechanism theory as the materials applications are pushed for better performance. A host of modeling work were dedicated to study the macro-structural behavior and microstructural evolution in FE and AFE material under various conditions. This thesis is focused on direct observation of domain evolution under multiphysics loading for both FE and AFE material. Landau-Devonshire time-dependent phase field models were built for both materials, and were simulated in finite element software Comsol. In FE model, dagger-shape 90 degree switched domain was observed at preexisting crack tip under pure mechanical loading. Polycrystal structure was tested under same condition, and blocking effect of the growth of dagger-shape switched domain from grain orientation difference and/or grain boundary was directly observed. AFE ceramic model was developed using two sublattice theory, this model was used to investigate the mechanism of energy efficiency increase with self-confined loading in experimental tests. Consistent results was found in simulation and careful investigation of calculation results gave confirmation that origin of energy density increase is from three aspects: self-confinement induced inner compression field as the cause of increase of critical field, fringe leak as the source of elevated saturation polarization and uneven defects distribution as the reason for critical field shifting and phase transition speed. Another important affecting aspect in polycrystalline materials is the texture of material, textured materials have better alignment and the alignment reorganization is associated with inelastic strain. We developed a vector field of alignment to describe texture degree and introduced the alignment vector into our FE and AFE model. The model with alignment field gave quantatively results for the well-recognized irreversible strain in AFE virgin ceramics during the first poling process. The texture field also shows a shielding zone under mechanical loading around existing crack tip. In conclusion, this thesis developed working models of FE and AFE material and systematically studied their behavior under multiphysics loading in a finite element analysis approach. Materials structure of polycrystal materials including grain orientation, grain boundary, defects and materials texture were tested for their effect on hysteresis and switched domain growth. Detailed microstructure development in domain switching and alignment was directly observed in this simulation.

Otto Laporte Award Talk - In light of Fluid Mechanics

NASA Astrophysics Data System (ADS)

Gharib, Morteza

2015-11-01

Fluid mechanics, in its inherent non-linear beauty, has been its own laboratory, testing our perseverance and dedication to a branch of science that, despite its perceived maturity, still has many surprises to offer. For many of us, the study of fluid flow has been our path to understanding the complexity of nature. My journey has taken me through many interesting projects including the development of new visualization tools, scrutinizing the rhythms of the human heart, observing flow vortices and studying the dynamics of soap films. But this lecture is mainly devoted to a new example of my research activities where light and flow physics interweave to display another intriguing multi-physics beauty of nature.

SIERRA Code Coupling Module: Arpeggio User Manual Version 4.44

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

Subia, Samuel R.; Overfelt, James R.; Baur, David G.

2017-04-01

The SNL Sierra Mechanics code suite is designed to enable simulation of complex multiphysics scenarios. The code suite is composed of several specialized applications which can operate either in standalone mode or coupled with each other. Arpeggio is a supported utility that enables loose coupling of the various Sierra Mechanics applications by providing access to Framework services that facilitate the coupling. More importantly Arpeggio orchestrates the execution of applications that participate in the coupling. This document describes the various components of Arpeggio and their operability. The intent of the document is to provide a fast path for analysts interested inmore » coupled applications via simple examples of its usage.« less

Grizzly Usage and Theory Manual

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

Spencer, B. W.; Backman, M.; Chakraborty, P.

2016-03-01

Grizzly is a multiphysics simulation code for characterizing the behavior of nuclear power plant (NPP) structures, systems and components (SSCs) subjected to a variety of age-related aging mechanisms. Grizzly simulates both the progression of aging processes, as well as the capacity of aged components to safely perform. This initial beta release of Grizzly includes capabilities for engineering-scale thermo-mechanical analysis of reactor pressure vessels (RPVs). Grizzly will ultimately include capabilities for a wide range of components and materials. Grizzly is in a state of constant development, and future releases will broaden the capabilities of this code for RPV analysis, as wellmore » as expand it to address degradation in other critical NPP components.« less

OECD-NEA Expert Group on Multi-Physics Experimental Data, Benchmarks and Validation

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

Valentine, Timothy; Rohatgi, Upendra S.

High-fidelity, multi-physics modeling and simulation (M&S) tools are being developed and utilized for a variety of applications in nuclear science and technology and show great promise in their abilities to reproduce observed phenomena for many applications. Even with the increasing fidelity and sophistication of coupled multi-physics M&S tools, the underpinning models and data still need to be validated against experiments that may require a more complex array of validation data because of the great breadth of the time, energy and spatial domains of the physical phenomena that are being simulated. The Expert Group on Multi-Physics Experimental Data, Benchmarks and Validationmore » (MPEBV) of the Nuclear Energy Agency (NEA) of the Organization for Economic Cooperation and Development (OECD) was formed to address the challenges with the validation of such tools. The work of the MPEBV expert group is shared among three task forces to fulfill its mandate and specific exercises are being developed to demonstrate validation principles for common industrial challenges. This paper describes the overall mission of the group, the specific objectives of the task forces, the linkages among the task forces, and the development of a validation exercise that focuses on a specific reactor challenge problem.« less

Band gaps in grid structure with periodic local resonator subsystems

NASA Astrophysics Data System (ADS)

Zhou, Xiaoqin; Wang, Jun; Wang, Rongqi; Lin, Jieqiong

2017-09-01

The grid structure is widely used in architectural and mechanical field for its high strength and saving material. This paper will present a study on an acoustic metamaterial beam (AMB) based on the normal square grid structure with local resonators owning both flexible band gaps and high static stiffness, which have high application potential in vibration control. Firstly, the AMB with variable cross-section frame is analytically modeled by the beam-spring-mass model that is provided by using the extended Hamilton’s principle and Bloch’s theorem. The above model is used for computing the dispersion relation of the designed AMB in terms of the design parameters, and the influences of relevant parameters on band gaps are discussed. Then a two-dimensional finite element model of the AMB is built and analyzed in COMSOL Multiphysics, both the dispersion properties of unit cell and the wave attenuation in a finite AMB have fine agreement with the derived model. The effects of design parameters of the two-dimensional model in band gaps are further examined, and the obtained results can well verify the analytical model. Finally, the wave attenuation performances in three-dimensional AMBs with equal and unequal thickness are presented and discussed.

Trust-region based return mapping algorithm for implicit integration of elastic-plastic constitutive models

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

Lester, Brian; Scherzinger, William

2017-01-19

Here, a new method for the solution of the non-linear equations forming the core of constitutive model integration is proposed. Specifically, the trust-region method that has been developed in the numerical optimization community is successfully modified for use in implicit integration of elastic-plastic models. Although attention here is restricted to these rate-independent formulations, the proposed approach holds substantial promise for adoption with models incorporating complex physics, multiple inelastic mechanisms, and/or multiphysics. As a first step, the non-quadratic Hosford yield surface is used as a representative case to investigate computationally challenging constitutive models. The theory and implementation are presented, discussed, andmore » compared to other common integration schemes. Multiple boundary value problems are studied and used to verify the proposed algorithm and demonstrate the capabilities of this approach over more common methodologies. Robustness and speed are then investigated and compared to existing algorithms. Through these efforts, it is shown that the utilization of a trust-region approach leads to superior performance versus a traditional closest-point projection Newton-Raphson method and comparable speed and robustness to a line search augmented scheme.« less

Trust-region based return mapping algorithm for implicit integration of elastic-plastic constitutive models

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

Lester, Brian T.; Scherzinger, William M.

2017-01-19

A new method for the solution of the non-linear equations forming the core of constitutive model integration is proposed. Specifically, the trust-region method that has been developed in the numerical optimization community is successfully modified for use in implicit integration of elastic-plastic models. Although attention here is restricted to these rate-independent formulations, the proposed approach holds substantial promise for adoption with models incorporating complex physics, multiple inelastic mechanisms, and/or multiphysics. As a first step, the non-quadratic Hosford yield surface is used as a representative case to investigate computationally challenging constitutive models. The theory and implementation are presented, discussed, and comparedmore » to other common integration schemes. Multiple boundary value problems are studied and used to verify the proposed algorithm and demonstrate the capabilities of this approach over more common methodologies. Robustness and speed are then investigated and compared to existing algorithms. As a result through these efforts, it is shown that the utilization of a trust-region approach leads to superior performance versus a traditional closest-point projection Newton-Raphson method and comparable speed and robustness to a line search augmented scheme.« less

Computational prediction of strain-dependent diffusion of transcription factors through the cell nucleus.

PubMed

Nava, Michele M; Fedele, Roberto; Raimondi, Manuela T

2016-08-01

Nuclear spreading plays a crucial role in stem cell fate determination. In previous works, we reported evidence of multipotency maintenance for mesenchymal stromal cells cultured on three-dimensional engineered niche substrates, fabricated via two-photon laser polymerization. We correlated maintenance of multipotency to a more roundish morphology of these cells with respect to those cultured on conventional flat substrates. To interpret these findings, here we present a multiphysics model coupling nuclear strains induced by cell adhesion to passive diffusion across the cell nucleus. Fully three-dimensional reconstructions of cultured cells were developed on the basis of confocal images: in particular, the level of nuclear spreading resulted significantly dependent on the cell localization within the niche architecture. We assumed that the cell diffusivity varies as a function of the local volumetric strain. The model predictions indicate that the higher the level of spreading of the cell, the higher the flux across the nucleus of small solutes such as transcription factors. Our results point toward nuclear spreading as a primary mechanism by which the stem cell translates its shape into a fate decision, i.e., by amplifying the diffusive flow of transcriptional activators into the nucleus.

Full System Modeling and Validation of the Carbon Dioxide Removal Assembly

NASA Technical Reports Server (NTRS)

Coker, Robert; Knox, James; Gauto, Hernando; Gomez, Carlos

2014-01-01

The Atmosphere Revitalization Recovery and Environmental Monitoring (ARREM) project was initiated in September of 2011 as part of the Advanced Exploration Systems (AES) program. Under the ARREM project, testing of sub-scale and full-scale systems has been combined with multiphysics computer simulations for evaluation and optimization of subsystem approaches. In particular, this paper describes the testing and modeling of various subsystems of the carbon dioxide removal assembly (CDRA). The goal is a full system predictive model of CDRA to guide system optimization and development. The development of the CO2 removal and associated air-drying subsystem hardware under the ARREM project is discussed in a companion paper.

Automating Embedded Analysis Capabilities and Managing Software Complexity in Multiphysics Simulation, Part I: Template-Based Generic Programming

DOE PAGES

Pawlowski, Roger P.; Phipps, Eric T.; Salinger, Andrew G.

2012-01-01

An approach for incorporating embedded simulation and analysis capabilities in complex simulation codes through template-based generic programming is presented. This approach relies on templating and operator overloading within the C++ language to transform a given calculation into one that can compute a variety of additional quantities that are necessary for many state-of-the-art simulation and analysis algorithms. An approach for incorporating these ideas into complex simulation codes through general graph-based assembly is also presented. These ideas have been implemented within a set of packages in the Trilinos framework and are demonstrated on a simple problem from chemical engineering.

Model of depositing layer on cylindrical surface produced by induction-assisted laser cladding process

NASA Astrophysics Data System (ADS)

Kotlan, Václav; Hamar, Roman; Pánek, David; Doležel, Ivo

2017-12-01

A model of hybrid cladding on a cylindrical surface is built and numerically solved. Heating of both substrate and the powder material to be deposited on its surface is realized by laser beam and preheating inductor. The task represents a hard-coupled electromagnetic-thermal problem with time-varying geometry. Two specific algorithms are developed to incorporate this effect into the model, driven by local distribution of temperature and its gradients. The algorithms are implemented into the COMSOL Multiphysics 5.2 code that is used for numerical computations of the task. The methodology is illustrated with a typical example whose results are discussed.

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

Heroux, Michael; Lethin, Richard

Programming models and environments play the essential roles in high performance computing of enabling the conception, design, implementation and execution of science and engineering application codes. Programmer productivity is strongly influenced by the effectiveness of our programming models and environments, as is software sustainability since our codes have lifespans measured in decades, so the advent of new computing architectures, increased concurrency, concerns for resilience, and the increasing demands for high-fidelity, multi-physics, multi-scale and data-intensive computations mean that we have new challenges to address as part of our fundamental R&D requirements. Fortunately, we also have new tools and environments that makemore » design, prototyping and delivery of new programming models easier than ever. The combination of new and challenging requirements and new, powerful toolsets enables significant synergies for the next generation of programming models and environments R&D. This report presents the topics discussed and results from the 2014 DOE Office of Science Advanced Scientific Computing Research (ASCR) Programming Models & Environments Summit, and subsequent discussions among the summit participants and contributors to topics in this report.« less

PROTO-PLASM: parallel language for adaptive and scalable modelling of biosystems.

PubMed

Bajaj, Chandrajit; DiCarlo, Antonio; Paoluzzi, Alberto

2008-09-13

This paper discusses the design goals and the first developments of PROTO-PLASM, a novel computational environment to produce libraries of executable, combinable and customizable computer models of natural and synthetic biosystems, aiming to provide a supporting framework for predictive understanding of structure and behaviour through multiscale geometric modelling and multiphysics simulations. Admittedly, the PROTO-PLASM platform is still in its infancy. Its computational framework--language, model library, integrated development environment and parallel engine--intends to provide patient-specific computational modelling and simulation of organs and biosystem, exploiting novel functionalities resulting from the symbolic combination of parametrized models of parts at various scales. PROTO-PLASM may define the model equations, but it is currently focused on the symbolic description of model geometry and on the parallel support of simulations. Conversely, CellML and SBML could be viewed as defining the behavioural functions (the model equations) to be used within a PROTO-PLASM program. Here we exemplify the basic functionalities of PROTO-PLASM, by constructing a schematic heart model. We also discuss multiscale issues with reference to the geometric and physical modelling of neuromuscular junctions.

Proto-Plasm: parallel language for adaptive and scalable modelling of biosystems

PubMed Central

Bajaj, Chandrajit; DiCarlo, Antonio; Paoluzzi, Alberto

2008-01-01

This paper discusses the design goals and the first developments of Proto-Plasm, a novel computational environment to produce libraries of executable, combinable and customizable computer models of natural and synthetic biosystems, aiming to provide a supporting framework for predictive understanding of structure and behaviour through multiscale geometric modelling and multiphysics simulations. Admittedly, the Proto-Plasm platform is still in its infancy. Its computational framework—language, model library, integrated development environment and parallel engine—intends to provide patient-specific computational modelling and simulation of organs and biosystem, exploiting novel functionalities resulting from the symbolic combination of parametrized models of parts at various scales. Proto-Plasm may define the model equations, but it is currently focused on the symbolic description of model geometry and on the parallel support of simulations. Conversely, CellML and SBML could be viewed as defining the behavioural functions (the model equations) to be used within a Proto-Plasm program. Here we exemplify the basic functionalities of Proto-Plasm, by constructing a schematic heart model. We also discuss multiscale issues with reference to the geometric and physical modelling of neuromuscular junctions. PMID:18559320

Multi-physics modelling approach for oscillatory microengines: application for a microStirling generator design

NASA Astrophysics Data System (ADS)

Formosa, F.; Fréchette, L. G.

2015-12-01

An electrical circuit equivalent (ECE) approach has been set up allowing elementary oscillatory microengine components to be modelled. They cover gas channel/chamber thermodynamics, viscosity and thermal effects, mechanical structure and electromechanical transducers. The proposed tool has been validated on a centimeter scale Free Piston membrane Stirling engine [1]. We propose here new developments taking into account scaling effects to establish models suitable for any microengines. They are based on simplifications derived from the comparison of the hydraulic radius with respect to the viscous and thermal penetration depths respectively).

The coupled bio-chemo-electro-mechanical behavior of glucose exposed arterial elastin

NASA Astrophysics Data System (ADS)

Zhang, Yanhang; Li, Jiangyu; Boutis, Gregory S.

2017-04-01

Elastin, the principle protein component of the elastic fiber, is a critical extracellular matrix (ECM) component of the arterial wall providing structural resilience and biological signaling essential in vascular morphogenesis and maintenance of mechanical homeostasis. Pathogenesis of many cardiovascular diseases have been associated with alterations of elastin. As a long-lived ECM protein that is deposited and organized before adulthood, elastic fibers can suffer from cumulative effects of biochemical exposure encountered during aging and/or disease, which greatly compromise their mechanical function. This review article covers findings from recent studies of the mechanical and structural contribution of elastin to vascular function, and the effects of biochemical degradation. Results from diverse experimental methods including tissue-level mechanical characterization, fiber-level nonlinear optical imaging, piezoelectric force microscopy, and nuclear magnetic resonance are reviewed. The intriguing coupled bio-chemo-electro-mechanical behavior of elastin calls for a multi-scale and multi-physical understanding of ECM mechanics and mechanobiology in vascular remodeling.

Performance Characterization and Optimization of Microgrid-Based Energy Generation and Storage Technologies

DTIC Science & Technology

2012-01-01

A. Rufer, “Multiphysics and energetic modeling of a vanadium redox flow battery ,” in Proc. 2008 IEEE International Conference on Sustainable...p. 81. [11] K.W. Knehr and E.C. Kumbur, "Open circuit voltage of vanadium redox flow batteries : Discrepancy between models and experiments...Blanc and A. Rufer, “Multiphysics and energetic modeling of a vanadium redox flow battery ,” in Proc. 2008 IEEE International Conference on Sustainable

Applications of ANSYS/Multiphysics at NASA/Goddard Space Flight Center

NASA Technical Reports Server (NTRS)

Loughlin, Jim

2007-01-01

This viewgraph presentation reviews some of the uses that the ANSYS/Multiphysics system is used for at the NASA Goddard Space Flight Center. Some of the uses of the ANSYS system is used for is MEMS Structural Analysis of Micro-mirror Array for the James Web Space Telescope (JWST), Micro-shutter Array for JWST, MEMS FP Tunable Filter, AstroE2 Micro-calorimeter. Various views of these projects are shown in this presentation.

A journey from nuclear criticality methods to high energy density radflow experiments

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

Urbatsch, Todd James

Los Alamos National Laboratory is a nuclear weapons laboratory supporting our nation's defense. In support of this mission is a high energy-density physics program in which we design and execute experiments to study radiationhydrodynamics phenomena and improve the predictive capability of our largescale multi-physics software codes on our big-iron computers. The Radflow project’s main experimental effort now is to understand why we haven't been able to predict opacities on Sandia National Laboratory's Z-machine. We are modeling an increasing fraction of the Z-machine's dynamic hohlraum to find multi-physics explanations for the experimental results. Further, we are building an entirely different opacitymore » platform on Lawrence Livermore National Laboratory's National Ignition Facility (NIF), which is set to get results early 2017. Will the results match our predictions, match the Z-machine, or give us something entirely different? The new platform brings new challenges such as designing hohlraums and spectrometers. The speaker will recount his history, starting with one-dimensional Monte Carlo nuclear criticality methods in graduate school, radiative transfer methods research and software development for his first 16 years at LANL, and, now, radflow technology and experiments. Who knew that the real world was more than just radiation transport? Experiments aren't easy and they are as saturated with politics as a presidential election, but they sure are fun.« less

Optical assessment of tissue mechanics: acousto-optical elastography of skin

NASA Astrophysics Data System (ADS)

Kirkpatrick, Sean J.

2003-10-01

A multiphysics approach, combining acoustics, optics, and mechanics can be used to detect regions of skin with distinct mechanical behavior that may indicate a pathology, such as a cancerous skin lesion. Herein, an acousto - optical approach to evaluating the viscoelastic behavior of superficial skin layers will be presented. The method relies upon inducing low frequency guided surface waves in the skin and detecting these waves by monitoring the shift in the backscattered laser speckle pattern created by illuminating a small region of the skin with coherent light. Artificial lesions in the form of chemical cross-linking and chemical softening were induced in superficial porcine skin layers and detected based upon variations in local mechanical behavior. The lesions affect not only the time-of-flight of the guided surface waves, but also change the relative phase of the acoustic waves as determined optically. The method may be applicable in the study and diagnosis of superficial skin lesions.

Structural and mechanical characterization of hybrid metallic-inorganic nanosprings

NASA Astrophysics Data System (ADS)

Habtoun, Sabrina; Houmadi, Said; Reig, Benjamin; Pouget, Emilie; Dedovets, Dmytro; Delville, Marie-Hélène; Oda, Reiko; Cristiano, Fuccio; Bergaud, Christian

2017-10-01

Silica nanosprings (NS) are fabricated by a sol-gel deposition of silica precursors onto a template made of self-assembled organic chiral nanostructures. They are deposited and assembled on microstructured silicon substrates, and then metallized and clamped in a single lithography-free step using a focused ion beam (FIB). The resulting suspended hybrid metallic/inorganic NS are then characterized with high-resolution transmission electron microscopy (HRTEM) and scanning TEM/energy-dispersive X-ray spectroscopy (STEM/EDX), showing the atomic structure of the metallic layer. Three-point bending tests are also carried out using an atomic force microscope (AFM) and supported by finite element method (FEM) simulation with COMSOL Multiphysics allowing the characterization of the mechanical behavior and the estimation of the stiffness of the resulting NS. The information obtained on the structural and mechanical properties of the NS is discussed for future nano-electro-mechanical system (NEMS) applications.

Lattice Boltzmann modeling of transport phenomena in fuel cells and flow batteries

NASA Astrophysics Data System (ADS)

Xu, Ao; Shyy, Wei; Zhao, Tianshou

2017-06-01

Fuel cells and flow batteries are promising technologies to address climate change and air pollution problems. An understanding of the complex multiscale and multiphysics transport phenomena occurring in these electrochemical systems requires powerful numerical tools. Over the past decades, the lattice Boltzmann (LB) method has attracted broad interest in the computational fluid dynamics and the numerical heat transfer communities, primarily due to its kinetic nature making it appropriate for modeling complex multiphase transport phenomena. More importantly, the LB method fits well with parallel computing due to its locality feature, which is required for large-scale engineering applications. In this article, we review the LB method for gas-liquid two-phase flows, coupled fluid flow and mass transport in porous media, and particulate flows. Examples of applications are provided in fuel cells and flow batteries. Further developments of the LB method are also outlined.

Multimodel methods for optimal control of aeroacoustics.

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

Chen, Guoquan; Collis, Samuel Scott

2005-01-01

A new multidomain/multiphysics computational framework for optimal control of aeroacoustic noise has been developed based on a near-field compressible Navier-Stokes solver coupled with a far-field linearized Euler solver both based on a discontinuous Galerkin formulation. In this approach, the coupling of near- and far-field domains is achieved by weakly enforcing continuity of normal fluxes across a coupling surface that encloses all nonlinearities and noise sources. For optimal control, gradient information is obtained by the solution of an appropriate adjoint problem that involves the propagation of adjoint information from the far-field to the near-field. This computational framework has been successfully appliedmore » to study optimal boundary-control of blade-vortex interaction, which is a significant noise source for helicopters on approach to landing. In the model-problem presented here, the noise propagated toward the ground is reduced by 12dB.« less

Verification of low-Mach number combustion codes using the method of manufactured solutions

NASA Astrophysics Data System (ADS)

Shunn, Lee; Ham, Frank; Knupp, Patrick; Moin, Parviz

2007-11-01

Many computational combustion models rely on tabulated constitutive relations to close the system of equations. As these reactive state-equations are typically multi-dimensional and highly non-linear, their implications on the convergence and accuracy of simulation codes are not well understood. In this presentation, the effects of tabulated state-relationships on the computational performance of low-Mach number combustion codes are explored using the method of manufactured solutions (MMS). Several MMS examples are developed and applied, progressing from simple one-dimensional configurations to problems involving higher dimensionality and solution-complexity. The manufactured solutions are implemented in two multi-physics hydrodynamics codes: CDP developed at Stanford University and FUEGO developed at Sandia National Laboratories. In addition to verifying the order-of-accuracy of the codes, the MMS problems help highlight certain robustness issues in existing variable-density flow-solvers. Strategies to overcome these issues are briefly discussed.

Multiphysics superensemble forecast applied to Mediterranean heavy precipitation situations

NASA Astrophysics Data System (ADS)

Vich, M.; Romero, R.

2010-11-01

The high-impact precipitation events that regularly affect the western Mediterranean coastal regions are still difficult to predict with the current prediction systems. Bearing this in mind, this paper focuses on the superensemble technique applied to the precipitation field. Encouraged by the skill shown by a previous multiphysics ensemble prediction system applied to western Mediterranean precipitation events, the superensemble is fed with this ensemble. The training phase of the superensemble contributes to the actual forecast with weights obtained by comparing the past performance of the ensemble members and the corresponding observed states. The non-hydrostatic MM5 mesoscale model is used to run the multiphysics ensemble. Simulations are performed with a 22.5 km resolution domain (Domain 1 in http://mm5forecasts.uib.es) nested in the ECMWF forecast fields. The period between September and December 2001 is used to train the superensemble and a collection of 19~MEDEX cyclones is used to test it. The verification procedure involves testing the superensemble performance and comparing it with that of the poor-man and bias-corrected ensemble mean and the multiphysic EPS control member. The results emphasize the need of a well-behaved training phase to obtain good results with the superensemble technique. A strategy to obtain this improved training phase is already outlined.

RELAP-7 Level 2 Milestone Report: Demonstration of a Steady State Single Phase PWR Simulation with RELAP-7

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

David Andrs; Ray Berry; Derek Gaston

The document contains the simulation results of a steady state model PWR problem with the RELAP-7 code. The RELAP-7 code is the next generation nuclear reactor system safety analysis code being developed at Idaho National Laboratory (INL). The code is based on INL's modern scientific software development framework - MOOSE (Multi-Physics Object-Oriented Simulation Environment). This report summarizes the initial results of simulating a model steady-state single phase PWR problem using the current version of the RELAP-7 code. The major purpose of this demonstration simulation is to show that RELAP-7 code can be rapidly developed to simulate single-phase reactor problems. RELAP-7more » is a new project started on October 1st, 2011. It will become the main reactor systems simulation toolkit for RISMC (Risk Informed Safety Margin Characterization) and the next generation tool in the RELAP reactor safety/systems analysis application series (the replacement for RELAP5). The key to the success of RELAP-7 is the simultaneous advancement of physical models, numerical methods, and software design while maintaining a solid user perspective. Physical models include both PDEs (Partial Differential Equations) and ODEs (Ordinary Differential Equations) and experimental based closure models. RELAP-7 will eventually utilize well posed governing equations for multiphase flow, which can be strictly verified. Closure models used in RELAP5 and newly developed models will be reviewed and selected to reflect the progress made during the past three decades. RELAP-7 uses modern numerical methods, which allow implicit time integration, higher order schemes in both time and space, and strongly coupled multi-physics simulations. RELAP-7 is written with object oriented programming language C++. Its development follows modern software design paradigms. The code is easy to read, develop, maintain, and couple with other codes. Most importantly, the modern software design allows the RELAP-7 code to evolve with time. RELAP-7 is a MOOSE-based application. MOOSE (Multiphysics Object-Oriented Simulation Environment) is a framework for solving computational engineering problems in a well-planned, managed, and coordinated way. By leveraging millions of lines of open source software packages, such as PETSC (a nonlinear solver developed at Argonne National Laboratory) and LibMesh (a Finite Element Analysis package developed at University of Texas), MOOSE significantly reduces the expense and time required to develop new applications. Numerical integration methods and mesh management for parallel computation are provided by MOOSE. Therefore RELAP-7 code developers only need to focus on physics and user experiences. By using the MOOSE development environment, RELAP-7 code is developed by following the same modern software design paradigms used for other MOOSE development efforts. There are currently over 20 different MOOSE based applications ranging from 3-D transient neutron transport, detailed 3-D transient fuel performance analysis, to long-term material aging. Multi-physics and multiple dimensional analyses capabilities can be obtained by coupling RELAP-7 and other MOOSE based applications and by leveraging with capabilities developed by other DOE programs. This allows restricting the focus of RELAP-7 to systems analysis-type simulations and gives priority to retain and significantly extend RELAP5's capabilities.« less

Modelling heat and mass transfer in bread baking with mechanical deformation

NASA Astrophysics Data System (ADS)

Nicolas, V.; Salagnac, P.; Glouannec, P.; Ploteau, J.-P.; Jury, V.; Boillereaux, L.

2012-11-01

In this paper, the thermo-hydric behaviour of bread during baking is studied. A numerical model has been developed with Comsol Multiphysics© software. The model takes into account the heat and mass transfers in the bread and the phenomenon of swelling. This model predicts the evolution of temperature, moisture, gas pressure and deformation in French "baguette" during baking. Local deformation is included in equations using solid phase conservation and, global deformation is calculated using a viscous mechanic model. Boundary conditions are specified with the sole temperature model and vapour pressure estimation of the oven during baking. The model results are compared with experimental data for a classic baking. Then, the model is analysed according to physical properties of bread and solicitations for a better understanding of the interactions between different mechanisms within the porous matrix.

Multiphysics modeling of two-phase film boiling within porous corrosion deposits

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

Jin, Miaomiao, E-mail: mmjin@mit.edu; Short, Michael, E-mail: hereiam@mit.edu

2016-07-01

Porous corrosion deposits on nuclear fuel cladding, known as CRUD, can cause multiple operational problems in light water reactors (LWRs). CRUD can cause accelerated corrosion of the fuel cladding, increase radiation fields and hence greater exposure risk to plant workers once activated, and induce a downward axial power shift causing an imbalance in core power distribution. In order to facilitate a better understanding of CRUD's effects, such as localized high cladding surface temperatures related to accelerated corrosion rates, we describe an improved, fully-coupled, multiphysics model to simulate heat transfer, chemical reactions and transport, and two-phase fluid flow within these deposits.more » Our new model features a reformed assumption of 2D, two-phase film boiling within the CRUD, correcting earlier models' assumptions of single-phase coolant flow with wick boiling under high heat fluxes. This model helps to better explain observed experimental values of the effective CRUD thermal conductivity. Finally, we propose a more complete set of boiling regimes, or a more detailed mechanism, to explain recent CRUD deposition experiments by suggesting the new concept of double dryout specifically in thick porous media with boiling chimneys. - Highlights: • A two-phase model of CRUD's effects on fuel cladding is developed and improved. • This model eliminates the formerly erroneous assumption of wick boiling. • Higher fuel cladding temperatures are predicted when accounting for two-phase flow. • Double-peaks in thermal conductivity vs. heat flux in experiments are explained. • A “double dryout” mechanism in CRUD is proposed based on the model and experiments.« less

PROTEUS-SN User Manual

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

Shemon, Emily R.; Smith, Micheal A.; Lee, Changho

2016-02-16

PROTEUS-SN is a three-dimensional, highly scalable, high-fidelity neutron transport code developed at Argonne National Laboratory. The code is applicable to all spectrum reactor transport calculations, particularly those in which a high degree of fidelity is needed either to represent spatial detail or to resolve solution gradients. PROTEUS-SN solves the second order formulation of the transport equation using the continuous Galerkin finite element method in space, the discrete ordinates approximation in angle, and the multigroup approximation in energy. PROTEUS-SN’s parallel methodology permits the efficient decomposition of the problem by both space and angle, permitting large problems to run efficiently on hundredsmore » of thousands of cores. PROTEUS-SN can also be used in serial or on smaller compute clusters (10’s to 100’s of cores) for smaller homogenized problems, although it is generally more computationally expensive than traditional homogenized methodology codes. PROTEUS-SN has been used to model partially homogenized systems, where regions of interest are represented explicitly and other regions are homogenized to reduce the problem size and required computational resources. PROTEUS-SN solves forward and adjoint eigenvalue problems and permits both neutron upscattering and downscattering. An adiabatic kinetics option has recently been included for performing simple time-dependent calculations in addition to standard steady state calculations. PROTEUS-SN handles void and reflective boundary conditions. Multigroup cross sections can be generated externally using the MC2-3 fast reactor multigroup cross section generation code or internally using the cross section application programming interface (API) which can treat the subgroup or resonance table libraries. PROTEUS-SN is written in Fortran 90 and also includes C preprocessor definitions. The code links against the PETSc, METIS, HDF5, and MPICH libraries. It optionally links against the MOAB library and is a part of the SHARP multi-physics suite for coupled multi-physics analysis of nuclear reactors. This user manual describes how to set up a neutron transport simulation with the PROTEUS-SN code. A companion methodology manual describes the theory and algorithms within PROTEUS-SN.« less

Integration of OpenMC methods into MAMMOTH and Serpent

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

Kerby, Leslie; DeHart, Mark; Tumulak, Aaron

OpenMC, a Monte Carlo particle transport simulation code focused on neutron criticality calculations, contains several methods we wish to emulate in MAMMOTH and Serpent. First, research coupling OpenMC and the Multiphysics Object-Oriented Simulation Environment (MOOSE) has shown promising results. Second, the utilization of Functional Expansion Tallies (FETs) allows for a more efficient passing of multiphysics data between OpenMC and MOOSE. Both of these capabilities have been preliminarily implemented into Serpent. Results are discussed and future work recommended.

ALE3D: An Arbitrary Lagrangian-Eulerian Multi-Physics Code

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

Noble, Charles R.; Anderson, Andrew T.; Barton, Nathan R.

ALE3D is a multi-physics numerical simulation software tool utilizing arbitrary-Lagrangian- Eulerian (ALE) techniques. The code is written to address both two-dimensional (2D plane and axisymmetric) and three-dimensional (3D) physics and engineering problems using a hybrid finite element and finite volume formulation to model fluid and elastic-plastic response of materials on an unstructured grid. As shown in Figure 1, ALE3D is a single code that integrates many physical phenomena.

Multiphysics modeling of the steel continuous casting process

NASA Astrophysics Data System (ADS)

Hibbeler, Lance C.

This work develops a macroscale, multiphysics model of the continuous casting of steel. The complete model accounts for the turbulent flow and nonuniform distribution of superheat in the molten steel, the elastic-viscoplastic thermal shrinkage of the solidifying shell, the heat transfer through the shell-mold interface with variable gap size, and the thermal distortion of the mold. These models are coupled together with carefully constructed boundary conditions with the aid of reduced-order models into a single tool to investigate behavior in the mold region, for practical applications such as predicting ideal tapers for a beam-blank mold. The thermal and mechanical behaviors of the mold are explored as part of the overall modeling effort, for funnel molds and for beam-blank molds. These models include high geometric detail and reveal temperature variations on the mold-shell interface that may be responsible for cracks in the shell. Specifically, the funnel mold has a column of mold bolts in the middle of the inside-curve region of the funnel that disturbs the uniformity of the hot face temperatures, which combined with the bending effect of the mold on the shell, can lead to longitudinal facial cracks. The shoulder region of the beam-blank mold shows a local hot spot that can be reduced with additional cooling in this region. The distorted shape of the funnel mold narrow face is validated with recent inclinometer measurements from an operating caster. The calculated hot face temperatures and distorted shapes of the mold are transferred into the multiphysics model of the solidifying shell. The boundary conditions for the first iteration of the multiphysics model come from reduced-order models of the process; one such model is derived in this work for mold heat transfer. The reduced-order model relies on the physics of the solution to the one-dimensional heat-conduction equation to maintain the relationships between inputs and outputs of the model. The geometric parameters in the model are calibrated such that the reduced-order model temperatures match a small, periodic subdomain of the mold. These parameters are demonstrated to be insensitive to the calibration conditions. The thermal behavior of the detailed, three-dimensional mold models used in this work can be approximated closely with a few arithmetic calculations after calibrating the reduced-order model of mold heat transfer. The example application of the model includes the effects of the molten steel jet on the solidification front and the ferrostatic pressure. The model is demonstrated to match measurements of mold heat removal and the thickness of a breakout shell all the way around the perimeter of the mold, and gives insight to the cause of breakouts in a beam-blank caster. This multiphysics modeling approach redefines the state of the art of process modeling for continuous casting, and can be~used in future work to explore the formation and prevention of defects and other practical issues. This work also explores the eigen-problem for an arbitrary 3x3 matrix. An explicit, algebraic formula for the eigenvectors is presented.

Earth Science Computational Architecture for Multi-disciplinary Investigations

NASA Astrophysics Data System (ADS)

Parker, J. W.; Blom, R.; Gurrola, E.; Katz, D.; Lyzenga, G.; Norton, C.

2005-12-01

Understanding the processes underlying Earth's deformation and mass transport requires a non-traditional, integrated, interdisciplinary, approach dependent on multiple space and ground based data sets, modeling, and computational tools. Currently, details of geophysical data acquisition, analysis, and modeling largely limit research to discipline domain experts. Interdisciplinary research requires a new computational architecture that is optimized to perform complex data processing of multiple solid Earth science data types in a user-friendly environment. A web-based computational framework is being developed and integrated with applications for automatic interferometric radar processing, and models for high-resolution deformation & gravity, forward models of viscoelastic mass loading over short wavelengths & complex time histories, forward-inverse codes for characterizing surface loading-response over time scales of days to tens of thousands of years, and inversion of combined space magnetic & gravity fields to constrain deep crustal and mantle properties. This framework combines an adaptation of the QuakeSim distributed services methodology with the Pyre framework for multiphysics development. The system uses a three-tier architecture, with a middle tier server that manages user projects, available resources, and security. This ensures scalability to very large networks of collaborators. Users log into a web page and have a personal project area, persistently maintained between connections, for each application. Upon selection of an application and host from a list of available entities, inputs may be uploaded or constructed from web forms and available data archives, including gravity, GPS and imaging radar data. The user is notified of job completion and directed to results posted via URLs. Interdisciplinary work is supported through easy availability of all applications via common browsers, application tutorials and reference guides, and worked examples with visual response. At the platform level, multi-physics application development and workflow are available in the enriched environment of the Pyre framework. Advantages for combining separate expert domains include: multiple application components efficiently interact through Python shared libraries, investigators may nimbly swap models and try new parameter values, and a rich array of common tools are inherent in the Pyre system. The first four specific investigations to use this framework are: Gulf Coast subsidence: understanding of partitioning between compaction, subsidence and growth faulting; Gravity & deformation of a layered spherical earth model due to large earthquakes; Rift setting of Lake Vostok, Antarctica; and global ice mass changes.

Multiphysics Computational Analysis of a Solid-Core Nuclear Thermal Engine Thrust Chamber

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Canabal, Francisco; Cheng, Gary; Chen, Yen-Sen

2007-01-01

The objective of this effort is to develop an efficient and accurate computational heat transfer methodology to predict thermal, fluid, and hydrogen environments for a hypothetical solid-core, nuclear thermal engine - the Small Engine. In addition, the effects of power profile and hydrogen conversion on heat transfer efficiency and thrust performance were also investigated. The computational methodology is based on an unstructured-grid, pressure-based, all speeds, chemically reacting, computational fluid dynamics platform, while formulations of conjugate heat transfer were implemented to describe the heat transfer from solid to hydrogen inside the solid-core reactor. The computational domain covers the entire thrust chamber so that the afore-mentioned heat transfer effects impact the thrust performance directly. The result shows that the computed core-exit gas temperature, specific impulse, and core pressure drop agree well with those of design data for the Small Engine. Finite-rate chemistry is very important in predicting the proper energy balance as naturally occurring hydrogen decomposition is endothermic. Locally strong hydrogen conversion associated with centralized power profile gives poor heat transfer efficiency and lower thrust performance. On the other hand, uniform hydrogen conversion associated with a more uniform radial power profile achieves higher heat transfer efficiency, and higher thrust performance.

Fluid-solid coupled simulation of the ignition transient of solid rocket motor

NASA Astrophysics Data System (ADS)

Li, Qiang; Liu, Peijin; He, Guoqiang

2015-05-01

The first period of the solid rocket motor operation is the ignition transient, which involves complex processes and, according to chronological sequence, can be divided into several stages, namely, igniter jet injection, propellant heating and ignition, flame spreading, chamber pressurization and solid propellant deformation. The ignition transient should be comprehensively analyzed because it significantly influences the overall performance of the solid rocket motor. A numerical approach is presented in this paper for simulating the fluid-solid interaction problems in the ignition transient of the solid rocket motor. In the proposed procedure, the time-dependent numerical solutions of the governing equations of internal compressible fluid flow are loosely coupled with those of the geometrical nonlinearity problems to determine the propellant mechanical response and deformation. The well-known Zeldovich-Novozhilov model was employed to model propellant ignition and combustion. The fluid-solid coupling interface data interpolation scheme and coupling instance for different computational agents were also reported. Finally, numerical validation was performed, and the proposed approach was applied to the ignition transient of one laboratory-scale solid rocket motor. For the application, the internal ballistics were obtained from the ground hot firing test, and comparisons were made. Results show that the integrated framework allows us to perform coupled simulations of the propellant ignition, strong unsteady internal fluid flow, and propellant mechanical response in SRMs with satisfactory stability and efficiency and presents a reliable and accurate solution to complex multi-physics problems.

Computational Design for Multifunctional Microstructural Composites

NASA Astrophysics Data System (ADS)

Chen, Yuhang; Zhou, Shiwei; Li, Qing

As an important class of natural and engineered materials, periodic microstructural composites have drawn substantial attention from the material research community for their excellent flexibility in tailoring various desirable physical behaviors. To develop periodic cellular composites for multifunctional applications, this paper presents a unified design framework for combining stiffness and a range of physical properties governed by quasi-harmonic partial differential equations. A multiphase microstructural configuration is sought within a periodic base-cell design domain using topology optimization. To deal with conflicting properties, e.g. conductivity/permeability versus bulk modulus, the optimum is sought in a Pareto sense. Illustrative examples demonstrate the capability of the presented procedure for the design of multiphysical composites and tissue scaffolds.

Final Project Report - Revised Version

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

Prasad, Manika; Carolyn, Koh

An over-arching goal of this research is to calibrate geophysical techniques for hydrate exploration, evaluation, and production monitoring. Extensive field data of hydrate-bearing sediments exist, but quantitative estimates of the amount and distribution of hydrates are difficult to determine. Thus, the primary project objectives were to relate seismic and acoustic velocities and attenuations to hydrate saturation and texture. The project aimed to collect seismic properties along with other measurements (e.g., complex resistivity, micro-focus x-ray computed tomography, etc.). The multiphysics dataset would enable researchers to understand not only the interaction between mineral surfaces and gas hydrates, but also how the hydratemore » formation method affects the hydrate-sediment system in terms of elastic properties.« less

Simulation of wave interactions with MHD

NASA Astrophysics Data System (ADS)

Batchelor, D.; Alba, C.; Bateman, G.; Bernholdt, D.; Berry, L.; Bonoli, P.; Bramley, R.; Breslau, J.; Chance, M.; Chen, J.; Choi, M.; Elwasif, W.; Fu, G.; Harvey, R.; Jaeger, E.; Jardin, S.; Jenkins, T.; Keyes, D.; Klasky, S.; Kruger, S.; Ku, L.; Lynch, V.; McCune, D.; Ramos, J.; Schissel, D.; Schnack, D.; Wright, J.

2008-07-01

The broad scientific objectives of the SWIM (Simulation 01 Wave Interaction with MHD) project are twofold: (1) improve our understanding of interactions that both radio frequency (RF) wave and particle sources have on extended-MHD phenomena, and to substantially improve our capability for predicting and optimizing the performance of burning plasmas in devices such as ITER: and (2) develop an integrated computational system for treating multiphysics phenomena with the required flexibility and extensibility to serve as a prototype for the Fusion Simulation Project. The Integrated Plasma Simulator (IPS) has been implemented. Presented here are initial physics results on RP effects on MHD instabilities in tokamaks as well as simulation results for tokamak discharge evolution using the IPS.

A capacitive CMOS-MEMS sensor designed by multi-physics simulation for integrated CMOS-MEMS technology

NASA Astrophysics Data System (ADS)

Konishi, Toshifumi; Yamane, Daisuke; Matsushima, Takaaki; Masu, Kazuya; Machida, Katsuyuki; Toshiyoshi, Hiroshi

2014-01-01

This paper reports the design and evaluation results of a capacitive CMOS-MEMS sensor that consists of the proposed sensor circuit and a capacitive MEMS device implemented on the circuit. To design a capacitive CMOS-MEMS sensor, a multi-physics simulation of the electromechanical behavior of both the MEMS structure and the sensing LSI was carried out simultaneously. In order to verify the validity of the design, we applied the capacitive CMOS-MEMS sensor to a MEMS accelerometer implemented by the post-CMOS process onto a 0.35-µm CMOS circuit. The experimental results of the CMOS-MEMS accelerometer exhibited good agreement with the simulation results within the input acceleration range between 0.5 and 6 G (1 G = 9.8 m/s2), corresponding to the output voltages between 908.6 and 915.4 mV, respectively. Therefore, we have confirmed that our capacitive CMOS-MEMS sensor and the multi-physics simulation will be beneficial method to realize integrated CMOS-MEMS technology.

Multiphysics elastodynamic finite element analysis of space debris deorbit stability and efficiency by electrodynamic tethers

NASA Astrophysics Data System (ADS)

Li, Gangqiang; Zhu, Zheng H.; Ruel, Stephane; Meguid, S. A.

2017-08-01

This paper developed a new multiphysics finite element method for the elastodynamic analysis of space debris deorbit by a bare flexible electrodynamic tether. Orbital motion limited theory and dynamics of flexible electrodynamic tethers are discretized by the finite element method, where the motional electric field is variant along the tether and coupled with tether deflection and motion. Accordingly, the electrical current and potential bias profiles of tether are solved together with the tether dynamics by the nodal position finite element method. The newly proposed multiphysics finite element method is applied to analyze the deorbit dynamics of space debris by electrodynamic tethers with a two-stage energy control strategy to ensure an efficient and stable deorbit process. Numerical simulations are conducted to study the coupled effect between the motional electric field and the tether dynamics. The results reveal that the coupling effect has a significant influence on the tether stability and the deorbit performance. It cannot be ignored when the libration and deflection of the tether are significant.

Improved Gas Metal Arc Welding Multi-Physics Process Model and Its Application to MIL A46100 Armor-Grade Steel Butt-welds

DTIC Science & Technology

2014-01-01

expansion a 1/K 11e–6-12e–6 Specific heat C p J/kg K 440-520 Thermal conductivity k W/m K 35-50 Heat transfer coefficient h W/m2 K 45 Sink temperature...filler-metal consumable electrode to the weld; third, prediction of the temporal evolution and the spatial distribution of thermal and mechanical...the thermal The current issue and full text archive of this journal is available at www.emeraldinsight.com/1573-6105.htm Received 20 May 2013 Revised 13

Numerical Modeling of Electrode Degradation During Resistance Spot Welding Using CuCrZr Electrodes

NASA Astrophysics Data System (ADS)

Gauthier, Elise; Carron, Denis; Rogeon, Philippe; Pilvin, Philippe; Pouvreau, Cédric; Lety, Thomas; Primaux, François

2014-05-01

Resistance spot welding is a technique widely used by the automotive industry to assemble thin steel sheets. The cyclic thermo-mechanical loading associated with the accumulation of weld spots progressively deteriorates the electrodes. This study addresses the development of a comprehensive multi-physical model that describes the sequential deterioration. Welding tests achieved on uncoated and Zn-coated steel sheets are analyzed. Finite element analysis is performed using an electrical-thermal-metallurgical model. A numerical experimental design is carried out to highlight the main process parameters and boundary conditions which affect electrode degradation.

Computational Infrastructure for Geodynamics (CIG)

NASA Astrophysics Data System (ADS)

Gurnis, M.; Kellogg, L. H.; Bloxham, J.; Hager, B. H.; Spiegelman, M.; Willett, S.; Wysession, M. E.; Aivazis, M.

2004-12-01

Solid earth geophysicists have a long tradition of writing scientific software to address a wide range of problems. In particular, computer simulations came into wide use in geophysics during the decade after the plate tectonic revolution. Solution schemes and numerical algorithms that developed in other areas of science, most notably engineering, fluid mechanics, and physics, were adapted with considerable success to geophysics. This software has largely been the product of individual efforts and although this approach has proven successful, its strength for solving problems of interest is now starting to show its limitations as we try to share codes and algorithms or when we want to recombine codes in novel ways to produce new science. With funding from the NSF, the US community has embarked on a Computational Infrastructure for Geodynamics (CIG) that will develop, support, and disseminate community-accessible software for the greater geodynamics community from model developers to end-users. The software is being developed for problems involving mantle and core dynamics, crustal and earthquake dynamics, magma migration, seismology, and other related topics. With a high level of community participation, CIG is leveraging state-of-the-art scientific computing into a suite of open-source tools and codes. The infrastructure that we are now starting to develop will consist of: (a) a coordinated effort to develop reusable, well-documented and open-source geodynamics software; (b) the basic building blocks - an infrastructure layer - of software by which state-of-the-art modeling codes can be quickly assembled; (c) extension of existing software frameworks to interlink multiple codes and data through a superstructure layer; (d) strategic partnerships with the larger world of computational science and geoinformatics; and (e) specialized training and workshops for both the geodynamics and broader Earth science communities. The CIG initiative has already started to leverage and develop long-term strategic partnerships with open source development efforts within the larger thrusts of scientific computing and geoinformatics. These strategic partnerships are essential as the frontier has moved into multi-scale and multi-physics problems in which many investigators now want to use simulation software for data interpretation, data assimilation, and hypothesis testing.

Performance of hybrid programming models for multiscale cardiac simulations: preparing for petascale computation.

PubMed

Pope, Bernard J; Fitch, Blake G; Pitman, Michael C; Rice, John J; Reumann, Matthias

2011-10-01

Future multiscale and multiphysics models that support research into human disease, translational medical science, and treatment can utilize the power of high-performance computing (HPC) systems. We anticipate that computationally efficient multiscale models will require the use of sophisticated hybrid programming models, mixing distributed message-passing processes [e.g., the message-passing interface (MPI)] with multithreading (e.g., OpenMP, Pthreads). The objective of this study is to compare the performance of such hybrid programming models when applied to the simulation of a realistic physiological multiscale model of the heart. Our results show that the hybrid models perform favorably when compared to an implementation using only the MPI and, furthermore, that OpenMP in combination with the MPI provides a satisfactory compromise between performance and code complexity. Having the ability to use threads within MPI processes enables the sophisticated use of all processor cores for both computation and communication phases. Considering that HPC systems in 2012 will have two orders of magnitude more cores than what was used in this study, we believe that faster than real-time multiscale cardiac simulations can be achieved on these systems.

Making it Easy to Construct Accurate Hydrological Models that Exploit High Performance Computers (Invited)

NASA Astrophysics Data System (ADS)

Kees, C. E.; Farthing, M. W.; Terrel, A.; Certik, O.; Seljebotn, D.

2013-12-01

This presentation will focus on two barriers to progress in the hydrological modeling community, and research and development conducted to lessen or eliminate them. The first is a barrier to sharing hydrological models among specialized scientists that is caused by intertwining the implementation of numerical methods with the implementation of abstract numerical modeling information. In the Proteus toolkit for computational methods and simulation, we have decoupled these two important parts of computational model through separate "physics" and "numerics" interfaces. More recently we have begun developing the Strong Form Language for easy and direct representation of the mathematical model formulation in a domain specific language embedded in Python. The second major barrier is sharing ANY scientific software tools that have complex library or module dependencies, as most parallel, multi-physics hydrological models must have. In this setting, users and developer are dependent on an entire distribution, possibly depending on multiple compilers and special instructions depending on the environment of the target machine. To solve these problem we have developed, hashdist, a stateless package management tool and a resulting portable, open source scientific software distribution.

Multiphysics modeling of non-linear laser-matter interactions for optically active semiconductors

NASA Astrophysics Data System (ADS)

Kraczek, Brent; Kanp, Jaroslaw

Development of photonic devices for sensors and communications devices has been significantly enhanced by computational modeling. We present a new computational method for modelling laser propagation in optically-active semiconductors within the paraxial wave approximation (PWA). Light propagation is modeled using the Streamline-upwind/Petrov-Galerkin finite element method (FEM). Material response enters through the non-linear polarization, which serves as the right-hand side of the FEM calculation. Maxwell's equations for classical light propagation within the PWA can be written solely in terms of the electric field, producing a wave equation that is a form of the advection-diffusion-reaction equations (ADREs). This allows adaptation of the computational machinery developed for solving ADREs in fluid dynamics to light-propagation modeling. The non-linear polarization is incorporated using a flexible framework to enable the use of multiple methods for carrier-carrier interactions (e.g. relaxation-time-based or Monte Carlo) to enter through the non-linear polarization, as appropriate to the material type. We demonstrate using a simple carrier-carrier model approximating the response of GaN. Supported by ARL Materials Enterprise.

AEROELASTIC SIMULATION TOOL FOR INFLATABLE BALLUTE AEROCAPTURE

NASA Technical Reports Server (NTRS)

Liever, P. A.; Sheta, E. F.; Habchi, S. D.

2006-01-01

A multidisciplinary analysis tool is under development for predicting the impact of aeroelastic effects on the functionality of inflatable ballute aeroassist vehicles in both the continuum and rarefied flow regimes. High-fidelity modules for continuum and rarefied aerodynamics, structural dynamics, heat transfer, and computational grid deformation are coupled in an integrated multi-physics, multi-disciplinary computing environment. This flexible and extensible approach allows the integration of state-of-the-art, stand-alone NASA and industry leading continuum and rarefied flow solvers and structural analysis codes into a computing environment in which the modules can run concurrently with synchronized data transfer. Coupled fluid-structure continuum flow demonstrations were conducted on a clamped ballute configuration. The feasibility of implementing a DSMC flow solver in the simulation framework was demonstrated, and loosely coupled rarefied flow aeroelastic demonstrations were performed. A NASA and industry technology survey identified CFD, DSMC and structural analysis codes capable of modeling non-linear shape and material response of thin-film inflated aeroshells. The simulation technology will find direct and immediate applications with NASA and industry in ongoing aerocapture technology development programs.

Commnity Petascale Project for Accelerator Science And Simulation: Advancing Computational Science for Future Accelerators And Accelerator Technologies

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

Spentzouris, Panagiotis; /Fermilab; Cary, John

The design and performance optimization of particle accelerators are essential for the success of the DOE scientific program in the next decade. Particle accelerators are very complex systems whose accurate description involves a large number of degrees of freedom and requires the inclusion of many physics processes. Building on the success of the SciDAC-1 Accelerator Science and Technology project, the SciDAC-2 Community Petascale Project for Accelerator Science and Simulation (ComPASS) is developing a comprehensive set of interoperable components for beam dynamics, electromagnetics, electron cooling, and laser/plasma acceleration modelling. ComPASS is providing accelerator scientists the tools required to enable the necessarymore » accelerator simulation paradigm shift from high-fidelity single physics process modeling (covered under SciDAC1) to high-fidelity multiphysics modeling. Our computational frameworks have been used to model the behavior of a large number of accelerators and accelerator R&D experiments, assisting both their design and performance optimization. As parallel computational applications, the ComPASS codes have been shown to make effective use of thousands of processors.« less

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

NASA Astrophysics Data System (ADS)

Shadid, J. N.; Smith, T. M.; Cyr, E. C.; Wildey, T. M.; Pawlowski, R. P.

2016-09-01

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts to apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier-Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

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

Shadid, J.N., E-mail: jnshadi@sandia.gov; Department of Mathematics and Statistics, University of New Mexico; Smith, T.M.

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts tomore » apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

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

Shadid, J. N.; Smith, T. M.; Cyr, E. C.

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. The understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In our study we report on initial efforts to apply integrated adjoint-basedmore » computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. We present the initial results that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

DOE PAGES

Shadid, J. N.; Smith, T. M.; Cyr, E. C.; ...

2016-05-20

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. The understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In our study we report on initial efforts to apply integrated adjoint-basedmore » computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. We present the initial results that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Acousto-optical assessment of skin viscoelasticity

NASA Astrophysics Data System (ADS)

Kirkpatrick, Sean J.; Duncan, Donald D.

2003-07-01

A multiphysics approach, combining acoustics, optics, and mechanics can be used to detect regions of skin with distinct mechanical behavior that may indicate a pathology, such as a cancerous skin lesion. Herein, an acousto-optical approach to evaluating the viscoelastic behavior of superficial skin layers will be presented. The method relies upon inducing low frequency guided surface waves in the skin and detecting these waves by monitoring the shift in the backscattered laser speckle pattern created by illuminating a small region of the skin with coherent light. Artificial lesions in the form of chemical cross-linking and chemical softening were induced in superficial porcine skin layers and detected based upon variations in local mechanical behavior. The lesions affect not only the time-of-flight of the guided surface waves, but also change the relative phase of the acoustic waves as determined optically. The method may be applicable in the study and diagnosis of superficial skin lesions.

Simulation of the main physical processes in remote laser penetration with large laser spot size

DOE PAGES

Khairallah, S. A.; Anderson, A.; Rubenchik, A. M.; ...

2015-04-10

A 3D model is developed to simulate remote laser penetration of a 1mm Aluminum metal sheet with large laser spot size (~3x3cm²), using the ALE3D multi-physics code. The model deals with the laser-induced melting of the plate and the mechanical interaction between the solid and the melted part through plate elastic-plastic response. The effect of plate oscillations and other forces on plate rupture, the droplet formation mechanism and the influence of gravity and high laser power in further breaking the single melt droplet into many more fragments are analyzed. In the limit of low laser power, the numerical results matchmore » the available experiments. The numerical approach couples mechanical and thermal diffusion to hydrodynamics melt flow and accounts for temperature dependent material properties, surface tension, gravity and vapor recoil pressure.« less

Chaste: A test-driven approach to software development for biological modelling

NASA Astrophysics Data System (ADS)

Pitt-Francis, Joe; Pathmanathan, Pras; Bernabeu, Miguel O.; Bordas, Rafel; Cooper, Jonathan; Fletcher, Alexander G.; Mirams, Gary R.; Murray, Philip; Osborne, James M.; Walter, Alex; Chapman, S. Jon; Garny, Alan; van Leeuwen, Ingeborg M. M.; Maini, Philip K.; Rodríguez, Blanca; Waters, Sarah L.; Whiteley, Jonathan P.; Byrne, Helen M.; Gavaghan, David J.

2009-12-01

Chaste ('Cancer, heart and soft-tissue environment') is a software library and a set of test suites for computational simulations in the domain of biology. Current functionality has arisen from modelling in the fields of cancer, cardiac physiology and soft-tissue mechanics. It is released under the LGPL 2.1 licence. Chaste has been developed using agile programming methods. The project began in 2005 when it was reasoned that the modelling of a variety of physiological phenomena required both a generic mathematical modelling framework, and a generic computational/simulation framework. The Chaste project evolved from the Integrative Biology (IB) e-Science Project, an inter-institutional project aimed at developing a suitable IT infrastructure to support physiome-level computational modelling, with a primary focus on cardiac and cancer modelling. Program summaryProgram title: Chaste Catalogue identifier: AEFD_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFD_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: LGPL 2.1 No. of lines in distributed program, including test data, etc.: 5 407 321 No. of bytes in distributed program, including test data, etc.: 42 004 554 Distribution format: tar.gz Programming language: C++ Operating system: Unix Has the code been vectorised or parallelized?: Yes. Parallelized using MPI. RAM:<90 Megabytes for two of the scenarios described in Section 6 of the manuscript (Monodomain re-entry on a slab or Cylindrical crypt simulation). Up to 16 Gigabytes (distributed across processors) for full resolution bidomain cardiac simulation. Classification: 3. External routines: Boost, CodeSynthesis XSD, CxxTest, HDF5, METIS, MPI, PETSc, Triangle, Xerces Nature of problem: Chaste may be used for solving coupled ODE and PDE systems arising from modelling biological systems. Use of Chaste in two application areas are described in this paper: cardiac electrophysiology and intestinal crypt dynamics. Solution method: Coupled multi-physics with PDE, ODE and discrete mechanics simulation. Running time: The largest cardiac simulation described in the manuscript takes about 6 hours to run on a single 3 GHz core. See results section (Section 6) of the manuscript for discussion on parallel scaling.

Advances in Geologic Disposal System Modeling and Application to Crystalline Rock

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

Mariner, Paul E.; Stein, Emily R.; Frederick, Jennifer M.

The Used Fuel Disposition Campaign (UFDC) of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Fuel Cycle Technology (OFCT) is conducting research and development (R&D) on geologic disposal of used nuclear fuel (UNF) and high-level nuclear waste (HLW). Two of the high priorities for UFDC disposal R&D are design concept development and disposal system modeling (DOE 2011). These priorities are directly addressed in the UFDC Generic Disposal Systems Analysis (GDSA) work package, which is charged with developing a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic mediamore » (e.g., salt, granite, clay, and deep borehole disposal). This report describes specific GDSA activities in fiscal year 2016 (FY 2016) toward the development of the enhanced disposal system modeling and analysis capability for geologic disposal of nuclear waste. The GDSA framework employs the PFLOTRAN thermal-hydrologic-chemical multi-physics code and the Dakota uncertainty sampling and propagation code. Each code is designed for massively-parallel processing in a high-performance computing (HPC) environment. Multi-physics representations in PFLOTRAN are used to simulate various coupled processes including heat flow, fluid flow, waste dissolution, radionuclide release, radionuclide decay and ingrowth, precipitation and dissolution of secondary phases, and radionuclide transport through engineered barriers and natural geologic barriers to the biosphere. Dakota is used to generate sets of representative realizations and to analyze parameter sensitivity.« less

A tightly-coupled domain-decomposition approach for highly nonlinear stochastic multiphysics systems

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

Taverniers, Søren; Tartakovsky, Daniel M., E-mail: dmt@ucsd.edu

2017-02-01

Multiphysics simulations often involve nonlinear components that are driven by internally generated or externally imposed random fluctuations. When used with a domain-decomposition (DD) algorithm, such components have to be coupled in a way that both accurately propagates the noise between the subdomains and lends itself to a stable and cost-effective temporal integration. We develop a conservative DD approach in which tight coupling is obtained by using a Jacobian-free Newton–Krylov (JfNK) method with a generalized minimum residual iterative linear solver. This strategy is tested on a coupled nonlinear diffusion system forced by a truncated Gaussian noise at the boundary. Enforcement ofmore » path-wise continuity of the state variable and its flux, as opposed to continuity in the mean, at interfaces between subdomains enables the DD algorithm to correctly propagate boundary fluctuations throughout the computational domain. Reliance on a single Newton iteration (explicit coupling), rather than on the fully converged JfNK (implicit) coupling, may increase the solution error by an order of magnitude. Increase in communication frequency between the DD components reduces the explicit coupling's error, but makes it less efficient than the implicit coupling at comparable error levels for all noise strengths considered. Finally, the DD algorithm with the implicit JfNK coupling resolves temporally-correlated fluctuations of the boundary noise when the correlation time of the latter exceeds some multiple of an appropriately defined characteristic diffusion time.« less

Pika: A snow science simulation tool built using the open-source framework MOOSE

NASA Astrophysics Data System (ADS)

Slaughter, A.; Johnson, M.

2017-12-01

The Department of Energy (DOE) is currently investing millions of dollars annually into various modeling and simulation tools for all aspects of nuclear energy. An important part of this effort includes developing applications based on the open-source Multiphysics Object Oriented Simulation Environment (MOOSE; mooseframework.org) from Idaho National Laboratory (INL).Thanks to the efforts of the DOE and outside collaborators, MOOSE currently contains a large set of physics modules, including phase-field, level set, heat conduction, tensor mechanics, Navier-Stokes, fracture and crack propagation (via the extended finite-element method), flow in porous media, and others. The heat conduction, tensor mechanics, and phase-field modules, in particular, are well-suited for snow science problems. Pika--an open-source MOOSE-based application--is capable of simulating both 3D, coupled nonlinear continuum heat transfer and large-deformation mechanics applications (such as settlement) and phase-field based micro-structure applications. Additionally, these types of problems may be coupled tightly in a single solve or across length and time scales using a loosely coupled Picard iteration approach. In addition to the wide range of physics capabilities, MOOSE-based applications also inherit an extensible testing framework, graphical user interface, and documentation system; tools that allow MOOSE and other applications to adhere to nuclear software quality standards. The snow science community can learn from the nuclear industry and harness the existing effort to build simulation tools that are open, modular, and share a common framework. In particular, MOOSE-based multiphysics solvers are inherently parallel, dimension agnostic, adaptive in time and space, fully coupled, and capable of interacting with other applications. The snow science community should build on existing tools to enable collaboration between researchers and practitioners throughout the world, and advance the state-of-the-art in line with other scientific research efforts.

Computational modeling of magnetic nanoparticle targeting to stent surface under high gradient field

PubMed Central

Wang, Shunqiang; Zhou, Yihua; Tan, Jifu; Xu, Jiang; Yang, Jie; Liu, Yaling

2014-01-01

A multi-physics model was developed to study the delivery of magnetic nanoparticles (MNPs) to the stent-implanted region under an external magnetic field. The model is firstly validated by experimental work in literature. Then, effects of external magnetic field strength, magnetic particle size, and flow velocity on MNPs’ targeting and binding have been analyzed through a parametric study. Two new dimensionless numbers were introduced to characterize relative effects of Brownian motion (BM), magnetic force induced particle motion, and convective blood flow on MNPs motion. It was found that larger magnetic field strength, bigger MNP size, and slower flow velocity increase the capture efficiency of MNPs. The distribution of captured MNPs on the vessel along axial and azimuthal directions was also discussed. Results showed that the MNPs density decreased exponentially along axial direction after one-dose injection while it was uniform along azimuthal direction in the whole stented region (averaged over all sections). For the beginning section of the stented region, the density ratio distribution of captured MNPs along azimuthal direction is center-symmetrical, corresponding to the center-symmetrical distribution of magnetic force in that section. Two different generation mechanisms are revealed to form four main attraction regions. These results could serve as guidelines to design a better magnetic drug delivery system. PMID:24653546

Implementationof a modular software system for multiphysical processes in porous media

NASA Astrophysics Data System (ADS)

Naumov, Dmitri; Watanabe, Norihiro; Bilke, Lars; Fischer, Thomas; Lehmann, Christoph; Rink, Karsten; Walther, Marc; Wang, Wenqing; Kolditz, Olaf

2016-04-01

Subsurface georeservoirs are a candidate technology for large scale energy storage required as part of the transition to renewable energy sources. The increased use of the subsurface results in competing interests and possible impacts on protected entities. To optimize and plan the use of the subsurface in large scale scenario analyses,powerful numerical frameworks are required that aid process understanding and can capture the coupled thermal (T), hydraulic (H), mechanical (M), and chemical (C) processes with high computational efficiency. Due to having a multitude of different couplings between basic T, H, M, or C processes and the necessity to implement new numerical schemes the development focus has moved to software's modularity. The decreased coupling between the components results in two major advantages: easier addition of specialized processes and improvement of the code's testability and therefore its quality. The idea of modularization is implemented on several levels, in addition to library based separation of the previous code version, by using generalized algorithms available in the Standard Template Library and the Boost library, relying on efficient implementations of liner algebra solvers, using concepts when designing new types, and localization of frequently accessed data structures. This procedure shows certain benefits for a flexible high-performance framework applied to the analysis of multipurpose georeservoirs.

Computational modeling of blast wave interaction with a human body and assessment of traumatic brain injury

NASA Astrophysics Data System (ADS)

Tan, X. G.; Przekwas, A. J.; Gupta, R. K.

2017-11-01

The modeling of human body biomechanics resulting from blast exposure poses great challenges because of the complex geometry and the substantial material heterogeneity. We developed a detailed human body finite element model representing both the geometry and the materials realistically. The model includes the detailed head (face, skull, brain and spinal cord), the neck, the skeleton, air cavities (lungs) and the tissues. Hence, it can be used to properly model the stress wave propagation in the human body subjected to blast loading. The blast loading on the human was generated from a simulated C4 explosion. We used the highly scalable solvers in the multi-physics code CoBi for both the blast simulation and the human body biomechanics. The meshes generated for these simulations are of good quality so that relatively large time-step sizes can be used without resorting to artificial time scaling treatments. The coupled gas dynamics and biomechanics solutions were validated against the shock tube test data. The human body models were used to conduct parametric simulations to find the biomechanical response and the brain injury mechanism due to blasts impacting the human body. Under the same blast loading condition, we showed the importance of inclusion of the whole body.

FY17Q4 Ristra project: Release Version 1.0 of a production toolkit

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

Hungerford, Aimee L.; Daniel, David John

2017-09-21

The Next Generation Code project will release Version 1.0 of a production toolkit for multi-physics application development on advanced architectures. Features of this toolkit will include remap and link utilities, control and state manager, setup, visualization and I/O, as well as support for a variety of mesh and particle data representations. Numerical physics packages that operate atop this foundational toolkit will be employed in a multi-physics demonstration problem and released to the community along with results from the demonstration.

A high performance data parallel tensor contraction framework: Application to coupled electro-mechanics

NASA Astrophysics Data System (ADS)

Poya, Roman; Gil, Antonio J.; Ortigosa, Rogelio

2017-07-01

The paper presents aspects of implementation of a new high performance tensor contraction framework for the numerical analysis of coupled and multi-physics problems on streaming architectures. In addition to explicit SIMD instructions and smart expression templates, the framework introduces domain specific constructs for the tensor cross product and its associated algebra recently rediscovered by Bonet et al. (2015, 2016) in the context of solid mechanics. The two key ingredients of the presented expression template engine are as follows. First, the capability to mathematically transform complex chains of operations to simpler equivalent expressions, while potentially avoiding routes with higher levels of computational complexity and, second, to perform a compile time depth-first or breadth-first search to find the optimal contraction indices of a large tensor network in order to minimise the number of floating point operations. For optimisations of tensor contraction such as loop transformation, loop fusion and data locality optimisations, the framework relies heavily on compile time technologies rather than source-to-source translation or JIT techniques. Every aspect of the framework is examined through relevant performance benchmarks, including the impact of data parallelism on the performance of isomorphic and nonisomorphic tensor products, the FLOP and memory I/O optimality in the evaluation of tensor networks, the compilation cost and memory footprint of the framework and the performance of tensor cross product kernels. The framework is then applied to finite element analysis of coupled electro-mechanical problems to assess the speed-ups achieved in kernel-based numerical integration of complex electroelastic energy functionals. In this context, domain-aware expression templates combined with SIMD instructions are shown to provide a significant speed-up over the classical low-level style programming techniques.

Optimization of Gas Metal Arc Welding (GMAW) Process for Maximum Ballistic Limit in MIL A46100 Steel Welded All-Metal Armor

NASA Astrophysics Data System (ADS)

Grujicic, M.; Ramaswami, S.; Snipes, J. S.; Yavari, R.; Yen, C.-F.; Cheeseman, B. A.

2015-01-01

Our recently developed multi-physics computational model for the conventional gas metal arc welding (GMAW) joining process has been upgraded with respect to its predictive capabilities regarding the process optimization for the attainment of maximum ballistic limit within the weld. The original model consists of six modules, each dedicated to handling a specific aspect of the GMAW process, i.e., (a) electro-dynamics of the welding gun; (b) radiation-/convection-controlled heat transfer from the electric arc to the workpiece and mass transfer from the filler metal consumable electrode to the weld; (c) prediction of the temporal evolution and the spatial distribution of thermal and mechanical fields within the weld region during the GMAW joining process; (d) the resulting temporal evolution and spatial distribution of the material microstructure throughout the weld region; (e) spatial distribution of the as-welded material mechanical properties; and (f) spatial distribution of the material ballistic limit. In the present work, the model is upgraded through the introduction of the seventh module in recognition of the fact that identification of the optimum GMAW process parameters relative to the attainment of the maximum ballistic limit within the weld region entails the use of advanced optimization and statistical sensitivity analysis methods and tools. The upgraded GMAW process model is next applied to the case of butt welding of MIL A46100 (a prototypical high-hardness armor-grade martensitic steel) workpieces using filler metal electrodes made of the same material. The predictions of the upgraded GMAW process model pertaining to the spatial distribution of the material microstructure and ballistic limit-controlling mechanical properties within the MIL A46100 butt weld are found to be consistent with general expectations and prior observations.

Multi-Dimensional Simulation of LWR Fuel Behavior in the BISON Fuel Performance Code

NASA Astrophysics Data System (ADS)

Williamson, R. L.; Capps, N. A.; Liu, W.; Rashid, Y. R.; Wirth, B. D.

2016-11-01

Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. To simulate this behavior requires a wide variety of material models that are often complex and nonlinear. The recently developed BISON code represents a powerful fuel performance simulation tool based on its material and physical behavior capabilities, finite-element versatility of spatial representation, and use of parallel computing. The code can operate in full three dimensional (3D) mode, as well as in reduced two dimensional (2D) modes, e.g., axisymmetric radial-axial ( R- Z) or plane radial-circumferential ( R- θ), to suit the application and to allow treatment of global and local effects. A BISON case study was used to illustrate analysis of Pellet Clad Mechanical Interaction failures from manufacturing defects using combined 2D and 3D analyses. The analysis involved commercial fuel rods and demonstrated successful computation of metrics of interest to fuel failures, including cladding peak hoop stress and strain energy density. In comparison with a failure threshold derived from power ramp tests, results corroborate industry analyses of the root cause of the pellet-clad interaction failures and illustrate the importance of modeling 3D local effects around fuel pellet defects, which can produce complex effects including cold spots in the cladding, stress concentrations, and hot spots in the fuel that can lead to enhanced cladding degradation such as hydriding, oxidation, CRUD formation, and stress corrosion cracking.

Finite element computation of multi-physical micropolar transport phenomena from an inclined moving plate in porous media

NASA Astrophysics Data System (ADS)

Shamshuddin, MD.; Anwar Bég, O.; Sunder Ram, M.; Kadir, A.

2018-02-01

Non-Newtonian flows arise in numerous industrial transport processes including materials fabrication systems. Micropolar theory offers an excellent mechanism for exploring the fluid dynamics of new non-Newtonian materials which possess internal microstructure. Magnetic fields may also be used for controlling electrically-conducting polymeric flows. To explore numerical simulation of transport in rheological materials processing, in the current paper, a finite element computational solution is presented for magnetohydrodynamic, incompressible, dissipative, radiative and chemically-reacting micropolar fluid flow, heat and mass transfer adjacent to an inclined porous plate embedded in a saturated homogenous porous medium. Heat generation/absorption effects are included. Rosseland's diffusion approximation is used to describe the radiative heat flux in the energy equation. A Darcy model is employed to simulate drag effects in the porous medium. The governing transport equations are rendered into non-dimensional form under the assumption of low Reynolds number and also low magnetic Reynolds number. Using a Galerkin formulation with a weighted residual scheme, finite element solutions are presented to the boundary value problem. The influence of plate inclination, Eringen coupling number, radiation-conduction number, heat absorption/generation parameter, chemical reaction parameter, plate moving velocity parameter, magnetic parameter, thermal Grashof number, species (solutal) Grashof number, permeability parameter, Eckert number on linear velocity, micro-rotation, temperature and concentration profiles. Furthermore, the influence of selected thermo-physical parameters on friction factor, surface heat transfer and mass transfer rate is also tabulated. The finite element solutions are verified with solutions from several limiting cases in the literature. Interesting features in the flow are identified and interpreted.

Multi-Dimensional Simulation of LWR Fuel Behavior in the BISON Fuel Performance Code

DOE PAGES

Williamson, R. L.; Capps, N. A.; Liu, W.; ...

2016-09-27

Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. To simulate this behavior requires a wide variety of material models that are often complex and nonlinear. The recently developed BISON code represents a powerful fuel performance simulation tool based on its material and physical behavior capabilities, finite-element versatility of spatial representation, and use of parallel computing. The code can operate in full three dimensional (3D) mode, as well as in reduced two dimensional (2D) modes, e.g., axisymmetric radial-axial (R-Z) ormore » plane radial-circumferential (R-θ), to suit the application and to allow treatment of global and local effects. A BISON case study was used in this paper to illustrate analysis of Pellet Clad Mechanical Interaction failures from manufacturing defects using combined 2D and 3D analyses. The analysis involved commercial fuel rods and demonstrated successful computation of metrics of interest to fuel failures, including cladding peak hoop stress and strain energy density. Finally, in comparison with a failure threshold derived from power ramp tests, results corroborate industry analyses of the root cause of the pellet-clad interaction failures and illustrate the importance of modeling 3D local effects around fuel pellet defects, which can produce complex effects including cold spots in the cladding, stress concentrations, and hot spots in the fuel that can lead to enhanced cladding degradation such as hydriding, oxidation, CRUD formation, and stress corrosion cracking.« less

Corrosion mechanisms for metal alloy waste forms: experiment and theory Level 4 Milestone M4FT-14LA0804024 Fuel Cycle Research & Development

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

Liu, Xiang-Yang; Taylor, Christopher D.; Kim, Eunja

2014-07-31

This document meets Level 4 Milestone: Corrosion mechanisms for metal alloy waste forms - experiment and theory. A multiphysics model is introduces that will provide the framework for the quantitative prediction of corrosion rates of metallic waste forms incorporating the fission product Tc. The model requires a knowledge of the properties of not only the metallic waste form, but also the passive oxide films that will be generated on the waste form, and the chemistry of the metal/oxide and oxide/environment interfaces. in collaboration with experimental work, the focus of this work is on obtaining these properties from fundamental atomistic models.more » herein we describe the overall multiphysics model, which is based on MacDonald's point-defect model for passivity. We then present the results of detailed electronic-structure calculations for the determination of the compatibility and properties of Tc when incorporated into intermetallic oxide phases. This work is relevant to the formation of multi-component oxides on metal surfaces that will incorporate Tc, and provide a kinetic barrier to corrosion (i.e. the release of Tc to the environment). Atomistic models that build upon the electronic structure calculations are then described using the modified embedded atom method to simulate metallic dissolution, and Buckingham potentials to perform classical molecular dynamics and statics simulations of the technetium (and, later, iron-technetium) oxide phases. Electrochemical methods were then applied to provide some benchmark information of the corrosion and electrochemical properties of Technetium metal. The results indicate that published information on Tc passivity is not complete and that further investigation is warranted.« less

2016 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

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

Runnels, Scott Robert; Bachrach, Harrison Ian; Carlson, Nils

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transportmore » and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it.« less

Persistent Homology fingerprinting of microstructural controls on larger-scale fluid flow in porous media

NASA Astrophysics Data System (ADS)

Moon, C.; Mitchell, S. A.; Callor, N.; Dewers, T. A.; Heath, J. E.; Yoon, H.; Conner, G. R.

2017-12-01

Traditional subsurface continuum multiphysics models include useful yet limiting geometrical assumptions: penny- or disc-shaped cracks, spherical or elliptical pores, bundles of capillary tubes, cubic law fracture permeability, etc. Each physics (flow, transport, mechanics) uses constitutive models with an increasing number of fit parameters that pertain to the microporous structure of the rock, but bear no inter-physics relationships or self-consistency. Recent advances in digital rock physics and pore-scale modeling link complex physics to detailed pore-level geometries, but measures for upscaling are somewhat unsatisfactory and come at a high computational cost. Continuum mechanics rely on a separation between small scale pore fluctuations and larger scale heterogeneity (and perhaps anisotropy), but this can break down (particularly for shales). Algebraic topology offers powerful mathematical tools for describing a local-to-global structure of shapes. Persistent homology, in particular, analyzes the dynamics of topological features and summarizes into numeric values. It offers a roadmap to both "fingerprint" topologies of pore structure and multiscale connectedness as well as links pore structure to physical behavior, thus potentially providing a means to relate the dependence of constitutive behaviors of pore structures in a self-consistent way. We present a persistence homology (PH) analysis framework of 3D image sets including a focused ion beam-scanning electron microscopy data set of the Selma Chalk. We extract structural characteristics of sampling volumes via persistence homology and fit a statistical model using the summarized values to estimate porosity, permeability, and connectivity—Lattice Boltzmann methods for single phase flow modeling are used to obtain the relationships. These PH methods allow for prediction of geophysical properties based on the geometry and connectivity in a computationally efficient way. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Using discrete multi-physics for detailed exploration of hydrodynamics in an in vitro colon system.

PubMed

Alexiadis, A; Stamatopoulos, K; Wen, W; Batchelor, H K; Bakalis, S; Barigou, M; Simmons, M J H

2017-02-01

We developed a mathematical model that describes the motion of viscous fluids in the partially-filled colon caused by the periodic contractions of flexible walls (peristalsis). In-vitro data are used to validate the model. The model is then used to identify two fundamental mechanisms of mass transport: the surfing mode and the pouring mode. The first mechanism is faster, but only involves the surface of the liquid. The second mechanism causes deeper mixing, and appears to be the main transport mechanism. Based on the gained understanding, we propose a series of measures that can improve the reliability of in-vitro models. The tracer in PET-like experiments, in particular, should not be injected in the first pocket, and its viscosity should be as close as possible to that of the fluid. If these conditions are not met, the dynamics of the tracer and the fluid diverge, compromising the accuracy of the in-vitro data. Copyright © 2017 Elsevier Ltd. All rights reserved.

Automating Embedded Analysis Capabilities and Managing Software Complexity in Multiphysics Simulation, Part II: Application to Partial Differential Equations

DOE PAGES

Pawlowski, Roger P.; Phipps, Eric T.; Salinger, Andrew G.; ...

2012-01-01

A template-based generic programming approach was presented in Part I of this series of papers [Sci. Program. 20 (2012), 197–219] that separates the development effort of programming a physical model from that of computing additional quantities, such as derivatives, needed for embedded analysis algorithms. In this paper, we describe the implementation details for using the template-based generic programming approach for simulation and analysis of partial differential equations (PDEs). We detail several of the hurdles that we have encountered, and some of the software infrastructure developed to overcome them. We end with a demonstration where we present shape optimization and uncertaintymore » quantification results for a 3D PDE application.« less

A liquid metal-based structurally embedded vascular antenna: I. Concept and multiphysical modeling

NASA Astrophysics Data System (ADS)

Hartl, D. J.; Frank, G. J.; Huff, G. H.; Baur, J. W.

2017-02-01

This work proposes a new concept for a reconfigurable structurally embedded vascular antenna (SEVA). The work builds on ongoing research of structurally embedded microvascular systems in laminated structures for thermal transport and self-healing and on studies of non-toxic liquid metals for reconfigurable electronics. In the example design, liquid metal-filled channels in a laminated composite act as radiating elements for a high-power planar zig-zag wire log periodic dipole antenna. Flow of liquid metal through the channels is used to limit the temperature of the composite in which the antenna is embedded. A multiphysics engineering model of the transmitting antenna is formulated that couples the electromagnetic, fluid, thermal, and mechanical responses. In part 1 of this two-part work, it is shown that the liquid metal antenna is highly reconfigurable in terms of its electromagnetic response and that dissipated thermal energy generated during high power operation can be offset by the action of circulating or cyclically replacing the liquid metal such that heat is continuously removed from the system. In fact, the SEVA can potentially outperform traditional copper-based antennas in high-power operational configurations. The coupled engineering model is implemented in an automated framework and a design of experiment study is performed to quantify first-order design trade-offs in this multifunctional structure. More rigorous design optimization is addressed in part 2.

A multiphysics and multiscale model for low frequency electromagnetic direct-chill casting

NASA Astrophysics Data System (ADS)

Košnik, N.; Guštin, A. Z.; Mavrič, B.; Šarler, B.

2016-03-01

Simulation and control of macrosegregation, deformation and grain size in low frequency electromagnetic (EM) direct-chill casting (LFEMC) is important for downstream processing. Respectively, a multiphysics and multiscale model is developed for solution of Lorentz force, temperature, velocity, concentration, deformation and grain structure of LFEMC processed aluminum alloys, with focus on axisymmetric billets. The mixture equations with lever rule, linearized phase diagram, and stationary thermoelastic solid phase are assumed, together with EM induction equation for the field imposed by the coil. Explicit diffuse approximate meshless solution procedure [1] is used for solving the EM field, and the explicit local radial basis function collocation method [2] is used for solving the coupled transport phenomena and thermomechanics fields. Pressure-velocity coupling is performed by the fractional step method [3]. The point automata method with modified KGT model is used to estimate the grain structure [4] in a post-processing mode. Thermal, mechanical, EM and grain structure outcomes of the model are demonstrated. A systematic study of the complicated influences of the process parameters can be investigated by the model, including intensity and frequency of the electromagnetic field. The meshless solution framework, with the implemented simplest physical models, will be further extended by including more sophisticated microsegregation and grain structure models, as well as a more realistic solid and solid-liquid phase rheology.

Evaluation of mechanical deformation and distributive magnetic loads with different mechanical constraints in two parallel conducting bars

NASA Astrophysics Data System (ADS)

Lee, Ho-Young; Lee, Se-Hee

2017-08-01

Mechanical deformation, bending deformation, and distributive magnetic loads were evaluated numerically and experimentally for conducting materials excited with high current. Until now, many research works have extensively studied the area of magnetic force and mechanical deformation by using coupled approaches such as multiphysics solvers. In coupled analysis for magnetoelastic problems, some articles and commercial software have presented the resultant mechanical deformation and stress on the body. To evaluate the mechanical deformation, the Lorentz force density method (LZ) and the Maxwell stress tensor method (MX) have been widely used for conducting materials. However, it is difficult to find any experimental verification regarding mechanical deformation or bending deformation due to magnetic force density. Therefore, we compared our numerical results to those from experiments with two parallel conducting bars to verify our numerical setup for bending deformation. Before showing this, the basic and interesting coupled simulation was conducted to test the mechanical deformations by the LZ (body force density) and the MX (surface force density) methods. This resulted in MX gave the same total force as LZ, but the local force distribution in MX introduced an incorrect mechanical deformation in the simulation of a solid conductor.

Cost-effective computational method for radiation heat transfer in semi-crystalline polymers

NASA Astrophysics Data System (ADS)

Boztepe, Sinan; Gilblas, Rémi; de Almeida, Olivier; Le Maoult, Yannick; Schmidt, Fabrice

2018-05-01

This paper introduces a cost-effective numerical model for infrared (IR) heating of semi-crystalline polymers. For the numerical and experimental studies presented here semi-crystalline polyethylene (PE) was used. The optical properties of PE were experimentally analyzed under varying temperature and the obtained results were used as input in the numerical studies. The model was built based on optically homogeneous medium assumption whereas the strong variation in the thermo-optical properties of semi-crystalline PE under heating was taken into account. Thus, the change in the amount radiative energy absorbed by the PE medium was introduced in the model induced by its temperature-dependent thermo-optical properties. The computational study was carried out considering an iterative closed-loop computation, where the absorbed radiation was computed using an in-house developed radiation heat transfer algorithm -RAYHEAT- and the computed results was transferred into the commercial software -COMSOL Multiphysics- for solving transient heat transfer problem to predict temperature field. The predicted temperature field was used to iterate the thermo-optical properties of PE that varies under heating. In order to analyze the accuracy of the numerical model experimental analyses were carried out performing IR-thermographic measurements during the heating of the PE plate. The applicability of the model in terms of computational cost, number of numerical input and accuracy was highlighted.

Scalable Methods for Uncertainty Quantification, Data Assimilation and Target Accuracy Assessment for Multi-Physics Advanced Simulation of Light Water Reactors

NASA Astrophysics Data System (ADS)

Khuwaileh, Bassam

High fidelity simulation of nuclear reactors entails large scale applications characterized with high dimensionality and tremendous complexity where various physics models are integrated in the form of coupled models (e.g. neutronic with thermal-hydraulic feedback). Each of the coupled modules represents a high fidelity formulation of the first principles governing the physics of interest. Therefore, new developments in high fidelity multi-physics simulation and the corresponding sensitivity/uncertainty quantification analysis are paramount to the development and competitiveness of reactors achieved through enhanced understanding of the design and safety margins. Accordingly, this dissertation introduces efficient and scalable algorithms for performing efficient Uncertainty Quantification (UQ), Data Assimilation (DA) and Target Accuracy Assessment (TAA) for large scale, multi-physics reactor design and safety problems. This dissertation builds upon previous efforts for adaptive core simulation and reduced order modeling algorithms and extends these efforts towards coupled multi-physics models with feedback. The core idea is to recast the reactor physics analysis in terms of reduced order models. This can be achieved via identifying the important/influential degrees of freedom (DoF) via the subspace analysis, such that the required analysis can be recast by considering the important DoF only. In this dissertation, efficient algorithms for lower dimensional subspace construction have been developed for single physics and multi-physics applications with feedback. Then the reduced subspace is used to solve realistic, large scale forward (UQ) and inverse problems (DA and TAA). Once the elite set of DoF is determined, the uncertainty/sensitivity/target accuracy assessment and data assimilation analysis can be performed accurately and efficiently for large scale, high dimensional multi-physics nuclear engineering applications. Hence, in this work a Karhunen-Loeve (KL) based algorithm previously developed to quantify the uncertainty for single physics models is extended for large scale multi-physics coupled problems with feedback effect. Moreover, a non-linear surrogate based UQ approach is developed, used and compared to performance of the KL approach and brute force Monte Carlo (MC) approach. On the other hand, an efficient Data Assimilation (DA) algorithm is developed to assess information about model's parameters: nuclear data cross-sections and thermal-hydraulics parameters. Two improvements are introduced in order to perform DA on the high dimensional problems. First, a goal-oriented surrogate model can be used to replace the original models in the depletion sequence (MPACT -- COBRA-TF - ORIGEN). Second, approximating the complex and high dimensional solution space with a lower dimensional subspace makes the sampling process necessary for DA possible for high dimensional problems. Moreover, safety analysis and design optimization depend on the accurate prediction of various reactor attributes. Predictions can be enhanced by reducing the uncertainty associated with the attributes of interest. Accordingly, an inverse problem can be defined and solved to assess the contributions from sources of uncertainty; and experimental effort can be subsequently directed to further improve the uncertainty associated with these sources. In this dissertation a subspace-based gradient-free and nonlinear algorithm for inverse uncertainty quantification namely the Target Accuracy Assessment (TAA) has been developed and tested. The ideas proposed in this dissertation were first validated using lattice physics applications simulated using SCALE6.1 package (Pressurized Water Reactor (PWR) and Boiling Water Reactor (BWR) lattice models). Ultimately, the algorithms proposed her were applied to perform UQ and DA for assembly level (CASL progression problem number 6) and core wide problems representing Watts Bar Nuclear 1 (WBN1) for cycle 1 of depletion (CASL Progression Problem Number 9) modeled via simulated using VERA-CS which consists of several multi-physics coupled models. The analysis and algorithms developed in this dissertation were encoded and implemented in a newly developed tool kit algorithms for Reduced Order Modeling based Uncertainty/Sensitivity Estimator (ROMUSE).

A Computational Model for Thrombus Formation in Response to Cardiovascular Implantable Devices

NASA Astrophysics Data System (ADS)

Horn, John; Ortega, Jason; Maitland, Duncan

2014-11-01

Cardiovascular implantable devices elicit complex physiological responses within blood. Notably, alterations in blood flow dynamics and interactions between blood proteins and biomaterial surface chemistry may lead to the formation of thrombus. For some devices, such as stents and heart valves, this is an adverse outcome. For other devices, such as embolic aneurysm treatments, efficient blood clot formation is desired. Thus a method to study how biomedical devices induce thrombosis is paramount to device development and optimization. A multiscale, multiphysics computational model is developed to predict thrombus formation within the vasculature. The model consists of a set of convection-diffusion-reaction partial differential equations for blood protein constituents involved in the progression of the clotting cascades. This model is used to study thrombus production from endovascular devices with the goal of optimizing the device design to generate the desired clotting response. This work was performed in part under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

DataView: a computational visualisation system for multidisciplinary design and analysis

NASA Astrophysics Data System (ADS)

Wang, Chengen

2016-01-01

Rapidly processing raw data and effectively extracting underlining information from huge volumes of multivariate data become essential to all decision-making processes in sectors like finance, government, medical care, climate analysis, industries, science, etc. Remarkably, visualisation is recognised as a fundamental technology that props up human comprehension, cognition and utilisation of burgeoning amounts of heterogeneous data. This paper presents a computational visualisation system, named DataView, which has been developed for graphically displaying and capturing outcomes of multiphysics problem-solvers widely used in engineering fields. The DataView is functionally composed of techniques for table/diagram representation, and graphical illustration of scalar, vector and tensor fields. The field visualisation techniques are implemented on the basis of a range of linear and non-linear meshes, which flexibly adapts to disparate data representation schemas adopted by a variety of disciplinary problem-solvers. The visualisation system has been successfully applied to a number of engineering problems, of which some illustrations are presented to demonstrate effectiveness of the visualisation techniques.

Analysis of physics-based preconditioning for single-phase subchannel equations

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

Hansel, J. E.; Ragusa, J. C.; Allu, S.

2013-07-01

The (single-phase) subchannel approximations are used throughout nuclear engineering to provide an efficient flow simulation because the computational burden is much smaller than for computational fluid dynamics (CFD) simulations, and empirical relations have been developed and validated to provide accurate solutions in appropriate flow regimes. Here, the subchannel equations have been recast in a residual form suitable for a multi-physics framework. The Eigen spectrum of the Jacobian matrix, along with several potential physics-based preconditioning approaches, are evaluated, and the the potential for improved convergence from preconditioning is assessed. The physics-based preconditioner options include several forms of reduced equations that decouplemore » the subchannels by neglecting crossflow, conduction, and/or both turbulent momentum and energy exchange between subchannels. Eigen-scopy analysis shows that preconditioning moves clusters of eigenvalues away from zero and toward one. A test problem is run with and without preconditioning. Without preconditioning, the solution failed to converge using GMRES, but application of any of the preconditioners allowed the solution to converge. (authors)« less

PLZT Ceramic Driving Rotary Micro-mirror Based on Photoelectric-electrostatic Mechanism

NASA Astrophysics Data System (ADS)

Tang, Yujuan; Yang, Zhong; Chen, Yusong; Wang, Xinjie

2017-12-01

Based on the anomalous photovoltaic effect of PLZT, a rotary micro-mirror driven by hybrid photoelectric-electrostatic actuation of PLZT ceramic is proposed. Firstly, the mathematical modelling of coupled multi-physics fields of PLZT ceramic is established during illumination and light off phases. Then, the relationship between the rotation angle and the photovoltage of PLZT ceramics is established. In addition, the feasibility of rotary micro-mirror with hybrid photoelectric-electrostatic driving is verified via closed-loop control for photo-induced voltage of PLZT ceramic. The experimental results show that the photo-induced voltage of PLZT ceramics has good dynamic control precision using on-off closed-loop control method.

Multi-Physics Analysis of the Fermilab Booster RF Cavity

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

Awida, M.; Reid, J.; Yakovlev, V.

After about 40 years of operation the RF accelerating cavities in Fermilab Booster need an upgrade to improve their reliability and to increase the repetition rate in order to support a future experimental program. An increase in the repetitio n rate from 7 to 15 Hz entails increasing the power dissipation in the RF cavities, their ferrite loaded tuners, and HOM dampers. The increased duty factor requires careful modelling for the RF heating effects in the cavity. A multi-physic analysis invest igating both the RF and thermal properties of Booster cavity under various operating conditions is presented in this paper.

Multi-Physics Analysis of the Fermilab Booster RF Cavity

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

Awida, M.; Reid, J.; Yakovlev, V.

After about 40 years of operation the RF accelerating cavities in Fermilab Booster need an upgrade to improve their reliability and to increase the repetition rate in order to support a future experimental program. An increase in the repetition rate from 7 to 15 Hz entails increasing the power dissipation in the RF cavities, their ferrite loaded tuners, and HOM dampers. The increased duty factor requires careful modelling for the RF heating effects in the cavity. A multi-physic analysis investigating both the RF and thermal properties of Booster cavity under various operating conditions is presented in this paper.

Modeling of the thermal comfort in vehicles using COMSOL multiphysics

NASA Astrophysics Data System (ADS)

Gavrila, Camelia; Vartires, Andreea

2016-12-01

The environmental quality in vehicles is a very important aspect of building design and evaluation of the influence of the thermal comfort inside the car for ensuring a safe trip. The aim of this paper is to modeling and simulating the thermal comfort inside the vehicles, using COMSOL Multiphysics program, for different ventilation grilles. The objective will be the implementing innovative air diffusion grilles in a prototype vehicle. The idea behind this goal is to introduce air diffusers with a special geometry allowing improving mixing between the hot or the cold conditioned air introduced in the cockpit and the ambient.

FEM numerical model study of heating in magnetic nanoparticles

NASA Astrophysics Data System (ADS)

Pearce, John A.; Cook, Jason R.; Hoopes, P. Jack; Giustini, Andrew

2011-03-01

Electromagnetic heating of nanoparticles is complicated by the extremely short thermal relaxation time constants and difficulty of coupling sufficient power into the particles to achieve desired temperatures. Magnetic field heating by the hysteresis loop mechanism at frequencies between about 100 and 300 kHz has proven to be an effective mechanism in magnetic nanoparticles. Experiments at 2.45 GHz show that Fe3O4 magnetite nanoparticle dispersions in the range of 1012 to 1013 NP/mL also heat substantially at this frequency. An FEM numerical model study was undertaken to estimate the order of magnitude of volume power density, Qgen (W m-3) required to achieve significant heating in evenly dispersed and aggregated clusters of nanoparticles. The FEM models were computed using Comsol Multiphysics; consequently the models were confined to continuum formulations and did not include film nano-dimension heat transfer effects at the nanoparticle surface. As an example, the models indicate that for a single 36 nm diameter particle at an equivalent dispersion of 1013 NP/mL located within one control volume (1.0 x 10-19 m3) of a capillary vessel a power density in the neighborhood of 1017 (W m-3) is required to achieve a steady state particle temperature of 52°C - the total power coupled to the particle is 2.44 μW. As a uniformly distributed particle cluster moves farther from the capillary the required power density decreases markedly. Finally, the tendency for particles in vivo to cluster together at separation distances much less than those of the uniform distribution further reduces the required power density.

Climbing the Ladder of Star Formation Feedback

NASA Astrophysics Data System (ADS)

Frank, Adam

2012-10-01

While much is understood about isolated star formation, the opposite is true for star formation in clusters of both low and high mass. In particular the mechanisms by which many coevally formed stars affect their parent cloud environment remains poorly characterized. Fundamental questions such as interplay between multiple outflows, ionization fronts and turbulence are just beginning to be fully articulated. Distinguishing between the nature of feedback in clusters of different mass is also critical. In high mass clusters O stars are expected to dominate energetics while in low mass clusters multiple collimated outflows may represent the dominant feedback mechanism. Thus the issue of feedback modalities in clusters of different masses represents one of the major challenges to the next generation of star formation studies. In this proposal we seek to carry forward a focused theoretical study of feedback in both low and high-mass cluster environments with direct connections to observations. Using a state-of-the-art Adaptive Mesh Refinement MHD multi-physics code {developed by our group} we propose two computational studies: {1} multiple, interacting outflows and their role in altering the properties of a parent low mass cluster {2} Poorly collimated outburst/outflows from massive star{s} and their effect on high mass cluster star forming environments. In both cases we will use initial conditions derived from high-resolution AMR MHD simulations of cloud/cluster formation. Synthetic observations derived from the simulations {in a variety of emission lines from ions to atoms to molecules} will allow for direct contact with HST and other star formation databases.

A coupled model of transport-reaction-mechanics with trapping. Part I - Small strain analysis

NASA Astrophysics Data System (ADS)

Salvadori, A.; McMeeking, R.; Grazioli, D.; Magri, M.

2018-05-01

A fully coupled model for mass and heat transport, mechanics, and chemical reactions with trapping is proposed. It is rooted in non-equilibrium rational thermodynamics and assumes that displacements and strains are small. Balance laws for mass, linear and angular momentum, energy, and entropy are stated. Thermodynamic restrictions are identified, based on an additive strain decomposition and on the definition of the Helmholtz free energy. Constitutive theory and chemical kinetics are studied in order to finally write the governing equations for the multi-physics problem. The field equations are solved numerically with the finite element method, stemming from a three-fields variational formulation. Three case-studies on vacancies redistribution in metals, hydrogen embrittlement, and the charge-discharge of active particles in Li-ion batteries demonstrate the features and the potential of the proposed model.

Thermo-mechanical behavior of power electronic packaging assemblies: From characterization to predictive simulation of lifetimes

NASA Astrophysics Data System (ADS)

Dalverny, O.; Alexis, J.

2018-02-01

This article deals with thermo-mechanical behavior of power electronic modules used in several transportation applications as railway, aeronautic or automotive systems. Due to a multi-layered structures, involving different materials with a large variation of coefficient of thermal expansion, temperature variations originated from active or passive cycling (respectively from die dissipation or environmental constraint) induces strain and stresses field variations, giving fatigue phenomenon of the system. The analysis of the behavior of these systems and their dimensioning require the implementation of complex modeling strategies by both the multi-physical and the multi-scale character of the power modules. In this paper we present some solutions for studying the thermomechanical behavior of brazed assemblies as well as taking into account the interfaces represented by the numerous metallizations involved in the process assembly.

Advances and Challenges In Uncertainty Quantification with Application to Climate Prediction, ICF design and Science Stockpile Stewardship

NASA Astrophysics Data System (ADS)

Klein, R.; Woodward, C. S.; Johannesson, G.; Domyancic, D.; Covey, C. C.; Lucas, D. D.

2012-12-01

Uncertainty Quantification (UQ) is a critical field within 21st century simulation science that resides at the very center of the web of emerging predictive capabilities. The science of UQ holds the promise of giving much greater meaning to the results of complex large-scale simulations, allowing for quantifying and bounding uncertainties. This powerful capability will yield new insights into scientific predictions (e.g. Climate) of great impact on both national and international arenas, allow informed decisions on the design of critical experiments (e.g. ICF capsule design, MFE, NE) in many scientific fields, and assign confidence bounds to scientifically predictable outcomes (e.g. nuclear weapons design). In this talk I will discuss a major new strategic initiative (SI) we have developed at Lawrence Livermore National Laboratory to advance the science of Uncertainty Quantification at LLNL focusing in particular on (a) the research and development of new algorithms and methodologies of UQ as applied to multi-physics multi-scale codes, (b) incorporation of these advancements into a global UQ Pipeline (i.e. a computational superstructure) that will simplify user access to sophisticated tools for UQ studies as well as act as a self-guided, self-adapting UQ engine for UQ studies on extreme computing platforms and (c) use laboratory applications as a test bed for new algorithms and methodologies. The initial SI focus has been on applications for the quantification of uncertainty associated with Climate prediction, but the validated UQ methodologies we have developed are now being fed back into Science Based Stockpile Stewardship (SSS) and ICF UQ efforts. To make advancements in several of these UQ grand challenges, I will focus in talk on the following three research areas in our Strategic Initiative: Error Estimation in multi-physics and multi-scale codes ; Tackling the "Curse of High Dimensionality"; and development of an advanced UQ Computational Pipeline to enable complete UQ workflow and analysis for ensemble runs at the extreme scale (e.g. exascale) with self-guiding adaptation in the UQ Pipeline engine. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was funded by the Uncertainty Quantification Strategic Initiative Laboratory Directed Research and Development Project at LLNL under project tracking code 10-SI-013 (UCRL LLNL-ABS-569112).

The development of a thermal hydraulic feedback mechanism with a quasi-fixed point iteration scheme for control rod position modeling for the TRIGSIMS-TH application

NASA Astrophysics Data System (ADS)

Karriem, Veronica V.

Nuclear reactor design incorporates the study and application of nuclear physics, nuclear thermal hydraulic and nuclear safety. Theoretical models and numerical methods implemented in computer programs are utilized to analyze and design nuclear reactors. The focus of this PhD study's is the development of an advanced high-fidelity multi-physics code system to perform reactor core analysis for design and safety evaluations of research TRIGA-type reactors. The fuel management and design code system TRIGSIMS was further developed to fulfill the function of a reactor design and analysis code system for the Pennsylvania State Breazeale Reactor (PSBR). TRIGSIMS, which is currently in use at the PSBR, is a fuel management tool, which incorporates the depletion code ORIGEN-S (part of SCALE system) and the Monte Carlo neutronics solver MCNP. The diffusion theory code ADMARC-H is used within TRIGSIMS to accelerate the MCNP calculations. It manages the data and fuel isotopic content and stores it for future burnup calculations. The contribution of this work is the development of an improved version of TRIGSIMS, named TRIGSIMS-TH. TRIGSIMS-TH incorporates a thermal hydraulic module based on the advanced sub-channel code COBRA-TF (CTF). CTF provides the temperature feedback needed in the multi-physics calculations as well as the thermal hydraulics modeling capability of the reactor core. The temperature feedback model is using the CTF-provided local moderator and fuel temperatures for the cross-section modeling for ADMARC-H and MCNP calculations. To perform efficient critical control rod calculations, a methodology for applying a control rod position was implemented in TRIGSIMS-TH, making this code system a modeling and design tool for future core loadings. The new TRIGSIMS-TH is a computer program that interlinks various other functional reactor analysis tools. It consists of the MCNP5, ADMARC-H, ORIGEN-S, and CTF. CTF was coupled with both MCNP and ADMARC-H to provide the heterogeneous temperature distribution throughout the core. Each of these codes is written in its own computer language performing its function and outputs a set of data. TRIGSIMS-TH provides an effective use and data manipulation and transfer between different codes. With the implementation of feedback and control- rod-position modeling methodologies, the TRIGSIMS-TH calculations are more accurate and in a better agreement with measured data. The PSBR is unique in many ways and there are no "off-the-shelf" codes, which can model this design in its entirety. In particular, PSBR has an open core design, which is cooled by natural convection. Combining several codes into a unique system brings many challenges. It also requires substantial knowledge of both operation and core design of the PSBR. This reactor is in operation decades and there is a fair amount of studies and developments in both PSBR thermal hydraulics and neutronics. Measured data is also available for various core loadings and can be used for validation activities. The previous studies and developments in PSBR modeling also aids as a guide to assess the findings of the work herein. In order to incorporate new methods and codes into exiting TRIGSIMS, a re-evaluation of various components of the code was performed to assure the accuracy and efficiency of the existing CTF/MCNP5/ADMARC-H multi-physics coupling. A new set of ADMARC-H diffusion coefficients and cross sections was generated using the SERPENT code. This was needed as the previous data was not generated with thermal hydraulic feedback and the ARO position was used as the critical rod position. The B4C was re-evaluated for this update. The data exchange between ADMARC-H and MCNP5 was modified. The basic core model is given a flexibility to allow for various changes within the core model, and this feature was implemented in TRIGSIMS-TH. The PSBR core in the new code model can be expanded and changed. This allows the new code to be used as a modeling tool for design and analyses of future code loadings.

Research and Development of Multiphysics Models in Support of the Conversion of the High Flux Isotope Reactor to Low Enriched Uranium Fuel

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

Bodey, Isaac T.; Curtis, Franklin G.; Arimilli, Rao V.

The findings presented in this report are results of a five year effort led by the RRD Division of the ORNL, which is focused on research and development toward the conversion of the High Flux Isotope Reactor (HFIR) fuel from high-enriched uranium (HEU) to low-enriched uranium (LEU). This report focuses on the tasks accomplished by the University of Tennessee Knoxville (UTK) team from the Department of Mechanical, Aerospace, and Biomedical Engineering (MABE) that provided expert support in multiphysics modeling of complex problems associated with the LEU conversion of the HFIR reactor. The COMSOL software was used as the main computationalmore » modeling tool, whereas Solidworks was also used in support of computer-aided-design (CAD) modeling of the proposed LEU fuel design. The UTK research has been governed by a statement of work (SOW), which was updated annually to clearly define the specific tasks reported herein. Ph.D. student Isaac T. Bodey has focused on heat transfer and fluid flow modeling issues and has been aided by his major professor Dr. Rao V. Arimilli. Ph.D. student Franklin G. Curtis has been focusing on modeling the fluid-structure interaction (FSI) phenomena caused by the mechanical forces acting on the fuel plates, which in turn affect the fluid flow in between the fuel plates, and ultimately the heat transfer, is also affected by the FSI changes. Franklin Curtis has been aided by his major professor Dr. Kivanc Ekici. M.Sc. student Adam R. Travis has focused two major areas of research: (1) on accurate CAD modeling of the proposed LEU plate design, and (2) reduction of the model complexity and dimensionality through interdimensional coupling of the fluid flow and heat transfer for the HFIR plate geometry. Adam Travis is also aided by his major professor, Dr. Kivanc Ekici. We must note that the UTK team, and particularly the graduate students, have been in very close collaboration with Dr. James D. Freels (ORNL technical monitor and mentor) and have benefited greatly from his leadership and expertise in COMSOL modeling of complex physical phenomena. Both UTK and ORNL teams have used COMSOL releases 3.4 through 5.0 inclusive (with particular emphasis on 3.5a, 4.3a, 4.3b, and 4.4) for most of the work described in this report, except where stated otherwise. Just as in the performance of the research, each of the respective sections has been originally authored by respective authors. Therefore, the reader will observe a contrast in writing style throughout this document.« less

2015 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

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

Runnels, Scott Robert; Caldwell, Wendy; Brown, Barton Jed

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transportmore » and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it. This report includes both the background for the program and the reports from the students.« less

Multilevel UQ strategies for large-scale multiphysics applications: PSAAP II solar receiver

NASA Astrophysics Data System (ADS)

Jofre, Lluis; Geraci, Gianluca; Iaccarino, Gianluca

2017-06-01

Uncertainty quantification (UQ) plays a fundamental part in building confidence in predictive science. Of particular interest is the case of modeling and simulating engineering applications where, due to the inherent complexity, many uncertainties naturally arise, e.g. domain geometry, operating conditions, errors induced by modeling assumptions, etc. In this regard, one of the pacing items, especially in high-fidelity computational fluid dynamics (CFD) simulations, is the large amount of computing resources typically required to propagate incertitude through the models. Upcoming exascale supercomputers will significantly increase the available computational power. However, UQ approaches cannot entrust their applicability only on brute force Monte Carlo (MC) sampling; the large number of uncertainty sources and the presence of nonlinearities in the solution will make straightforward MC analysis unaffordable. Therefore, this work explores the multilevel MC strategy, and its extension to multi-fidelity and time convergence, to accelerate the estimation of the effect of uncertainties. The approach is described in detail, and its performance demonstrated on a radiated turbulent particle-laden flow case relevant to solar energy receivers (PSAAP II: Particle-laden turbulence in a radiation environment). Investigation funded by DoE's NNSA under PSAAP II.

Petascale computation performance of lightweight multiscale cardiac models using hybrid programming models.

PubMed

Pope, Bernard J; Fitch, Blake G; Pitman, Michael C; Rice, John J; Reumann, Matthias

2011-01-01

Future multiscale and multiphysics models must use the power of high performance computing (HPC) systems to enable research into human disease, translational medical science, and treatment. Previously we showed that computationally efficient multiscale models will require the use of sophisticated hybrid programming models, mixing distributed message passing processes (e.g. the message passing interface (MPI)) with multithreading (e.g. OpenMP, POSIX pthreads). The objective of this work is to compare the performance of such hybrid programming models when applied to the simulation of a lightweight multiscale cardiac model. Our results show that the hybrid models do not perform favourably when compared to an implementation using only MPI which is in contrast to our results using complex physiological models. Thus, with regards to lightweight multiscale cardiac models, the user may not need to increase programming complexity by using a hybrid programming approach. However, considering that model complexity will increase as well as the HPC system size in both node count and number of cores per node, it is still foreseeable that we will achieve faster than real time multiscale cardiac simulations on these systems using hybrid programming models.

Multi-GPU hybrid programming accelerated three-dimensional phase-field model in binary alloy

NASA Astrophysics Data System (ADS)

Zhu, Changsheng; Liu, Jieqiong; Zhu, Mingfang; Feng, Li

2018-03-01

In the process of dendritic growth simulation, the computational efficiency and the problem scales have extremely important influence on simulation efficiency of three-dimensional phase-field model. Thus, seeking for high performance calculation method to improve the computational efficiency and to expand the problem scales has a great significance to the research of microstructure of the material. A high performance calculation method based on MPI+CUDA hybrid programming model is introduced. Multi-GPU is used to implement quantitative numerical simulations of three-dimensional phase-field model in binary alloy under the condition of multi-physical processes coupling. The acceleration effect of different GPU nodes on different calculation scales is explored. On the foundation of multi-GPU calculation model that has been introduced, two optimization schemes, Non-blocking communication optimization and overlap of MPI and GPU computing optimization, are proposed. The results of two optimization schemes and basic multi-GPU model are compared. The calculation results show that the use of multi-GPU calculation model can improve the computational efficiency of three-dimensional phase-field obviously, which is 13 times to single GPU, and the problem scales have been expanded to 8193. The feasibility of two optimization schemes is shown, and the overlap of MPI and GPU computing optimization has better performance, which is 1.7 times to basic multi-GPU model, when 21 GPUs are used.

Achieving bifunctional cloak via combination of passive and active schemes

NASA Astrophysics Data System (ADS)

Lan, Chuwen; Bi, Ke; Gao, Zehua; Li, Bo; Zhou, Ji

2016-11-01

In this study, a simple and delicate approach to realizing manipulation of multi-physics field simultaneously through combination of passive and active schemes is proposed. In the design, one physical field is manipulated with passive scheme while the other with active scheme. As a proof of this concept, a bifunctional device is designed and fabricated to behave as electric and thermal invisibility cloak simultaneously. It is found that the experimental results are consistent with the simulated ones well, confirming the feasibility of our method. Furthermore, the proposed method could also be extended to other multi-physics fields, which might lead to potential applications in thermal, electric, and acoustic areas.

Numerical simulation of synthesis gas incineration

NASA Astrophysics Data System (ADS)

Kazakov, A. V.; Khaustov, S. A.; Tabakaev, R. B.; Belousova, Y. A.

2016-04-01

The authors have analysed the expediency of the suggested low-grade fuels application method. Thermal processing of solid raw materials in the gaseous fuel, called synthesis gas, is investigated. The technical challenges concerning the applicability of the existing gas equipment developed and extensively tested exclusively for natural gas were considered. For this purpose computer simulation of three-dimensional syngas-incinerating flame dynamics was performed by means of the ANSYS Multiphysics engineering software. The subjects of studying were: a three-dimensional aerodynamic flame structure, heat-release and temperature fields, a set of combustion properties: a flare range and the concentration distribution of burnout reagents. The obtained results were presented in the form of a time-averaged pathlines with color indexing. The obtained results can be used for qualitative and quantitative evaluation of complex multicomponent gas incineration singularities.

Numerical Modeling of the Photothermal Processing for Bubble Forming around Nanowire in a Liquid

PubMed Central

Chaari, Anis; Giraud-Moreau, Laurence

2014-01-01

An accurate computation of the temperature is an important factor in determining the shape of a bubble around a nanowire immersed in a liquid. The study of the physical phenomenon consists in solving a photothermic coupled problem between light and nanowire. The numerical multiphysic model is used to study the variations of the temperature and the shape of the created bubble by illumination of the nanowire. The optimization process, including an adaptive remeshing scheme, is used to solve the problem through a finite element method. The study of the shape evolution of the bubble is made taking into account the physical and geometrical parameters of the nanowire. The relation between the sizes and shapes of the bubble and nanowire is deduced. PMID:24795538

LAURA Users Manual: 5.3-48528

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Chirstopher O.; Kleb, Bil

2010-01-01

This users manual provides in-depth information concerning installation and execution of LAURA, version 5. LAURA is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 LAURA code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem-dependent re-compilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multi-physics coupling. As a result, LAURA now shares gas-physics modules, MPI modules, and other low-level modules with the FUN3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

LAURA Users Manual: 5.5-64987

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Christopher O.; Kleb, William L.

2013-01-01

This users manual provides in-depth information concerning installation and execution of LAURA, version 5. LAURA is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 LAURA code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintain ability by eliminating the requirement for problem dependent recompilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multi-physics coupling. As a result, LAURA now shares gas-physics modules, MPI modules, and other low-level modules with the Fun3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

LAURA Users Manual: 5.4-54166

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Christopher O.; Kleb, Bil

2011-01-01

This users manual provides in-depth information concerning installation and execution of Laura, version 5. Laura is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 Laura code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem dependent re-compilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multi-physics coupling. As a result, Laura now shares gas-physics modules, MPI modules, and other low-level modules with the Fun3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

LAURA Users Manual: 5.2-43231

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Christopher O.; Kleb, Bil

2009-01-01

This users manual provides in-depth information concerning installation and execution of LAURA, version 5. LAURA is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 LAURA code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem-dependent re-compilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multiphysics coupling. As a result, LAURA now shares gas-physics modules, MPI modules, and other low-level modules with the FUN3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

Laura Users Manual: 5.1-41601

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Christopher O.; Kleb, Bil

2009-01-01

This users manual provides in-depth information concerning installation and execution of LAURA, version 5. LAURA is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 LAURA code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem-dependent re-compilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multiphysics coupling. As a result, LAURA now shares gas-physics modules, MPI modules, and other low-level modules with the FUN3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

The iterative thermal emission method: A more implicit modification of IMC

DOE PAGES

Long, A. R.; Gentile, N. A.; Palmer, T. S.

2014-08-19

For over 40 years, the Implicit Monte Carlo (IMC) method has been used to solve challenging problems in thermal radiative transfer. These problems typically contain regions that are optically thick and diffusive, as a consequence of the high degree of “pseudo-scattering” introduced to model the absorption and reemission of photons from a tightly-coupled, radiating material. IMC has several well-known features that could be improved: a) it can be prohibitively computationally expensive, b) it introduces statistical noise into the material and radiation temperatures, which may be problematic in multiphysics simulations, and c) under certain conditions, solutions can be nonphysical, in thatmore » they violate a maximum principle, where IMC-calculated temperatures can be greater than the maximum temperature used to drive the problem.« less

Principles of thermoacoustic energy harvesting

NASA Astrophysics Data System (ADS)

Avent, A. W.; Bowen, C. R.

2015-11-01

Thermoacoustics exploit a temperature gradient to produce powerful acoustic pressure waves. The technology has a key role to play in energy harvesting systems. A time-line in the development of thermoacoustics is presented from its earliest recorded example in glass blowing through to the development of the Sondhauss and Rijke tubes to Stirling engines and pulse-tube cryo-cooling. The review sets the current literature in context, identifies key publications and promising areas of research. The fundamental principles of thermoacoustic phenomena are explained; design challenges and factors influencing efficiency are explored. Thermoacoustic processes involve complex multi-physical coupling and transient, highly non-linear relationships which are computationally expensive to model; appropriate numerical modelling techniques and options for analyses are presented. Potential methods of harvesting the energy in the acoustic waves are also examined.

Tissue characterization using electrical impedance spectroscopy data: a linear algebra approach.

PubMed

Laufer, Shlomi; Solomon, Stephen B; Rubinsky, Boris

2012-06-01

In this study, we use a new linear algebra manipulation on electrical impedance spectroscopy measurements to provide real-time information regarding the nature of the tissue surrounding the needle in minimal invasive procedures. Using a Comsol Multiphysics three-dimensional model, a phantom based on ex vivo animal tissue and in vivo animal data, we demonstrate how tissue inhomogeneity can be characterized without any previous knowledge of the electrical properties of the different tissues, except that they should not be linearly dependent on a certain frequency range. This method may have applications in needle biopsies, radiation seeds, or minimally invasive surgery and can reduce the number of computer tomography or magnetic resonance imaging images. We conclude by demonstrating how this mathematical approach can be useful in other applications.

Baseline process description for simulating plutonium oxide production for precalc project

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

Pike, J. A.

Savannah River National Laboratory (SRNL) started a multi-year project, the PreCalc Project, to develop a computational simulation of a plutonium oxide (PuO 2) production facility with the objective to study the fundamental relationships between morphological and physicochemical properties. This report provides a detailed baseline process description to be used by SRNL personnel and collaborators to facilitate the initial design and construction of the simulation. The PreCalc Project team selected the HB-Line Plutonium Finishing Facility as the basis for a nominal baseline process since the facility is operational and significant model validation data can be obtained. The process boundary as wellmore » as process and facility design details necessary for multi-scale, multi-physics models are provided.« less

OpenCMISS: a multi-physics & multi-scale computational infrastructure for the VPH/Physiome project.

PubMed

Bradley, Chris; Bowery, Andy; Britten, Randall; Budelmann, Vincent; Camara, Oscar; Christie, Richard; Cookson, Andrew; Frangi, Alejandro F; Gamage, Thiranja Babarenda; Heidlauf, Thomas; Krittian, Sebastian; Ladd, David; Little, Caton; Mithraratne, Kumar; Nash, Martyn; Nickerson, David; Nielsen, Poul; Nordbø, Oyvind; Omholt, Stig; Pashaei, Ali; Paterson, David; Rajagopal, Vijayaraghavan; Reeve, Adam; Röhrle, Oliver; Safaei, Soroush; Sebastián, Rafael; Steghöfer, Martin; Wu, Tim; Yu, Ting; Zhang, Heye; Hunter, Peter

2011-10-01

The VPH/Physiome Project is developing the model encoding standards CellML (cellml.org) and FieldML (fieldml.org) as well as web-accessible model repositories based on these standards (models.physiome.org). Freely available open source computational modelling software is also being developed to solve the partial differential equations described by the models and to visualise results. The OpenCMISS code (opencmiss.org), described here, has been developed by the authors over the last six years to replace the CMISS code that has supported a number of organ system Physiome projects. OpenCMISS is designed to encompass multiple sets of physical equations and to link subcellular and tissue-level biophysical processes into organ-level processes. In the Heart Physiome project, for example, the large deformation mechanics of the myocardial wall need to be coupled to both ventricular flow and embedded coronary flow, and the reaction-diffusion equations that govern the propagation of electrical waves through myocardial tissue need to be coupled with equations that describe the ion channel currents that flow through the cardiac cell membranes. In this paper we discuss the design principles and distributed memory architecture behind the OpenCMISS code. We also discuss the design of the interfaces that link the sets of physical equations across common boundaries (such as fluid-structure coupling), or between spatial fields over the same domain (such as coupled electromechanics), and the concepts behind CellML and FieldML that are embodied in the OpenCMISS data structures. We show how all of these provide a flexible infrastructure for combining models developed across the VPH/Physiome community. Copyright © 2011 Elsevier Ltd. All rights reserved.

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

A three-dimensional non-isothermal model for a membraneless direct methanol redox fuel cell

NASA Astrophysics Data System (ADS)

Wei, Lin; Yuan, Xianxia; Jiang, Fangming

2018-05-01

In the membraneless direct methanol redox fuel cell (DMRFC), three-dimensional electrodes contribute to the reduction of methanol crossover and the open separator design lowers the system cost and extends its service life. In order to better understand the mechanisms of this configuration and further optimize its performance, the development of a three-dimensional numerical model is reported in this work. The governing equations of the multi-physics field are solved based on computational fluid dynamics methodology, and the influence of the CO2 gas is taken into consideration through the effective diffusivities. The numerical results are in good agreement with experimental data, and the deviation observed for cases of large current density may be related to the single-phase assumption made. The three-dimensional electrode is found to be effective in controlling methanol crossover in its multi-layer structure, while it also increases the flow resistance for the discharging products. It is found that the current density distribution is affected by both the electronic conductivity and the concentration of reactants, and the temperature rise can be primarily attributed to the current density distribution. The sensitivity and reliability of the model are analyzed through the investigation of the effects of cell parameters, including porosity values of gas diffusion layers and catalyst layers, methanol concentration and CO2 volume fraction, on the polarization characteristics.

A multi-cloak bifunctional device

NASA Astrophysics Data System (ADS)

Raza, Muhammad; Liu, Yichao; Ma, Yungui

2015-01-01

Invisibility cloak has attracted the attention of electromagnetic researchers due to its magical properties and marvelous potential applications in the field of applied physics and engineering. Recently, a multiphysics cloaking has put the new spirit into this field. In this paper, we introduce a device, composed of three shells and each shell works as an invisibility cloak for a specific physical phenomenon. Following this technique, a number of cloaks with different implementation approaches can be proposed for distinct physical phenomena in a single structure. Here, we restrict ourselves for the case of two physical behaviors: thermal and electrical conductivities. This type of multi-cloaking structure can be best used in mechanically designed structures to better control heating and electrical effects.

Microsputterer with integrated ion-drag focusing for additive manufacturing of thin, narrow conductive lines

NASA Astrophysics Data System (ADS)

Kornbluth, Y. S.; Mathews, R. H.; Parameswaran, L.; Racz, L. M.; Velásquez-García, L. F.

2018-04-01

We report the design, modelling, and proof-of-concept demonstration of a continuously fed, atmospheric-pressure microplasma metal sputterer that is capable of printing conductive lines narrower than the width of the target without the need for post-processing or lithographic patterning. Ion drag-induced focusing is harnessed to print narrow lines; the focusing mechanism is modelled via COMSOL Multiphysics simulations and validated with experiments. A microplasma sputter head with gold target is constructed and used to deposit imprints with minimum feature sizes as narrow as 9 µm, roughness as small as 55 nm, and electrical resistivity as low as 1.1 µΩ · m.

Fabrication and magnetic control of bacteria-inspired robotic microswimmers

NASA Astrophysics Data System (ADS)

Cheang, U. Kei; Roy, Dheeraj; Lee, Jun Hee; Kim, Min Jun

2010-11-01

A biomimetic, microscale system using the mechanics of swimming bacteria has been fabricated and controlled in a low Reynolds number fluidic environment. The microswimmer consists of a polystyrene microbead conjugated to a magnetic nanoparticle via a flagellar filament using avidin-biotin linkages. The flagellar filaments were isolated from the bacterium, Salmonella typhimurium. Propulsion energy was supplied by an external rotating magnetic field designed in an approximate Helmholtz configuration. Further, the finite element analysis software, COMSOL MULTIPHYSICS, was used to develop a simulation of the robotic devices within the magnetic controller. The robotic microswimmers exhibited flagellar propulsion in two-dimensional magnetic fields, which demonstrate controllability of the biomimetically designed devices for future biomedical applications.

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

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

Shahab, S.; Gray, M.; Erturk, A., E-mail: alper.erturk@me.gatech.edu

2015-03-14

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

Flexible energy harvesting from hard piezoelectric beams

NASA Astrophysics Data System (ADS)

Delnavaz, Aidin; Voix, Jérémie

2016-11-01

This paper presents design, multiphysics finite element modeling and experimental validation of a new miniaturized PZT generator that integrates a bulk piezoelectric ceramic onto a flexible platform for energy harvesting from the human body pressing force. In spite of its flexibility, the mechanical structure of the proposed device is simple to fabricate and efficient for the energy conversion. The finite element model involves both mechanical and piezoelectric parts of the device coupled with the electrical circuit model. The energy harvester prototype was fabricated and tested under the low frequency periodic pressing force during 10 seconds. The experimental results show that several nano joules of electrical energy is stored in a capacitor that is quite significant given the size of the device. The finite element model is validated by observing a good agreement between experimental and simulation results. the validated model could be used for optimizing the device for energy harvesting from earcanal deformations.

Linear finite-difference bond graph model of an ionic polymer actuator

NASA Astrophysics Data System (ADS)

Bentefrit, M.; Grondel, S.; Soyer, C.; Fannir, A.; Cattan, E.; Madden, J. D.; Nguyen, T. M. G.; Plesse, C.; Vidal, F.

2017-09-01

With the recent growing interest for soft actuation, many new types of ionic polymers working in air have been developed. Due to the interrelated mechanical, electrical, and chemical properties which greatly influence the characteristics of such actuators, their behavior is complex and difficult to understand, predict and optimize. In light of this challenge, an original linear multiphysics finite difference bond graph model was derived to characterize this ionic actuation. This finite difference scheme was divided into two coupled subparts, each related to a specific physical, electrochemical or mechanical domain, and then converted into a bond graph model as this language is particularly suited for systems from multiple energy domains. Simulations were then conducted and a good agreement with the experimental results was obtained. Furthermore, an analysis of the power efficiency of such actuators as a function of space and time was proposed and allowed to evaluate their performance.

Large scale cardiac modeling on the Blue Gene supercomputer.

PubMed

Reumann, Matthias; Fitch, Blake G; Rayshubskiy, Aleksandr; Keller, David U; Weiss, Daniel L; Seemann, Gunnar; Dössel, Olaf; Pitman, Michael C; Rice, John J

2008-01-01

Multi-scale, multi-physical heart models have not yet been able to include a high degree of accuracy and resolution with respect to model detail and spatial resolution due to computational limitations of current systems. We propose a framework to compute large scale cardiac models. Decomposition of anatomical data in segments to be distributed on a parallel computer is carried out by optimal recursive bisection (ORB). The algorithm takes into account a computational load parameter which has to be adjusted according to the cell models used. The diffusion term is realized by the monodomain equations. The anatomical data-set was given by both ventricles of the Visible Female data-set in a 0.2 mm resolution. Heterogeneous anisotropy was included in the computation. Model weights as input for the decomposition and load balancing were set to (a) 1 for tissue and 0 for non-tissue elements; (b) 10 for tissue and 1 for non-tissue elements. Scaling results for 512, 1024, 2048, 4096 and 8192 computational nodes were obtained for 10 ms simulation time. The simulations were carried out on an IBM Blue Gene/L parallel computer. A 1 s simulation was then carried out on 2048 nodes for the optimal model load. Load balances did not differ significantly across computational nodes even if the number of data elements distributed to each node differed greatly. Since the ORB algorithm did not take into account computational load due to communication cycles, the speedup is close to optimal for the computation time but not optimal overall due to the communication overhead. However, the simulation times were reduced form 87 minutes on 512 to 11 minutes on 8192 nodes. This work demonstrates that it is possible to run simulations of the presented detailed cardiac model within hours for the simulation of a heart beat.

Modeling of Lithium Niobate (LiNbO3) and Aluminum Nitride (AlN) Nanowires Using Comsol Multiphysics Software: The Case of Pressure Sensor

NASA Astrophysics Data System (ADS)

Ahmad, A. A.; Alsaad, A.; Al-Bataineh, Q. M.; Al-Naafa, M. A.

2018-02-01

In this study, Lithium niobate (LiNbO3) and Aluminum nitride (AlN) nanostructures were designed and investigated using the COMSOL Multiphysics software for pressure sensing applications. The Finite Element Method (FEM) was used for solving the differential equations with various parameters such as size, length, force, etc. The variation of the total maximum displacement as a function of applied force for various NWs lengths and the variation of the voltage as a function of applied force were plotted and discussed. AlN nanowires exhibit a better piezoelectric response than LiNbO3 nanowires do.

Laser Heating of the Core-Shell Nanowires

NASA Astrophysics Data System (ADS)

Astefanoaei, Iordana; Dumitru, Ioan; Stancu, Alexandru

2016-12-01

The induced thermal stress in a heating process is an important parameter to be known and controlled in the magnetization process of core-shell nanowires. This paper analyses the stress produced by a laser heating source placed at one end of a core-shell type structure. The thermal field was computed with the non-Fourier heat transport equation using a finite element method (FEM) implemented in Comsol Multiphysics. The internal stresses are essentially due to thermal gradients and different expansion characteristics of core and shell materials. The stress values were computed using the thermo elastic formalism and are depending on the laser beam parameters (spot size, power etc.) and system characteristics (dimensions, thermal characteristics). Stresses in the GPa range were estimated and consequently we find that the magnetic state of the system can be influenced significantly. A shell material as the glass which is a good thermal insulator induces in the magnetic core, the smaller stresses and consequently the smaller magnetoelastic energy. These results lead to a better understanding of the switching process in the magnetic materials.

Multiphysics and Thermal Response Models to Improve Accuracy of Local Temperature Estimation in Rat Cortex under Microwave Exposure

PubMed Central

Kodera, Sachiko; Gomez-Tames, Jose; Hirata, Akimasa; Masuda, Hiroshi; Arima, Takuji; Watanabe, Soichi

2017-01-01

The rapid development of wireless technology has led to widespread concerns regarding adverse human health effects caused by exposure to electromagnetic fields. Temperature elevation in biological bodies is an important factor that can adversely affect health. A thermophysiological model is desired to quantify microwave (MW) induced temperature elevations. In this study, parameters related to thermophysiological responses for MW exposures were estimated using an electromagnetic-thermodynamics simulation technique. To the authors’ knowledge, this is the first study in which parameters related to regional cerebral blood flow in a rat model were extracted at a high degree of accuracy through experimental measurements for localized MW exposure at frequencies exceeding 6 GHz. The findings indicate that the improved modeling parameters yield computed results that match well with the measured quantities during and after exposure in rats. It is expected that the computational model will be helpful in estimating the temperature elevation in the rat brain at multiple observation points (that are difficult to measure simultaneously) and in explaining the physiological changes in the local cortex region. PMID:28358345

CASTING DEFECT MODELING IN AN INTEGRATED COMPUTATIONAL MATERIALS ENGINEERING APPROACH

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

Sabau, Adrian S

2015-01-01

To accelerate the introduction of new cast alloys, the simultaneous modeling and simulation of multiphysical phenomena needs to be considered in the design and optimization of mechanical properties of cast components. The required models related to casting defects, such as microporosity and hot tears, are reviewed. Three aluminum alloys are considered A356, 356 and 319. The data on calculated solidification shrinkage is presented and its effects on microporosity levels discussed. Examples are given for predicting microporosity defects and microstructure distribution for a plate casting. Models to predict fatigue life and yield stress are briefly highlighted here for the sake ofmore » completion and to illustrate how the length scales of the microstructure features as well as porosity defects are taken into account for modeling the mechanical properties. Thus, the data on casting defects, including microstructure features, is crucial for evaluating the final performance-related properties of the component. ACKNOWLEDGEMENTS This work was performed under a Cooperative Research and Development Agreement (CRADA) with the Nemak Inc., and Chrysler Co. for the project "High Performance Cast Aluminum Alloys for Next Generation Passenger Vehicle Engines. The author would also like to thank Amit Shyam for reviewing the paper and Andres Rodriguez of Nemak Inc. Research sponsored by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, as part of the Propulsion Materials Program under contract DE-AC05-00OR22725 with UT-Battelle, LLC. Part of this research was conducted through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program, which is sponsored by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program.« less

MASTODON: A geosciences simulation tool built using the open-source framework MOOSE

NASA Astrophysics Data System (ADS)

Slaughter, A.

2017-12-01

The Department of Energy (DOE) is currently investing millions of dollars annually into various modeling and simulation tools for all aspects of nuclear energy. An important part of this effort includes developing applications based on the open-source Multiphysics Object Oriented Simulation Environment (MOOSE; mooseframework.org) from Idaho National Laboratory (INL).Thanks to the efforts of the DOE and outside collaborators, MOOSE currently contains a large set of physics modules, including phase field, level set, heat conduction, tensor mechanics, Navier-Stokes, fracture (extended finite-element method), and porous media, among others. The tensor mechanics and contact modules, in particular, are well suited for nonlinear geosciences problems. Multi-hazard Analysis for STOchastic time-DOmaiN phenomena (MASTODON; https://seismic-research.inl.gov/SitePages/Mastodon.aspx)--a MOOSE-based application--is capable of analyzing the response of 3D soil-structure systems to external hazards with current development focused on earthquakes. It is capable of simulating seismic events and can perform extensive "source-to-site" simulations including earthquake fault rupture, nonlinear wave propagation, and nonlinear soil-structure interaction analysis. MASTODON also includes a dynamic probabilistic risk assessment capability that enables analysts to not only perform deterministic analyses, but also easily perform probabilistic or stochastic simulations for the purpose of risk assessment. Although MASTODON has been developed for the nuclear industry, it can be used to assess the risk for any structure subjected to earthquakes.The geosciences community can learn from the nuclear industry and harness the enormous effort underway to build simulation tools that are open, modular, and share a common framework. In particular, MOOSE-based multiphysics solvers are inherently parallel, dimension agnostic, adaptive in time and space, fully coupled, and capable of interacting with other applications. The geosciences community could benefit from existing tools by enabling collaboration between researchers and practitioners throughout the world and advance the state-of-the-art in line with other scientific research efforts.

Finite Element Analysis in the Estimation of Air-Gap Torque and Surface Temperature of Induction Machine

NASA Astrophysics Data System (ADS)

Mr., J. Ravi Kumar; Banakara, Basavaraja, Dr.

2017-08-01

This paper presents electromagnetic and thermal behavior of Induction Motor (IM) through the modeling and analysis by applying multiphysics coupled Finite Element Analysis (FEA). Therefore prediction of the magnetic flux, electromagnetic torque, stator and rotor losses and temperature distribution inside an operating electric motor are the most important issues during its design. Prediction and estimation of these parameters allows design engineers to decide capability of the machine for the proposed load, temperature rating and its application for which it is being designed ensuring normal motor operation at rated conditions. In this work, multiphysics coupled electromagnetic - thermal modeling and analysis of induction motor at rated and high frequency has carried out applying Arkkio’s torque method. COMSOL Multiphysics software is used for modeling and finite element analysis of IM. Transient electromagnetic torque, magnetic field distribution, speed-torque characteristics of IM were plotted and studied at different frequencies. This proposed work helps in the design and prediction of accurate performance of induction motor specific to various industrial drive applications. Results obtained are also validated with experimental analysis. The main purpose of this model is to use it as an integral part of the design aiming to system optimization of Variable Speed Drive (VSD) and its components using coupled simulations.

High frequency electromagnetism, heat transfer and fluid flow coupling in ANSYS multiphysics.

PubMed

Sabliov, Cristina M; Salvi, Deepti A; Boldor, Dorin

2007-01-01

The goal of this study was to numerically predict the temperature of a liquid product heated in a continuous-flow focused microwave system by coupling high frequency electromagnetism, heat transfer, and fluid flow in ANSYS Multiphysics. The developed model was used to determine the temperature change in water processed in a 915 MHz microwave unit, under steady-state conditions. The influence of the flow rates on the temperature distribution in the liquid was assessed. Results showed that the average temperature of water increased from 25 degrees C to 34 degrees C at 2 l/min, and to 42 degrees C at 1 l/min. The highest temperature regions were found in the liquid near the center of the tube, followed by progressively lower temperature regions as the radial distance from the center increased, and finally followed by a slightly higher temperature region near the tube's wall corresponding to the energy distribution given by the Mathieu function. The energy distribution resulted in a similar temperature pattern, with the highest temperatures close to the center of the tube and lower at the walls. The presented ANSYS Multiphysics model can be easily improved to account for complex boundary conditions, phase change, temperature dependent properties, and non-Newtonian flows, which makes for an objective of future studies.

Heat Source Characterization In A TREAT Fuel Particle Using Coupled Neutronics Binary Collision Monte-Carlo Calculations

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

Schunert, Sebastian; Schwen, Daniel; Ghassemi, Pedram

This work presents a multi-physics, multi-scale approach to modeling the Transient Test Reactor (TREAT) currently prepared for restart at the Idaho National Laboratory. TREAT fuel is made up of microscopic fuel grains (r ˜ 20µm) dispersed in a graphite matrix. The novelty of this work is in coupling a binary collision Monte-Carlo (BCMC) model to the Finite Element based code Moose for solving a microsopic heat-conduction problem whose driving source is provided by the BCMC model tracking fission fragment energy deposition. This microscopic model is driven by a transient, engineering scale neutronics model coupled to an adiabatic heating model. Themore » macroscopic model provides local power densities and neutron energy spectra to the microscpic model. Currently, no feedback from the microscopic to the macroscopic model is considered. TREAT transient 15 is used to exemplify the capabilities of the multi-physics, multi-scale model, and it is found that the average fuel grain temperature differs from the average graphite temperature by 80 K despite the low-power transient. The large temperature difference has strong implications on the Doppler feedback a potential LEU TREAT core would see, and it underpins the need for multi-physics, multi-scale modeling of a TREAT LEU core.« less

Multi-component ensembles of future meteorological and natural snow conditions for 1500 m altitude in the Chartreuse mountain range, Northern French Alps

NASA Astrophysics Data System (ADS)

Verfaillie, Deborah; Lafaysse, Matthieu; Déqué, Michel; Eckert, Nicolas; Lejeune, Yves; Morin, Samuel

2018-04-01

This article investigates the climatic response of a series of indicators for characterizing annual snow conditions and corresponding meteorological drivers at 1500 m altitude in the Chartreuse mountain range in the Northern French Alps. Past and future changes were computed based on reanalysis and observations from 1958 to 2016, and using CMIP5-EURO-CORDEX GCM-RCM pairs spanning historical (1950-2005) and RCP2.6 (4), RCP4.5 and RCP8.5 (13 each) future scenarios (2006-2100). The adjusted climate model runs were used to drive the multiphysics ensemble configuration of the detailed snowpack model Crocus. Uncertainty arising from physical modeling of snow accounts for 20 % typically, although the multiphysics is likely to have a much smaller impact on trends. Ensembles of climate projections are rather similar until the middle of the 21st century, and all show a continuation of the ongoing reduction in average snow conditions, and sustained interannual variability. The impact of the RCPs becomes significant for the second half of the 21st century, with overall stable conditions with RCP2.6, and continued degradation of snow conditions for RCP4.5 and 8.5, the latter leading to more frequent ephemeral snow conditions. Changes in local meteorological and snow conditions show significant correlation with global temperature changes. Global temperature levels 1.5 and 2 °C above preindustrial levels correspond to a 25 and 32 % reduction, respectively, of winter mean snow depth with respect to the reference period 1986-2005. Larger reduction rates are expected for global temperature levels exceeding 2 °C. The method can address other geographical areas and sectorial indicators, in the field of water resources, mountain tourism or natural hazards.

Analytical study and numerical solution of the inverse source problem arising in thermoacoustic tomography

NASA Astrophysics Data System (ADS)

Holman, Benjamin R.

In recent years, revolutionary "hybrid" or "multi-physics" methods of medical imaging have emerged. By combining two or three different types of waves these methods overcome limitations of classical tomography techniques and deliver otherwise unavailable, potentially life-saving diagnostic information. Thermoacoustic (and photoacoustic) tomography is the most developed multi-physics imaging modality. Thermo- and photo- acoustic tomography require reconstructing initial acoustic pressure in a body from time series of pressure measured on a surface surrounding the body. For the classical case of free space wave propagation, various reconstruction techniques are well known. However, some novel measurement schemes place the object of interest between reflecting walls that form a de facto resonant cavity. In this case, known methods cannot be used. In chapter 2 we present a fast iterative reconstruction algorithm for measurements made at the walls of a rectangular reverberant cavity with a constant speed of sound. We prove the convergence of the iterations under a certain sufficient condition, and demonstrate the effectiveness and efficiency of the algorithm in numerical simulations. In chapter 3 we consider the more general problem of an arbitrarily shaped resonant cavity with a non constant speed of sound and present the gradual time reversal method for computing solutions to the inverse source problem. It consists in solving back in time on the interval [0, T] the initial/boundary value problem for the wave equation, with the Dirichlet boundary data multiplied by a smooth cutoff function. If T is sufficiently large one obtains a good approximation to the initial pressure; in the limit of large T such an approximation converges (under certain conditions) to the exact solution.

Modelling transport phenomena in a multi-physics context

NASA Astrophysics Data System (ADS)

Marra, Francesco

2015-01-01

Innovative heating research on cooking, pasteurization/sterilization, defrosting, thawing and drying, often focuses on areas which include the assessment of processing time, evaluation of heating uniformity, studying the impact on quality attributes of the final product as well as considering the energy efficiency of these heating processes. During the last twenty years, so-called electro-heating-processes (radio-frequency - RF, microwaves - MW and ohmic - OH) gained a wide interest in industrial food processing and many applications using the above mentioned technologies have been developed with the aim of reducing processing time, improving process efficiency and, in many cases, the heating uniformity. In the area of innovative heating, electro-heating accounts for a considerable portion of both the scientific literature and commercial applications, which can be subdivided into either direct electro-heating (as in the case of OH heating) where electrical current is applied directly to the food or indirect electro-heating (e.g. MW and RF heating) where the electrical energy is firstly converted to electromagnetic radiation which subsequently generates heat within a product. New software packages, which make easier solution of PDEs based mathematical models, and new computers, capable of larger RAM and more efficient CPU performances, allowed an increasing interest about modelling transport phenomena in systems and processes - as the ones encountered in food processing - that can be complex in terms of geometry, composition, boundary conditions but also - as in the case of electro-heating assisted applications - in terms of interaction with other physical phenomena such as displacement of electric or magnetic field. This paper deals with the description of approaches used in modelling transport phenomena in a multi-physics context such as RF, MW and OH assisted heating.

Modelling transport phenomena in a multi-physics context

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

Marra, Francesco

2015-01-22

Innovative heating research on cooking, pasteurization/sterilization, defrosting, thawing and drying, often focuses on areas which include the assessment of processing time, evaluation of heating uniformity, studying the impact on quality attributes of the final product as well as considering the energy efficiency of these heating processes. During the last twenty years, so-called electro-heating-processes (radio-frequency - RF, microwaves - MW and ohmic - OH) gained a wide interest in industrial food processing and many applications using the above mentioned technologies have been developed with the aim of reducing processing time, improving process efficiency and, in many cases, the heating uniformity. Inmore » the area of innovative heating, electro-heating accounts for a considerable portion of both the scientific literature and commercial applications, which can be subdivided into either direct electro-heating (as in the case of OH heating) where electrical current is applied directly to the food or indirect electro-heating (e.g. MW and RF heating) where the electrical energy is firstly converted to electromagnetic radiation which subsequently generates heat within a product. New software packages, which make easier solution of PDEs based mathematical models, and new computers, capable of larger RAM and more efficient CPU performances, allowed an increasing interest about modelling transport phenomena in systems and processes - as the ones encountered in food processing - that can be complex in terms of geometry, composition, boundary conditions but also - as in the case of electro-heating assisted applications - in terms of interaction with other physical phenomena such as displacement of electric or magnetic field. This paper deals with the description of approaches used in modelling transport phenomena in a multi-physics context such as RF, MW and OH assisted heating.« less

Towards a multi-physics modelling framework for thrombolysis under the influence of blood flow.

PubMed

Piebalgs, Andris; Xu, X Yun

2015-12-06

Thrombolytic therapy is an effective means of treating thromboembolic diseases but can also give rise to life-threatening side effects. The infusion of a high drug concentration can provoke internal bleeding while an insufficient dose can lead to artery reocclusion. It is hoped that mathematical modelling of the process of clot lysis can lead to a better understanding and improvement of thrombolytic therapy. To this end, a multi-physics continuum model has been developed to simulate the dissolution of clot over time upon the addition of tissue plasminogen activator (tPA). The transport of tPA and other lytic proteins is modelled by a set of reaction-diffusion-convection equations, while blood flow is described by volume-averaged continuity and momentum equations. The clot is modelled as a fibrous porous medium with its properties being determined as a function of the fibrin fibre radius and voidage of the clot. A unique feature of the model is that it is capable of simulating the entire lytic process from the initial phase of lysis of an occlusive thrombus (diffusion-limited transport), the process of recanalization, to post-canalization thrombolysis under the influence of convective blood flow. The model has been used to examine the dissolution of a fully occluding clot in a simplified artery at different pressure drops. Our predicted lytic front velocities during the initial stage of lysis agree well with experimental and computational results reported by others. Following canalization, clot lysis patterns are strongly influenced by local flow patterns, which are symmetric at low pressure drops, but asymmetric at higher pressure drops, which give rise to larger recirculation regions and extended areas of intense drug accumulation. © 2015 The Authors.

Simulation of Amorphous Silicon Anode in Lithium-Ion Batteries

NASA Astrophysics Data System (ADS)

Wang, Miao

The energy density of the current generation of Li-ion batteries (LIBs) is only about 1% of that of gasoline. Improving the energy density of the rechargeable battery is critical for vehicle electrification. Employing high capacity electrode materials is a key factor in this endeavor. Silicon (Si) is one of the high capacity anode materials for LIBs. However, Si experiences large volume variation (up to 300%) during battery cycling, which affects the structural integrity of the battery and results in rapid capacity fading. It has been shown that the cycle life of Si anode can be improved significantly through various novel electrode designs. So far, such work is conducted through experiments. Numerical simulations have the potentials for design optimization of LIBs, as demonstrated in multiphysics models for LIBs with graphite anode. This research extends a previously developed microstructure-resolved multiphysics (MRM) battery model to LIBs with a-Si anode. The MRM model considers the electrochemical reactions, Li transport in electrodes and electrolyte, Li insertion induced volume change, mechanical strains and stresses, material property evolution with lithiation, and the chemo-mechanical coupling. The model is solved using finite element package COMSOL Multiphysics. The major challenges in this work are the large deformation of the Si, and the uncertainty in parameters and the coupling relation. To simulate the large deformation of Si, a large strain based formulation for the concentration induced volume expansion was used. The electrolyte was modeled as fluid. A method to simulate the galvanostatic charge/discharge of a finite deformation electrode with moving boundary was developed. Important model parameters were determined one by one by correlating the simulation to appropriate experiments. For example, the Li diffusivity in Si reported in literature varies from 10-13 to 10-19 m2/s. To estimate this parameter, the experiment of two-phase lithiation of a-Si nanospheres in-situ in a transmission electron microscope was simulated. The diffusivity was found at the order of 10-17m2/s for the lithium poor phase in first lithiation and 10-15m2/s for lithium rich phase and in subsequent cycles. The reaction rate constant and the apparent transfer coefficient are determined in a similar way using different experiments. In literature, different forms of chemo-mechanical coupling theories have been proposed for Li diffusion in Si. The coupling relationship and parameters were often derived based on one type of experiment even though the process is highly coupled. In this work, the chemo-mechanical coupling was investigated by simulations of two geometries: a thin film and a sphere. A strong asymmetric rate behavior between lithiation and delithiation has been observed in thin film a-Si anode but not in other geometries. The results reveal that the rate behavior is affected by the geometry and the constraint of the electrode, the chemo-mechanical coupling, and the prior process. A substrate-constrained film has a relatively low surface/volume ratio and a constant surface area. Its lithiation has a great tendency to be hindered by surface limitation. The chemo-mechanical coupling plays an important role in the specific rate behavior of a geometry. Finally, an MRM model was built for a half cell with a-Si nanowalls as anode. The specific and volumetric capacities of the cell as a function of size, length/size ratio, spacing of the nanostructure, and the Li+ concentration in electrolyte were investigated. The results show that the factors reducing the concentration polarization can enhance the maximum achievable SOC of the cell. However, the cell with the highest SOC does not necessarily lead to the highest capacity.

Towards a supported common NEAMS software stack

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

Cormac Garvey

2012-04-01

The NEAMS IPSC's are developing multidimensional, multiphysics, multiscale simulation codes based on first principles that will be capable of predicting all aspects of current and future nuclear reactor systems. These new breeds of simulation codes will include rigorous verification, validation and uncertainty quantification checks to quantify the accuracy and quality of the simulation results. The resulting NEAMS IPSC simulation codes will be an invaluable tool in designing the next generation of Nuclear Reactors and also contribute to a more speedy process in the acquisition of licenses from the NRC for new Reactor designs. Due to the high resolution of themore » models, the complexity of the physics and the added computational resources to quantify the accuracy/quality of the results, the NEAMS IPSC codes will require large HPC resources to carry out the production simulation runs.« less

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

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

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

2014-01-01

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

Joule heating effects on particle immobilization in insulator-based dielectrophoretic devices

PubMed Central

Gallo-Villanueva, Roberto C.; Sano, Michael B.; Lapizco-Encinas, Blanca H.; Davalos, Rafael V.

2014-01-01

In this work, the temperature effects due to Joule heating obtained by application of a DC electric potential were investigated for a microchannel with cylindrical insulating posts employed for insulator based dielectrophoresis (iDEP). The conductivity of the suspending medium, the local electric field, and the gradient of the squared electric field, which directly affect the magnitude of the dielectrophoretic force exerted on particles, were computationally simulated employing COMSOL Multiphysics. It was observed that a temperature gradient is formed along the microchannel which redistributes the conductivity of the suspending medium leading to an increase of the dielectrophoretic force towards the inlet of the channel while decreasing towards the outlet. Experimental results are in good agreement with simulations on the particle trapping zones anticipated. This study demonstrates the importance of considering Joule heating effects when designing iDEP systems. PMID:24002905

Taking a fresh look at boiling heat transfer on the road to improved nuclear economics and efficiency

DOE PAGES

Pointer, William David; Baglietto, Emilio

2016-05-01

Here, in the effort to reinvigorate innovation in the way we design, build, and operate the nuclear power generating stations of today and tomorrow, nothing can be taken for granted. Not even the seemingly familiar physics of boiling water. The Consortium for the Advanced Simulation of Light Water Reactors, or CASL, is focused on the deployment of advanced modeling and simulation capabilities to enable the nuclear industry to reduce uncertainties in the prediction of multi-physics phenomena and continue to improve the performance of today’s Light Water Reactors and their fuel. An important part of the CASL mission is the developmentmore » of a next generation thermal hydraulics simulation capability, integrating the history of engineering models based on experimental experience with the computing technology of the future.« less

Characterizing liquid redistribution in a biphasic vibrating vocal fold using finite element analysis.

PubMed

Kvit, Anton A; Devine, Erin E; Jiang, Jack J; Vamos, Andrew C; Tao, Chao

2015-05-01

Vocal fold tissue is biphasic and consists of a solid extracellular matrix skeleton swelled with interstitial fluid. Interactions between the liquid and solid impact the material properties and stress response of the tissue. The objective of this study was to model the movement of liquid during vocal fold vibration and to estimate the volume of liquid accumulation and stress experienced by the tissue near the anterior-posterior midline, where benign lesions are observed to form. A three-dimensional biphasic finite element model of a single vocal fold was built to solve for the liquid velocity, pore pressure, and von Mises stress during and just after vibration using the commercial finite element software COMSOL Multiphysics (Version 4.3a, 2013, Structural Mechanics and Subsurface Flow Modules). Vibration was induced by applying direct load pressures to the subglottal and intraglottal surfaces. Pressure ranges, frequency, and material parameters were chosen based on those reported in the literature. Postprocessing included liquid velocity, pore pressure, and von Mises stress calculations as well as the frequency-stress and amplitude-stress relationships. Resulting time-averaged velocity vectors during vibration indicated liquid movement toward the midline of the fold, as well as upward movement in the inferior-superior direction. Pore pressure and von Misses stresses were higher in this region just after vibration. A linear relationship was found between the amplitude and pore pressure, whereas a nonlinear relationship was found between the frequency and pore pressure. Although this study had certain computational simplifications, it is the first biphasic finite element model to use a realistic geometry and demonstrate the ability to characterize liquid movement due to vibration. Results indicate that there is a significant amount of liquid that accumulates at the midline; however, the role of this accumulation still requires investigation. Further investigation of these mechanical factors may lend insight into the mechanism of benign lesion formation. Copyright © 2015 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

Characterizing liquid redistribution in a biphasic vibrating vocal fold using finite element analysis

PubMed Central

Kvit, Anton A.; Devine, Erin E.; Vamos, Andrew C.; Tao, Chao; Jiang, Jack J.

2015-01-01

OBJECTIVE Vocal fold tissue is biphasic and consists of a solid extracellular matric skeleton swelled with interstitial fluid. Interactions between the liquid and solid impact the material properties and stress response of the tissue. The objective of this study was to model the movement of liquid during vocal fold vibration and estimate the volume of liquid accumulation and stress experienced by the tissue near the anterior-posterior midline, where benign lesions are observed to form. METHODS A three-dimensional biphasic finite element model of a single vocal fold was built to solve for the liquid velocity, pore pressure, and von Mises stress during and just after vibration using the commercial finite element software COMSOL Multiphysics (Version 4.3a, 2013, Structural Mechanics and Subsurface Flow Modules). Vibration was induced by applying direct-load pressures to the subglottal and intraglottal surfaces. Pressure ranges, frequency and material parameters were chosen based on those reported in the literature. Post-processing included liquid velocity, pore pressure and von Mises stress calculations, as well as the frequency-stress and amplitude-stress relationships. RESULTS Resulting time-averaged velocity vectors during vibration indicated liquid movement towards the midline of the fold, as upwards movement in the inferior-superior direction. Pore pressure and von Misses stresses were higher in this region just following vibration. A linear relationship was found between the amplitude and pore pressure, while a nonlinear relationship was found between the frequency and pore pressure. CONCLUSIONS While this study had certain computational simplifications, it is the first biphasic finite element model to employ a realistic geometry and demonstrated the ability to characterize liquid movement due to vibration. Results indicate that there is a significant amount of liquid that accumulates at the midline, however the role of this accumulation still requires investigation. Further investigation of these mechanical factors may lend insight into the mechanism of benign lesion formation. PMID:25619469

An alternative low-loss stack topology for vanadium redox flow battery: Comparative assessment

NASA Astrophysics Data System (ADS)

Moro, Federico; Trovò, Andrea; Bortolin, Stefano; Del, Davide, , Col; Guarnieri, Massimo

2017-02-01

Two vanadium redox flow battery topologies have been compared. In the conventional series stack, bipolar plates connect cells electrically in series and hydraulically in parallel. The alternative topology consists of cells connected in parallel inside stacks by means of monopolar plates in order to reduce shunt currents along channels and manifolds. Channelled and flat current collectors interposed between cells were considered in both topologies. In order to compute the stack losses, an equivalent circuit model of a VRFB cell was built from a 2D FEM multiphysics numerical model based on Comsol®, accounting for coupled electrical, electrochemical, and charge and mass transport phenomena. Shunt currents were computed inside the cells with 3D FEM models and in the piping and manifolds by means of equivalent circuits solved with Matlab®. Hydraulic losses were computed with analytical models in piping and manifolds and with 3D numerical analyses based on ANSYS Fluent® in the cell porous electrodes. Total losses in the alternative topology resulted one order of magnitude lower than in an equivalent conventional battery. The alternative topology with channelled current collectors exhibits the lowest shunt currents and hydraulic losses, with round-trip efficiency higher by about 10%, as compared to the conventional topology.

A Multi-Scale, Multi-Physics Optimization Framework for Additively Manufactured Structural Components

NASA Astrophysics Data System (ADS)

El-Wardany, Tahany; Lynch, Mathew; Gu, Wenjiong; Hsu, Arthur; Klecka, Michael; Nardi, Aaron; Viens, Daniel

This paper proposes an optimization framework enabling the integration of multi-scale / multi-physics simulation codes to perform structural optimization design for additively manufactured components. Cold spray was selected as the additive manufacturing (AM) process and its constraints were identified and included in the optimization scheme. The developed framework first utilizes topology optimization to maximize stiffness for conceptual design. The subsequent step applies shape optimization to refine the design for stress-life fatigue. The component weight was reduced by 20% while stresses were reduced by 75% and the rigidity was improved by 37%. The framework and analysis codes were implemented using Altair software as well as an in-house loading code. The optimized design was subsequently produced by the cold spray process.

Numerical modeling of continuous flow microwave heating: a critical comparison of COMSOL and ANSYS.

PubMed

Salvi, D; Boldor, Dorin; Ortego, J; Aita, G M; Sabliov, C M

2010-01-01

Numerical models were developed to simulate temperature profiles in Newtonian fluids during continuous flow microwave heating by one way coupling electromagnetism, fluid flow, and heat transport in ANSYS 8.0 and COMSOL Multiphysics v3.4. Comparison of the results from the COMSOL model with the results from a pre-developed and validated ANSYS model ensured accuracy of the COMSOL model. Prediction of power Loss by both models was in close agreement (5-13% variation) and the predicted temperature profiles were similar. COMSOL provided a flexible model setup whereas ANSYS required coupling incompatible elements to transfer load between electromagnetic, fluid flow, and heat transport modules. Overall, both software packages provided the ability to solve multiphysics phenomena accurately.

Speckle metrology in the nanoworld, as it is perceived today, and how it may affect industry

NASA Astrophysics Data System (ADS)

Pryputniewicz, Ryszard J.

2010-09-01

My memory goes back to my early collage studies that were almost entirely on the scale of "macroworld", as we practiced/perceived it some four decades ago. Since that time things have changed a lot constantly decreasing the scales of interest, at times at rather rapid pace, with monumental advances leading to the scales we work with today and plan for tomorrow. During that change/transition there were "meso" and "micro" developments characterized by changes in scales/sizes of things of interest. Today's scale of interest is "nano" and we are already not only working with "picotechnology", but are even reaching beyond while constantly "planning and projecting" the scales/worlds of the future. Advancement of any technology, especially new emerging ones as we witness/experience them today, is facilitated by the use of all available solution strategies. One of the emerging strategies that affect almost anything currently being developed and/or used, in the today's nanoworld, is based on recent advances of microelectromechanical systems (MEMS). Today MEMS affect almost everything we do from household appliances, via cars we drive and planes that whisk us from continent to continent, to spaceships used for search of/and exploration of other worlds. The modern microsensors are also used to explore for and produce petroleum products that are used in multitude of today's applications. To facilitate these advances a great majority of MEMS is used in the form of sensors. However development of MEMS in general and sensors in particular poses one of the greatest challenges in today's experimental mechanics. Among MEMS, the greatest contemporary interest is in the area of inertial sensors because they have numerous uses ranging from everyday applications to highly specialized ones, including many industrial platforms. As such they have tremendous potential to affect future of humanity. However, advances in MEMS, such as pressure and temperature sensors as well as gyroscopes and accelerometers, require the use of computational modeling and simulation coupled/combined with physical measurements. This author believes that successful combination of computer aided design (CAD) and multiphysics as well as multiscale simulation tools with the state-of-the-art (SOTA) measurement methodology will contribute to reduction of high prototyping costs, long product development cycles, and time-tomarket pressures while developing new sensors with nanoscale characteristics for various applications we use now and those that we will need in the future. In our approach we combine/hybridize a unique, fully integrated, software environment for multiscale, multiphysics, high fidelity analysis of the contemporary sensors with the SOTA optoelectronic laser interferometric microscope (OELIM) methodology, which is based on recent developments in speckle. The speckle-based OELIM methodology allows remote, noninvasive, full-field-of-view (FFV) measurements of deformations with high spatial resolution, nanometer accuracy, and in near real-time. In this paper, both, the software environment and the OELIM methodology are described and their applications are illustrated with representative examples demonstrating viability of the completely autonomous computer-based procedures for the development of contemporary sensors with nanocharacteristics suitable for the advancement of new evolving technologies that will shape our future. This process is demonstrated using devices of contemporary interest. The preliminary examples demonstrate capability of our approach to quantitatively determine effects of static and dynamic loads on the performance of sensors. In addition, potential economic rewards of the technology, projected into near future, will also be discussed.

An Efficient Modelling Approach for Prediction of Porosity Severity in Composite Structures

NASA Technical Reports Server (NTRS)

Bedayat, Houman; Forghani, Alireza; Hickmott, Curtis; Roy, Martin; Palmieri, Frank; Grimsley, Brian; Coxon, Brian; Fernlund, Goran

2017-01-01

Porosity, as a manufacturing process-induced defect, highly affects the mechanical properties of cured composites. Multiple phenomena affect the formation of porosity during the cure process. Porosity sources include entrapped air, volatiles and off-gassing as well as bag and tool leaks. Porosity sinks are the mechanisms that contribute to reducing porosity, including gas transport, void shrinkage and collapse as well as resin flow into void space. Despite the significant progress in porosity research, the fundamentals of porosity in composites are not yet fully understood. The highly coupled multi-physics and multi-scale nature of porosity make it a complicated problem to predict. Experimental evidence shows that resin pressure history throughout the cure cycle plays an important role in the porosity of the cured part. Maintaining high resin pressure results in void shrinkage and collapse keeps volatiles in solution thus preventing off-gassing and bubble formation. This study summarizes the latest development of an efficient FE modeling framework to simulate the gas and resin transport mechanisms that are among the major phenomena contributing to porosity.

On the origin of the driving force in the Marangoni propelled gas bubble trapping mechanism.

PubMed

Miniewicz, A; Quintard, C; Orlikowska, H; Bartkiewicz, S

2017-07-19

Gas bubbles can be trapped and then manipulated with laser light. In this report, we propose the detailed optical trapping mechanism of gas bubbles confined inside a thin light-absorbing liquid layer between two glass plates. The necessary condition of bubble trapping in this case is the direct absorption of light by the solution containing a dye. Due to heat release, fluid whirls propelled by the surface Marangoni effect at the liquid/gas interface emerge and extend to large distances. We report the experimental microscopic observation of the origin of whirls at an initially flat liquid/air interface as well as at the curved interface of a liquid/gas bubble and support this finding with advanced numerical simulations using the finite element method within the COMSOL Multiphysics platform. The simulation results were in good agreement with the observations, which allowed us to propose a simple physical model for this particular trapping mechanism, to establish the origin of forces attracting bubbles toward a laser beam and to predict other phenomena related to this effect.

Impact of Representing Model Error in a Hybrid Ensemble-Variational Data Assimilation System for Track Forecast of Tropical Cyclones over the Bay of Bengal

NASA Astrophysics Data System (ADS)

Kutty, Govindan; Muraleedharan, Rohit; Kesarkar, Amit P.

2018-03-01

Uncertainties in the numerical weather prediction models are generally not well-represented in ensemble-based data assimilation (DA) systems. The performance of an ensemble-based DA system becomes suboptimal, if the sources of error are undersampled in the forecast system. The present study examines the effect of accounting for model error treatments in the hybrid ensemble transform Kalman filter—three-dimensional variational (3DVAR) DA system (hybrid) in the track forecast of two tropical cyclones viz. Hudhud and Thane, formed over the Bay of Bengal, using Advanced Research Weather Research and Forecasting (ARW-WRF) model. We investigated the effect of two types of model error treatment schemes and their combination on the hybrid DA system; (i) multiphysics approach, which uses different combination of cumulus, microphysics and planetary boundary layer schemes, (ii) stochastic kinetic energy backscatter (SKEB) scheme, which perturbs the horizontal wind and potential temperature tendencies, (iii) a combination of both multiphysics and SKEB scheme. Substantial improvements are noticed in the track positions of both the cyclones, when flow-dependent ensemble covariance is used in 3DVAR framework. Explicit model error representation is found to be beneficial in treating the underdispersive ensembles. Among the model error schemes used in this study, a combination of multiphysics and SKEB schemes has outperformed the other two schemes with improved track forecast for both the tropical cyclones.

Multiphysics Simulation of Low-Amplitude Acoustic Wave Detection by Piezoelectric Wafer Active Sensors Validated by In-Situ AE-Fatigue Experiment

PubMed Central

Giurgiutiu, Victor

2017-01-01

Piezoelectric wafer active sensors (PWAS) are commonly used for detecting Lamb waves for structural health monitoring application. However, in most applications of active sensing, the signals are of high-amplitude and easy to detect. In this article, we have shown a new avenue of using the PWAS transducer for detecting the low-amplitude fatigue-crack related acoustic emission (AE) signals. Multiphysics finite element (FE) simulations were performed with two PWAS transducers bonded to the structure. Various configurations of the sensors were studied by using the simulations. One PWAS was placed near to the fatigue-crack and the other one was placed at a certain distance from the crack. The simulated AE event was generated at the crack tip. The simulation results showed that both PWAS transducers were capable of sensing the AE signals. To validate the multiphysics simulation results, an in-situ AE-fatigue experiment was performed. Two PWAS transducers were bonded to the thin aerospace test coupon. The fatigue crack was generated in the test coupon which had produced low-amplitude acoustic waves. The low-amplitude fatigue-crack related AE signals were successfully captured by the PWAS transducers. The distance effect on the captured AE signals was also studied. It has been shown that some high-frequency contents of the AE signal have developed as they travel away from the crack. PMID:28817081

Microstructural Analysis and Transport Resistances of Low-Platinum-Loaded PEFC Electrodes

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

Cetinbas, Firat C.; Wang, Xiaohua; Ahluwalia, Rajesh K.

In this study, we present microstructural characterization for polymer electrolyte fuel cell (PEFC) cathodes with low platinum loadings (low-PGM). The characterization results are used to quantify the contribution of mass transport resistances to cell voltage losses observed in polarization curve data. Three-dimensional pore morphology and ionomer distribution are resolved using nano-scale X-ray computed tomography (nano-CT). Electrode structural properties are reported along with analysis of the impact of microstructure on the effective charge and reactant transport properties. These characterizations are incorporated with a two-dimensional multi-physics model that accounts for energy, charge, and mass transport along with the effect of liquid watermore » flooding. Defining a total mass transport resistance for the whole polarization curve, contributions of transport mechanisms are identified. Analysis of the experimental polarization curves at different operating pressures and temperatures indicates that the mass transport resistance in the cathode is dominated by the transport processes in the electrode. It is shown that flooding in the electrode is a major contributor to transport losses especially at elevated operating pressures while the pressure-independent resistance at the catalyst surface due to transport through the ionomer film plays a significant role, especially at low temperatures and low catalyst loading. In addition, by performing a parametric study for varying catalyst loadings, the importance of electrode roughness (i.e, electrochemically-active surface area/geometric electrode area) in determining the mass transport losses is highlighted.« less

Microstructural Analysis and Transport Resistances of Low-Platinum-Loaded PEFC Electrodes

DOE PAGES

Cetinbas, Firat C.; Wang, Xiaohua; Ahluwalia, Rajesh K.; ...

2017-12-09

In this study, we present microstructural characterization for polymer electrolyte fuel cell (PEFC) cathodes with low platinum loadings (low-PGM). The characterization results are used to quantify the contribution of mass transport resistances to cell voltage losses observed in polarization curve data. Three-dimensional pore morphology and ionomer distribution are resolved using nano-scale X-ray computed tomography (nano-CT). Electrode structural properties are reported along with analysis of the impact of microstructure on the effective charge and reactant transport properties. These characterizations are incorporated with a two-dimensional multi-physics model that accounts for energy, charge, and mass transport along with the effect of liquid watermore » flooding. Defining a total mass transport resistance for the whole polarization curve, contributions of transport mechanisms are identified. Analysis of the experimental polarization curves at different operating pressures and temperatures indicates that the mass transport resistance in the cathode is dominated by the transport processes in the electrode. It is shown that flooding in the electrode is a major contributor to transport losses especially at elevated operating pressures while the pressure-independent resistance at the catalyst surface due to transport through the ionomer film plays a significant role, especially at low temperatures and low catalyst loading. In addition, by performing a parametric study for varying catalyst loadings, the importance of electrode roughness (i.e, electrochemically-active surface area/geometric electrode area) in determining the mass transport losses is highlighted.« less

Managing complexity in simulations of land surface and near-surface processes

DOE PAGES

Coon, Ethan T.; Moulton, J. David; Painter, Scott L.

2016-01-12

Increasing computing power and the growing role of simulation in Earth systems science have led to an increase in the number and complexity of processes in modern simulators. We present a multiphysics framework that specifies interfaces for coupled processes and automates weak and strong coupling strategies to manage this complexity. Process management is enabled by viewing the system of equations as a tree, where individual equations are associated with leaf nodes and coupling strategies with internal nodes. A dynamically generated dependency graph connects a variable to its dependencies, streamlining and automating model evaluation, easing model development, and ensuring models aremore » modular and flexible. Additionally, the dependency graph is used to ensure that data requirements are consistent between all processes in a given simulation. Here we discuss the design and implementation of these concepts within the Arcos framework, and demonstrate their use for verification testing and hypothesis evaluation in numerical experiments.« less

Guided self-assembly of magnetic beads for biomedical applications

NASA Astrophysics Data System (ADS)

Gusenbauer, Markus; Nguyen, Ha; Reichel, Franz; Exl, Lukas; Bance, Simon; Fischbacher, Johann; Özelt, Harald; Kovacs, Alexander; Brandl, Martin; Schrefl, Thomas

2014-02-01

Micromagnetic beads are widely used in biomedical applications for cell separation, drug delivery, and hyperthermia cancer treatment. Here we propose to use self-organized magnetic bead structures which accumulate on fixed magnetic seeding points to isolate circulating tumor cells. The analysis of circulating tumor cells is an emerging tool for cancer biology research and clinical cancer management including the detection, diagnosis and monitoring of cancer. Microfluidic chips for isolating circulating tumor cells use either affinity, size or density capturing methods. We combine multiphysics simulation techniques to understand the microscopic behavior of magnetic beads interacting with soft magnetic accumulation points used in lab-on-chip technologies. Our proposed chip technology offers the possibility to combine affinity and size capturing with special antibody-coated bead arrangements using a magnetic gradient field created by Neodymium Iron Boron permanent magnets. The multiscale simulation environment combines magnetic field computation, fluid dynamics and discrete particle dynamics.

CAPRI (Computational Analysis PRogramming Interface): A Solid Modeling Based Infra-Structure for Engineering Analysis and Design Simulations

NASA Technical Reports Server (NTRS)

Haimes, Robert; Follen, Gregory J.

1998-01-01

CAPRI is a CAD-vendor neutral application programming interface designed for the construction of analysis and design systems. By allowing access to the geometry from within all modules (grid generators, solvers and post-processors) such tasks as meshing on the actual surfaces, node enrichment by solvers and defining which mesh faces are boundaries (for the solver and visualization system) become simpler. The overall reliance on file 'standards' is minimized. This 'Geometry Centric' approach makes multi-physics (multi-disciplinary) analysis codes much easier to build. By using the shared (coupled) surface as the foundation, CAPRI provides a single call to interpolate grid-node based data from the surface discretization in one volume to another. Finally, design systems are possible where the results can be brought back into the CAD system (and therefore manufactured) because all geometry construction and modification are performed using the CAD system's geometry kernel.

RELAP-7 Software Verification and Validation Plan

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

Smith, Curtis L.; Choi, Yong-Joon; Zou, Ling

This INL plan comprehensively describes the software for RELAP-7 and documents the software, interface, and software design requirements for the application. The plan also describes the testing-based software verification and validation (SV&V) process—a set of specially designed software models used to test RELAP-7. The RELAP-7 (Reactor Excursion and Leak Analysis Program) code is a nuclear reactor system safety analysis code being developed at Idaho National Laboratory (INL). The code is based on the INL’s modern scientific software development framework – MOOSE (Multi-Physics Object-Oriented Simulation Environment). The overall design goal of RELAP-7 is to take advantage of the previous thirty yearsmore » of advancements in computer architecture, software design, numerical integration methods, and physical models. The end result will be a reactor systems analysis capability that retains and improves upon RELAP5’s capability and extends the analysis capability for all reactor system simulation scenarios.« less

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

PubMed

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

2014-08-06

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

High-fidelity plasma codes for burn physics

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

Cooley, James; Graziani, Frank; Marinak, Marty

Accurate predictions of equation of state (EOS), ionic and electronic transport properties are of critical importance for high-energy-density plasma science. Transport coefficients inform radiation-hydrodynamic codes and impact diagnostic interpretation, which in turn impacts our understanding of the development of instabilities, the overall energy balance of burning plasmas, and the efficacy of self-heating from charged-particle stopping. Important processes include thermal and electrical conduction, electron-ion coupling, inter-diffusion, ion viscosity, and charged particle stopping. However, uncertainties in these coefficients are not well established. Fundamental plasma science codes, also called high-fidelity plasma codes, are a relatively recent computational tool that augments both experimental datamore » and theoretical foundations of transport coefficients. This paper addresses the current status of HFPC codes and their future development, and the potential impact they play in improving the predictive capability of the multi-physics hydrodynamic codes used in HED design.« less

Validating a Model for Welding Induced Residual Stress Using High-Energy X-ray Diffraction

NASA Astrophysics Data System (ADS)

Mach, J. C.; Budrow, C. J.; Pagan, D. C.; Ruff, J. P. C.; Park, J.-S.; Okasinski, J.; Beaudoin, A. J.; Miller, M. P.

2017-05-01

Integrated computational materials engineering (ICME) provides a pathway to advance performance in structures through the use of physically-based models to better understand how manufacturing processes influence product performance. As one particular challenge, consider that residual stresses induced in fabrication are pervasive and directly impact the life of structures. For ICME to be an effective strategy, it is essential that predictive capability be developed in conjunction with critical experiments. In the present work, simulation results from a multi-physics model for gas metal arc welding are evaluated through x-ray diffraction using synchrotron radiation. A test component was designed with intent to develop significant gradients in residual stress, be representative of real-world engineering application, yet remain tractable for finely spaced strain measurements with positioning equipment available at synchrotron facilities. The experimental validation lends confidence to model predictions, facilitating the explicit consideration of residual stress distribution in prediction of fatigue life.

Joule heating effects on particle immobilization in insulator-based dielectrophoretic devices.

PubMed

Gallo-Villanueva, Roberto C; Sano, Michael B; Lapizco-Encinas, Blanca H; Davalos, Rafael V

2014-02-01

In this work, the temperature effects due to Joule heating obtained by application of a direct current electric potential were investigated for a microchannel with cylindrical insulating posts employed for insulator-based dielectrophoresis. The conductivity of the suspending medium, the local electric field, and the gradient of the squared electric field, which directly affect the magnitude of the dielectrophoretic force exerted on particles, were computationally simulated employing COMSOL Multiphysics. It was observed that a temperature gradient is formed along the microchannel, which redistributes the conductivity of the suspending medium leading to an increase of the dielectrophoretic force toward the inlet of the channel while decreasing toward the outlet. Experimental results are in good agreement with simulations on the particle-trapping zones anticipated. This study demonstrates the importance of considering Joule heating effects when designing insulator-based dielectrophoresis systems. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Computational analysis of species transport and electrochemical characteristics of a MOLB-type SOFC

NASA Astrophysics Data System (ADS)

Hwang, J. J.; Chen, C. K.; Lai, D. Y.

A multi-physics model coupling electrochemical kinetics with fluid dynamics has been developed to simulate the transport phenomena in mono-block-layer built (MOLB) solid oxide fuel cells (SOFC). A typical MOLB module is composed of trapezoidal flow channels, corrugated positive electrode-electrolyte-negative electrode (PEN) plates, and planar inter-connecters. The control volume-based finite difference method is employed for calculation, which is based on the conservation of mass, momentum, energy, species, and electric charge. In the porous electrodes, the flow momentum is governed by a Darcy model with constant porosity and permeability. The diffusion of reactants follows the Bruggman model. The chemistry within the plates is described via surface reactions with a fixed surface-to-volume ratio, tortuosity and average pore size. Species transports as well as the local variations of electrochemical characteristics, such as overpotential and current density distributions in the electrodes of an MOLB SOFC, are discussed in detail.

Numerical simulation of electron beam welding with beam oscillations

NASA Astrophysics Data System (ADS)

Trushnikov, D. N.; Permyakov, G. L.

2017-02-01

This research examines the process of electron-beam welding in a keyhole mode with the use of beam oscillations. We study the impact of various beam oscillations and their parameters on the shape of the keyhole, the flow of heat and mass transfer processes and weld parameters to develop methodological recommendations. A numerical three-dimensional mathematical model of electron beam welding is presented. The model was developed on the basis of a heat conduction equation and a Navier-Stokes equation taking into account phase transitions at the interface of a solid and liquid phase and thermocapillary convection (Marangoni effect). The shape of the keyhole is determined based on experimental data on the parameters of the secondary signal by using the method of a synchronous accumulation. Calculations of thermal and hydrodynamic processes were carried out based on a computer cluster, using a simulation package COMSOL Multiphysics.

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

PubMed Central

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

2014-01-01

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

GENASIS Mathematics : Object-oriented manifolds, operations, and solvers for large-scale physics simulations

NASA Astrophysics Data System (ADS)

Cardall, Christian Y.; Budiardja, Reuben D.

2018-01-01

The large-scale computer simulation of a system of physical fields governed by partial differential equations requires some means of approximating the mathematical limit of continuity. For example, conservation laws are often treated with a 'finite-volume' approach in which space is partitioned into a large number of small 'cells,' with fluxes through cell faces providing an intuitive discretization modeled on the mathematical definition of the divergence operator. Here we describe and make available Fortran 2003 classes furnishing extensible object-oriented implementations of simple meshes and the evolution of generic conserved currents thereon, along with individual 'unit test' programs and larger example problems demonstrating their use. These classes inaugurate the Mathematics division of our developing astrophysics simulation code GENASIS (Gen eral A strophysical Si mulation S ystem), which will be expanded over time to include additional meshing options, mathematical operations, solver types, and solver variations appropriate for many multiphysics applications.

FY17 Status Report on NEAMS Neutronics Activities

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

Lee, C. H.; Jung, Y. S.; Smith, M. A.

2017-09-30

Under the U.S. DOE NEAMS program, the high-fidelity neutronics code system has been developed to support the multiphysics modeling and simulation capability named SHARP. The neutronics code system includes the high-fidelity neutronics code PROTEUS, the cross section library and preprocessing tools, the multigroup cross section generation code MC2-3, the in-house meshing generation tool, the perturbation and sensitivity analysis code PERSENT, and post-processing tools. The main objectives of the NEAMS neutronics activities in FY17 are to continue development of an advanced nodal solver in PROTEUS for use in nuclear reactor design and analysis projects, implement a simplified sub-channel based thermal-hydraulic (T/H)more » capability into PROTEUS to efficiently compute the thermal feedback, improve the performance of PROTEUS-MOCEX using numerical acceleration and code optimization, improve the cross section generation tools including MC2-3, and continue to perform verification and validation tests for PROTEUS.« less

A Virtual Laboratory for the 4 Bed Molecular Sieve of the Carbon Dioxide Removal Assembly

NASA Technical Reports Server (NTRS)

Coker, Robert; Knox, James; O'Connor, Brian

2016-01-01

Ongoing work to improve water and carbon dioxide separation systems to be used on crewed space vehicles combines sub-scale systems testing and multi-physics simulations. Thus, as part of NASA's Advanced Exploration Systems (AES) program and the Life Support Systems Project (LSSP), fully predictive COMSOL Multiphysics models of the Four Bed Molecular Sieve (4BMS) of the Carbon Dioxide Removal Assembly (CDRA) on the International Space Station (ISS) have been developed. This Virtual Laboratory is being used to help reduce mass, power, and volume requirements for exploration missions. In this paper we describe current and planned modeling developments in the area of carbon dioxide removal to support future missions as well as the resolution of anomalies observed in the ISS CDRA.

Modelling in conventional electroporation for model cell with organelles using COMSOL Multiphysics

NASA Astrophysics Data System (ADS)

Sulaeman, M. Y.; Widita, R.

2016-03-01

Conventional electroporation is a formation of pores in the membrane cell due to the external electric field applied to the cell. The purpose of creating pores in the cell using conventional electroporation are to increase the effectiveness of chemotherapy (electrochemotherapy) and to kill cancer tissue using irreversible electroporation. Modeling of electroporation phenomenon on a model cell had been done by using software COMSOL Multiphysics 4.3b with the applied external electric field with intensity at 1.1 kV/cm to find transmembrane voltage and pore density. It can be concluded from the results of potential distribution and transmembrane voltage, it show that pores formation only occurs in the membrane cells and it could not penetrate into inside the model cell so there is not pores formation in its organells.

Evaluation of a transient, simultaneous, arbitrary Lagrange-Euler based multi-physics method for simulating the mitral heart valve.

PubMed

Espino, Daniel M; Shepherd, Duncan E T; Hukins, David W L

2014-01-01

A transient multi-physics model of the mitral heart valve has been developed, which allows simultaneous calculation of fluid flow and structural deformation. A recently developed contact method has been applied to enable simulation of systole (the stage when blood pressure is elevated within the heart to pump blood to the body). The geometry was simplified to represent the mitral valve within the heart walls in two dimensions. Only the mitral valve undergoes deformation. A moving arbitrary Lagrange-Euler mesh is used to allow true fluid-structure interaction (FSI). The FSI model requires blood flow to induce valve closure by inducing strains in the region of 10-20%. Model predictions were found to be consistent with existing literature and will undergo further development.

Experimental and Numerical Investigation on Micro-Bending of AISI 304 Sheet Metal Using a Low Power Nanosecond Laser

NASA Astrophysics Data System (ADS)

Paramasivan, K.; Das, Sandip; Marimuthu, Sundar; Misra, Dipten

2018-06-01

The aim of this experimental study is to identify and characterize the response related to the effects of process parameters in terms of bending angle for micro-bending of AISI 304 sheet using a low power Nd:YVO4 laser source. Numerical simulation is also carried out through a coupled thermo-mechanical formulation with finite element method using COMSOL MULTIPHYSICS. The developed numerical simulation indicates that bending is caused by temperature gradient mechanism in the present investigation involving laser micro-bending. The results of experiment indicate that bending angle increases with laser power, number of irradiations, and decreases with increase in scanning speed. Moreover, average bending angle increases with number of laser passes and edge effect, defined in terms of relative variation of bending angle (RBAV), decreases monotonically with the number of laser scans. The substrate is damaged over a width of about 80 μm due to the high temperatures experienced during laser forming at a low scanning speed.

MODELLING OF FUEL BEHAVIOUR DURING LOSS-OF-COOLANT ACCIDENTS USING THE BISON CODE

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

Pastore, G.; Novascone, S. R.; Williamson, R. L.

2015-09-01

This work presents recent developments to extend the BISON code to enable fuel performance analysis during LOCAs. This newly developed capability accounts for the main physical phenomena involved, as well as the interactions among them and with the global fuel rod thermo-mechanical analysis. Specifically, new multiphysics models are incorporated in the code to describe (1) transient fission gas behaviour, (2) rapid steam-cladding oxidation, (3) Zircaloy solid-solid phase transition, (4) hydrogen generation and transport through the cladding, and (5) Zircaloy high-temperature non-linear mechanical behaviour and failure. Basic model characteristics are described, and a demonstration BISON analysis of a LWR fuel rodmore » undergoing a LOCA accident is presented. Also, as a first step of validation, the code with the new capability is applied to the simulation of experiments investigating cladding behaviour under LOCA conditions. The comparison of the results with the available experimental data of cladding failure due to burst is presented.« less

Deep Learning Fluid Mechanics

NASA Astrophysics Data System (ADS)

Barati Farimani, Amir; Gomes, Joseph; Pande, Vijay

2017-11-01

We have developed a new data-driven model paradigm for the rapid inference and solution of the constitutive equations of fluid mechanic by deep learning models. Using generative adversarial networks (GAN), we train models for the direct generation of solutions to steady state heat conduction and incompressible fluid flow without knowledge of the underlying governing equations. Rather than using artificial neural networks to approximate the solution of the constitutive equations, GANs can directly generate the solutions to these equations conditional upon an arbitrary set of boundary conditions. Both models predict temperature, velocity and pressure fields with great test accuracy (>99.5%). The application of our framework for inferring and generating the solutions of partial differential equations can be applied to any physical phenomena and can be used to learn directly from experiments where the underlying physical model is complex or unknown. We also have shown that our framework can be used to couple multiple physics simultaneously, making it amenable to tackle multi-physics problems.

Assessment of MARMOT. A Mesoscale Fuel Performance Code

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

Tonks, M. R.; Schwen, D.; Zhang, Y.

2015-04-01

MARMOT is the mesoscale fuel performance code under development as part of the US DOE Nuclear Energy Advanced Modeling and Simulation Program. In this report, we provide a high level summary of MARMOT, its capabilities, and its current state of validation. The purpose of MARMOT is to predict the coevolution of microstructure and material properties of nuclear fuel and cladding. It accomplished this using the phase field method coupled to solid mechanics and heat conduction. MARMOT is based on the Multiphysics Object-Oriented Simulation Environment (MOOSE), and much of its basic capability in the areas of the phase field method, mechanics,more » and heat conduction come directly from MOOSE modules. However, additional capability specific to fuel and cladding is available in MARMOT. While some validation of MARMOT has been completed in the areas of fission gas behavior and grain growth, much more validation needs to be conducted. However, new mesoscale data needs to be obtained in order to complete this validation.« less

Safety modelling and testing of lithium-ion batteries in electrified vehicles

NASA Astrophysics Data System (ADS)

Deng, Jie; Bae, Chulheung; Marcicki, James; Masias, Alvaro; Miller, Theodore

2018-04-01

To optimize the safety of batteries, it is important to understand their behaviours when subjected to abuse conditions. Most early efforts in battery safety modelling focused on either one battery cell or a single field of interest such as mechanical or thermal failure. These efforts may not completely reflect the failure of batteries in automotive applications, where various physical processes can take place in a large number of cells simultaneously. In this Perspective, we review modelling and testing approaches for battery safety under abuse conditions. We then propose a general framework for large-scale multi-physics modelling and experimental work to address safety issues of automotive batteries in real-world applications. In particular, we consider modelling coupled mechanical, electrical, electrochemical and thermal behaviours of batteries, and explore strategies to extend simulations to the battery module and pack level. Moreover, we evaluate safety test approaches for an entire range of automotive hardware sets from cell to pack. We also discuss challenges in building this framework and directions for its future development.

Challenge toward the prediction of typhoon behaviour and down pour

NASA Astrophysics Data System (ADS)

Takahashi, K.; Onishi, R.; Baba, Y.; Kida, S.; Matsuda, K.; Goto, K.; Fuchigami, H.

2013-08-01

Mechanisms of interactions among different scale phenomena play important roles for forecasting of weather and climate. Multi-scale Simulator for the Geoenvironment (MSSG), which deals with multi-scale multi-physics phenomena, is a coupled non-hydrostatic atmosphere-ocean model designed to be run efficiently on the Earth Simulator. We present simulation results with the world-highest 1.9km horizontal resolution for the entire globe and regional heavy rain with 1km horizontal resolution and 5m horizontal/vertical resolution for urban area simulation. To gain high performance by exploiting the system capabilities, we propose novel performance evaluation metrics introduced in previous studies that incorporate the effects of the data caching mechanism between CPU and memory. With a useful code optimization guideline based on such metrics, we demonstrate that MSSG can achieve an excellent peak performance ratio of 32.2% on the Earth Simulator with the single-core performance found to be a key to a reduced time-to-solution.

Implicit SPH v. 1.0

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

Kim, Kyungjoo; Parks, Michael L.; Perego, Mauro

2016-11-09

ISPH code is developed to solve multi-physics meso-scale flow problems using implicit SPH method. In particular, the code can provides solutions for incompressible, multi phase flow and electro-kinetic flows.

Proof-of-Concept Demonstrations for Computation-Based Human Reliability Analysis. Modeling Operator Performance During Flooding Scenarios

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

Joe, Jeffrey Clark; Boring, Ronald Laurids; Herberger, Sarah Elizabeth Marie

The United States (U.S.) Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) program has the overall objective to help sustain the existing commercial nuclear power plants (NPPs). To accomplish this program objective, there are multiple LWRS “pathways,” or research and development (R&D) focus areas. One LWRS focus area is called the Risk-Informed Safety Margin and Characterization (RISMC) pathway. Initial efforts under this pathway to combine probabilistic and plant multi-physics models to quantify safety margins and support business decisions also included HRA, but in a somewhat simplified manner. HRA experts at Idaho National Laboratory (INL) have been collaborating with othermore » experts to develop a computational HRA approach, called the Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER), for inclusion into the RISMC framework. The basic premise of this research is to leverage applicable computational techniques, namely simulation and modeling, to develop and then, using RAVEN as a controller, seamlessly integrate virtual operator models (HUNTER) with 1) the dynamic computational MOOSE runtime environment that includes a full-scope plant model, and 2) the RISMC framework PRA models already in use. The HUNTER computational HRA approach is a hybrid approach that leverages past work from cognitive psychology, human performance modeling, and HRA, but it is also a significant departure from existing static and even dynamic HRA methods. This report is divided into five chapters that cover the development of an external flooding event test case and associated statistical modeling considerations.« less

Two-probe versus van der Pauw method in studying the piezoresistivity of single-wall carbon nanotube thin films

NASA Astrophysics Data System (ADS)

Yao, Yanbo; Duan, Xiaoshuang; Luo, Jiangjiang; Liu, Tao

2017-11-01

The use of the van der Pauw (VDP) method for characterizing and evaluating the piezoresistive behavior of carbon nanomaterial enabled piezoresistive sensors have not been systematically studied. By using single-wall carbon nanotube (SWCNT) thin films as a model system, herein we report a coupled electrical-mechanical experimental study in conjunction with a multiphysics finite element simulation as well as an analytic analysis to compare the two-probe and VDP testing configuration in evaluating the piezoresistive behavior of carbon nanomaterial enabled piezoresistive sensors. The key features regarding the sample aspect ratio dependent piezoresistive sensitivity or gauge factor were identified for the VDP testing configuration. It was found that the VDP test configuration offers consistently higher piezoresistive sensitivity than the two-probe testing method.

Impact of Electro-Magneto Concave Collector on the Characterizations of Electrospun Nanofibers

NASA Astrophysics Data System (ADS)

Shehata, Nader; Abdelkader, Mohamed

2018-05-01

We introduce a modified approach to produce aligned nanofibers through electro-magneto concave collectors. Both electric and magnetic fields distributions are simulated with COMSOL Multiphysics for different collectors including conventional, concave and modified concave collectors by adding magnetic discs in the back. Orientation matrices are evaluated for each collector in the study, and the highest degree of alignment is found to be with the modified concave collector with a percentage of 68%, followed by the concave collector with a percentage of 57%, which shows an improvement of the proposed method by adding a magnetic field. The generated nanofiber mats from the electro-magneto concave collector show improvements in both mechanical (Young's modulus = 117.66 MPa) and thermal properties compared to both concave and conventional collectors.

Toward a VPH/Physiome ToolKit.

PubMed

Garny, Alan; Cooper, Jonathan; Hunter, Peter J

2010-01-01

The Physiome Project was officially launched in 1997 and has since brought together teams from around the world to work on the development of a computational framework for the modeling of the human body. At the European level, this effort is focused around patient-specific solutions and is known as the Virtual Physiological Human (VPH) Initiative.Such modeling is both multiscale (in space and time) and multiphysics. This, therefore, requires careful interaction and collaboration between the teams involved in the VPH/Physiome effort, if we are to produce computer models that are not only quantitative, but also integrative and predictive.In that context, several technologies and solutions are already available, developed both by groups involved in the VPH/Physiome effort, and by others. They address areas such as data handling/fusion, markup languages, model repositories, ontologies, tools (for simulation, imaging, data fitting, etc.), as well as grid, middleware, and workflow.Here, we provide an overview of resources that should be considered for inclusion in the VPH/Physiome ToolKit (i.e., the set of tools that addresses the needs and requirements of the Physiome Project and VPH Initiative) and discuss some of the challenges that we are still facing.

Fluid flow in porous media using image-based modelling to parametrize Richards' equation.

PubMed

Cooper, L J; Daly, K R; Hallett, P D; Naveed, M; Koebernick, N; Bengough, A G; George, T S; Roose, T

2017-11-01

The parameters in Richards' equation are usually calculated from experimentally measured values of the soil-water characteristic curve and saturated hydraulic conductivity. The complex pore structures that often occur in porous media complicate such parametrization due to hysteresis between wetting and drying and the effects of tortuosity. Rather than estimate the parameters in Richards' equation from these indirect measurements, image-based modelling is used to investigate the relationship between the pore structure and the parameters. A three-dimensional, X-ray computed tomography image stack of a soil sample with voxel resolution of 6 μm has been used to create a computational mesh. The Cahn-Hilliard-Stokes equations for two-fluid flow, in this case water and air, were applied to this mesh and solved using the finite-element method in COMSOL Multiphysics. The upscaled parameters in Richards' equation are then obtained via homogenization. The effect on the soil-water retention curve due to three different contact angles, 0°, 20° and 60°, was also investigated. The results show that the pore structure affects the properties of the flow on the large scale, and different contact angles can change the parameters for Richards' equation.

Multiphysics Modeling for Dimensional Analysis of a Self-Heated Molten Regolith Electrolysis Reactor for Oxygen and Metals Production on the Moon and Mars

NASA Technical Reports Server (NTRS)

Dominguez, Jesus A.; Sibille, Laurent

2010-01-01

The technology of direct electrolysis of molten lunar regolith to produce oxygen and molten metal alloys has progressed greatly in the last few years. The development of long-lasting inert anodes and cathode designs as well as techniques for the removal of molten products from the reactor has been demonstrated. The containment of chemically aggressive oxide and metal melts is very difficult at the operating temperatures ca 1600 C. Containing the molten oxides in a regolith shell can solve this technical issue and can be achieved by designing a self-heating reactor in which the electrolytic currents generate enough Joule heat to create a molten bath. In a first phase, a thermal analysis model was built to study the formation of a melt of lunar basaltic regolith irradiated by a focused solar beam This mode of heating was selected because it relies on radiative heat transfer, which is the dominant mode of transfer of energy in melts at 1600 C. Knowing and setting the Gaussian-type heat flux from the concentrated solar beam and the phase and temperature dependent thermal properties, the model predicts the dimensions and temperature profile of the melt. A validation of the model is presented in this paper through the experimental formation of a spherical cap melt realized by others. The Orbitec/PSI experimental setup uses an 3.6-cm diameter concentrated solar beam to create a hemispheric melt in a bed of lunar regolith simulant contained in a large pot. Upon cooling, the dimensions of the vitrified melt are measured to validate the thermal model. In a second phase, the model is augmented by multiphysics components to compute the passage of electrical currents between electrodes inserted in the molten regolith. The current through the melt generates Joule heating due to the high resistivity of the medium and this energy is transferred into the melt by conduction, convection and primarily by radiation. The model faces challenges in two major areas, the change of phase as temperature increases, and the dominance of radiative heat flux as heat transfer mechanism within the melt the change of phase concerns the regolith itself which is present in states ranging from a fine grain regolith with low thermal conductivity and low density to a vitrified melt with much higher thermal conductivity, and higher density. As the regolith is heated, it starts to soften around 1300 C the melt iS very viscous and evolving gas bubbles out in thick, lava-like fashion. By 1600 C the regolith is completely melted and the viscosity is low The second challenge resides in the proper modeling of the radiative heat flux requiring the addition of the computing-demanding radiative-heat-transfer function to the general heat transfer equation. The model Includes temperature-dependent properties (density, thermal conductivity, heat capacity, and viscosity, and absorption coefficients) and solves the radiative heat flux equation assuming gray (fine grains) and semi-transparent (melt) media and using an absorption coefficient spectral found in the literature for terrestrial minerals similar in composition to those of lunar regolith simulant

Maestro and Castro: Simulation Codes for Astrophysical Flows

NASA Astrophysics Data System (ADS)

Zingale, Michael; Almgren, Ann; Beckner, Vince; Bell, John; Friesen, Brian; Jacobs, Adam; Katz, Maximilian P.; Malone, Christopher; Nonaka, Andrew; Zhang, Weiqun

2017-01-01

Stellar explosions are multiphysics problems—modeling them requires the coordinated input of gravity solvers, reaction networks, radiation transport, and hydrodynamics together with microphysics recipes to describe the physics of matter under extreme conditions. Furthermore, these models involve following a wide range of spatial and temporal scales, which puts tough demands on simulation codes. We developed the codes Maestro and Castro to meet the computational challenges of these problems. Maestro uses a low Mach number formulation of the hydrodynamics to efficiently model convection. Castro solves the fully compressible radiation hydrodynamics equations to capture the explosive phases of stellar phenomena. Both codes are built upon the BoxLib adaptive mesh refinement library, which prepares them for next-generation exascale computers. Common microphysics shared between the codes allows us to transfer a problem from the low Mach number regime in Maestro to the explosive regime in Castro. Importantly, both codes are freely available (https://github.com/BoxLib-Codes). We will describe the design of the codes and some of their science applications, as well as future development directions.Support for development was provided by NSF award AST-1211563 and DOE/Office of Nuclear Physics grant DE-FG02-87ER40317 to Stony Brook and by the Applied Mathematics Program of the DOE Office of Advance Scientific Computing Research under US DOE contract DE-AC02-05CH11231 to LBNL.

Coupling biomechanics to a cellular level model: an approach to patient-specific image driven multi-scale and multi-physics tumor simulation.

PubMed

May, Christian P; Kolokotroni, Eleni; Stamatakos, Georgios S; Büchler, Philippe

2011-10-01

Modeling of tumor growth has been performed according to various approaches addressing different biocomplexity levels and spatiotemporal scales. Mathematical treatments range from partial differential equation based diffusion models to rule-based cellular level simulators, aiming at both improving our quantitative understanding of the underlying biological processes and, in the mid- and long term, constructing reliable multi-scale predictive platforms to support patient-individualized treatment planning and optimization. The aim of this paper is to establish a multi-scale and multi-physics approach to tumor modeling taking into account both the cellular and the macroscopic mechanical level. Therefore, an already developed biomodel of clinical tumor growth and response to treatment is self-consistently coupled with a biomechanical model. Results are presented for the free growth case of the imageable component of an initially point-like glioblastoma multiforme tumor. The composite model leads to significant tumor shape corrections that are achieved through the utilization of environmental pressure information and the application of biomechanical principles. Using the ratio of smallest to largest moment of inertia of the tumor material to quantify the effect of our coupled approach, we have found a tumor shape correction of 20% by coupling biomechanics to the cellular simulator as compared to a cellular simulation without preferred growth directions. We conclude that the integration of the two models provides additional morphological insight into realistic tumor growth behavior. Therefore, it might be used for the development of an advanced oncosimulator focusing on tumor types for which morphology plays an important role in surgical and/or radio-therapeutic treatment planning. Copyright © 2011 Elsevier Ltd. All rights reserved.

Multiscale Multiphysics Developments for Accident Tolerant Fuel Concepts

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

Gamble, K. A.; Hales, J. D.; Yu, J.

2015-09-01

U 3Si 2 and iron-chromium-aluminum (Fe-Cr-Al) alloys are two of many proposed accident-tolerant fuel concepts for the fuel and cladding, respectively. The behavior of these materials under normal operating and accident reactor conditions is not well known. As part of the Department of Energy’s Accident Tolerant Fuel High Impact Problem program significant work has been conducted to investigate the U 3Si 2 and FeCrAl behavior under reactor conditions. This report presents the multiscale and multiphysics effort completed in fiscal year 2015. The report is split into four major categories including Density Functional Theory Developments, Molecular Dynamics Developments, Mesoscale Developments, andmore » Engineering Scale Developments. The work shown here is a compilation of a collaborative effort between Idaho National Laboratory, Los Alamos National Laboratory, Argonne National Laboratory and Anatech Corp.« less

iTOUGH2: A multiphysics simulation-optimization framework for analyzing subsurface systems

NASA Astrophysics Data System (ADS)

Finsterle, S.; Commer, M.; Edmiston, J. K.; Jung, Y.; Kowalsky, M. B.; Pau, G. S. H.; Wainwright, H. M.; Zhang, Y.

2017-11-01

iTOUGH2 is a simulation-optimization framework for the TOUGH suite of nonisothermal multiphase flow models and related simulators of geophysical, geochemical, and geomechanical processes. After appropriate parameterization of subsurface structures and their properties, iTOUGH2 runs simulations for multiple parameter sets and analyzes the resulting output for parameter estimation through automatic model calibration, local and global sensitivity analyses, data-worth analyses, and uncertainty propagation analyses. Development of iTOUGH2 is driven by scientific challenges and user needs, with new capabilities continually added to both the forward simulator and the optimization framework. This review article provides a summary description of methods and features implemented in iTOUGH2, and discusses the usefulness and limitations of an integrated simulation-optimization workflow in support of the characterization and analysis of complex multiphysics subsurface systems.

Using CellML with OpenCMISS to Simulate Multi-Scale Physiology

PubMed Central

Nickerson, David P.; Ladd, David; Hussan, Jagir R.; Safaei, Soroush; Suresh, Vinod; Hunter, Peter J.; Bradley, Christopher P.

2014-01-01

OpenCMISS is an open-source modeling environment aimed, in particular, at the solution of bioengineering problems. OpenCMISS consists of two main parts: a computational library (OpenCMISS-Iron) and a field manipulation and visualization library (OpenCMISS-Zinc). OpenCMISS is designed for the solution of coupled multi-scale, multi-physics problems in a general-purpose parallel environment. CellML is an XML format designed to encode biophysically based systems of ordinary differential equations and both linear and non-linear algebraic equations. A primary design goal of CellML is to allow mathematical models to be encoded in a modular and reusable format to aid reproducibility and interoperability of modeling studies. In OpenCMISS, we make use of CellML models to enable users to configure various aspects of their multi-scale physiological models. This avoids the need for users to be familiar with the OpenCMISS internal code in order to perform customized computational experiments. Examples of this are: cellular electrophysiology models embedded in tissue electrical propagation models; material constitutive relationships for mechanical growth and deformation simulations; time-varying boundary conditions for various problem domains; and fluid constitutive relationships and lumped-parameter models. In this paper, we provide implementation details describing how CellML models are integrated into multi-scale physiological models in OpenCMISS. The external interface OpenCMISS presents to users is also described, including specific examples exemplifying the extensibility and usability these tools provide the physiological modeling and simulation community. We conclude with some thoughts on future extension of OpenCMISS to make use of other community developed information standards, such as FieldML, SED-ML, and BioSignalML. Plans for the integration of accelerator code (graphical processing unit and field programmable gate array) generated from CellML models is also discussed. PMID:25601911

Novel instrument for characterizing comprehensive physical properties under multi-mechanical loads and multi-physical field coupling conditions

NASA Astrophysics Data System (ADS)

Liu, Changyi; Zhao, Hongwei; Ma, Zhichao; Qiao, Yuansen; Hong, Kun; Ren, Zhuang; Zhang, Jianhai; Pei, Yongmao; Ren, Luquan

2018-02-01

Functional materials represented by ferromagnetics and ferroelectrics are widely used in advanced sensor and precision actuation due to their special characterization under coupling interactions of complex loads and external physical fields. However, the conventional devices for material characterization can only provide a limited type of loads and physical fields and cannot simulate the actual service conditions of materials. A multi-field coupling instrument for characterization has been designed and implemented to overcome this barrier and measure the comprehensive physical properties under complex service conditions. The testing forms include tension, compression, bending, torsion, and fatigue in mechanical loads, as well as different external physical fields, including electric, magnetic, and thermal fields. In order to offer a variety of information to reveal mechanical damage or deformation forms, a series of measurement methods at the microscale are integrated with the instrument including an indentation unit and in situ microimaging module. Finally, several coupling experiments which cover all the loading and measurement functions of the instrument have been implemented. The results illustrate the functions and characteristics of the instrument and then reveal the variety in mechanical and electromagnetic properties of the piezoelectric transducer ceramic, TbDyFe alloy, and carbon fiber reinforced polymer under coupling conditions.

Multiscale computational modeling of a radiantly driven solar thermal collector

NASA Astrophysics Data System (ADS)

Ponnuru, Koushik

The objectives of the master's thesis are to present, discuss and apply sequential multiscale modeling that combines analytical, numerical (finite element-based) and computational fluid dynamic (CFD) analysis to assist in the development of a radiantly driven macroscale solar thermal collector for energy harvesting. The solar thermal collector is a novel green energy system that converts solar energy to heat and utilizes dry air as a working heat transfer fluid (HTF). This energy system has important advantages over competitive technologies: it is self-contained (no energy sources are needed), there are no moving parts, no oil or supplementary fluids are needed and it is environmentally friendly since it is powered by solar radiation. This work focuses on the development of multi-physics and multiscale models for predicting the performance of the solar thermal collector. Model construction and validation is organized around three distinct and complementary levels. The first level involves an analytical analysis of the thermal transpiration phenomenon and models for predicting the associated mass flow pumping that occurs in an aerogel membrane in the presence of a large thermal gradient. Within the aerogel, a combination of convection, conduction and radiation occurs simultaneously in a domain where the pore size is comparable to the mean free path of the gas molecules. CFD modeling of thermal transpiration is not possible because all the available commercial CFD codes solve the Navier Stokes equations only for continuum flow, which is based on the assumption that the net molecular mass diffusion is zero. However, thermal transpiration occurs in a flow regime where a non-zero net molecular mass diffusion exists. Thus these effects are modeled by using Sharipov's [2] analytical expression for gas flow characterized by high Knudsen number. The second level uses a detailed CFD model solving Navier Stokes equations for momentum, heat and mass transfer in the various components of the device. We have used state-of-the-art computational fluid dynamics (CFD) software, Flow3D (www.flow3d.com) to model the effects of multiple coupled physical processes including buoyancy driven flow from local temperature differences within the plenums, fluid-solid momentum and heat transfer, and coupled radiation exchange between the aerogel, top glazing and environment. In addition, the CFD models include both convection and radiation exchange between the top glazing and the environment. Transient and steady-state thermal models have been constructed using COMSOL Multiphysics. The third level consists of a lumped-element system model, which enables rapid parametric analysis and helps to develop an understanding of the system behavior; the mathematical models developed and multiple CFD simulations studies focus on simultaneous solution of heat, momentum, mass and gas volume fraction balances and succeed in accurate state variable distributions confirmed by experimental measurements.

Interpretation of energy deposition data from historical operation of the transient test facility (TREAT)

DOE PAGES

DeHart, Mark D.; Baker, Benjamin A.; Ortensi, Javier

2017-07-27

The Transient Test Reactor (TREAT) at Idaho National Laboratory will resume operations in late 2017 after a 23 year hiatus while maintained in a cold standby state. Over that time period, computational power and simulation capabilities have increased substantially and now allow for new multiphysics modeling possibilities that were not practical or feasible for most of TREAT's operational history. Hence the return of TREAT to operational service provides a unique opportunity to apply state-of-the-art software and associated methods in the modeling and simulation of general three-dimensional steady state and kinetic behavior for reactor operation, and for coupling of the coremore » power transient model to experiment simulations. However, measurements taken in previous operations were intended to predict power deposition in experimental samples, with little consideration of three-dimensional core power distributions. Hence, interpretation of data for the purpose of validation of modern methods can be challenging. For the research discussed herein, efforts are described for the process of proper interpretation of data from the most recent calibration experiments performed in the core, the M8 calibration series (M8-CAL). These measurements were taken between 1990 and 1993 using a set of fission wires and test fuel pins to estimate the power deposition that would be produced in fast reactor test fuel pins during the M8 experiment series. Because of the decision to place TREAT into a standby state in 1994, the M8 series of transients were never performed. However, potentially valuable information relevant for validation is available in the M8-CAL measurement data, if properly interpreted. This article describes the current state of the process of recovery of useful data from M8-CAL measurements and quantification of biases and uncertainties to potentially apply to the validation of multiphysics methods.« less

Contactless ultrasonic energy transfer for wireless systems: acoustic-piezoelectric structure interaction modeling and performance enhancement

NASA Astrophysics Data System (ADS)

Shahab, S.; Erturk, A.

2014-12-01

There are several applications of wireless electronic components with little or no ambient energy available to harvest, yet wireless battery charging for such systems is still of great interest. Example applications range from biomedical implants to sensors located in hazardous environments. Energy transfer based on the propagation of acoustic waves at ultrasonic frequencies is a recently explored alternative that offers increased transmitter-receiver distance, reduced loss and the elimination of electromagnetic fields. As this research area receives growing attention, there is an increased need for fully coupled model development to quantify the energy transfer characteristics, with a focus on the transmitter, receiver, medium, geometric and material parameters. We present multiphysics modeling and case studies of the contactless ultrasonic energy transfer for wireless electronic components submerged in fluid. The source is a pulsating sphere, and the receiver is a piezoelectric bar operating in the 33-mode of piezoelectricity with a fundamental resonance frequency above the audible frequency range. The goal is to quantify the electrical power delivered to the load (connected to the receiver) in terms of the source strength. Both the analytical and finite element models have been developed for the resulting acoustic-piezoelectric structure interaction problem. Resistive and resistive-inductive electrical loading cases are presented, and optimality conditions are discussed. Broadband power transfer is achieved by optimal resistive-reactive load tuning for performance enhancement and frequency-wise robustness. Significant enhancement of the power output is reported due to the use of a hard piezoelectric receiver (PZT-8) instead of a soft counterpart (PZT-5H) as a result of reduced material damping. The analytical multiphysics modeling approach given in this work can be used to predict and optimize the coupled system dynamics with very good accuracy and dramatically improved computational efficiency compared to the use of commercial finite element packages.

Interpretation of energy deposition data from historical operation of the transient test facility (TREAT)

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

DeHart, Mark D.; Baker, Benjamin A.; Ortensi, Javier

The Transient Test Reactor (TREAT) at Idaho National Laboratory will resume operations in late 2017 after a 23 year hiatus while maintained in a cold standby state. Over that time period, computational power and simulation capabilities have increased substantially and now allow for new multiphysics modeling possibilities that were not practical or feasible for most of TREAT's operational history. Hence the return of TREAT to operational service provides a unique opportunity to apply state-of-the-art software and associated methods in the modeling and simulation of general three-dimensional steady state and kinetic behavior for reactor operation, and for coupling of the coremore » power transient model to experiment simulations. However, measurements taken in previous operations were intended to predict power deposition in experimental samples, with little consideration of three-dimensional core power distributions. Hence, interpretation of data for the purpose of validation of modern methods can be challenging. For the research discussed herein, efforts are described for the process of proper interpretation of data from the most recent calibration experiments performed in the core, the M8 calibration series (M8-CAL). These measurements were taken between 1990 and 1993 using a set of fission wires and test fuel pins to estimate the power deposition that would be produced in fast reactor test fuel pins during the M8 experiment series. Because of the decision to place TREAT into a standby state in 1994, the M8 series of transients were never performed. However, potentially valuable information relevant for validation is available in the M8-CAL measurement data, if properly interpreted. This article describes the current state of the process of recovery of useful data from M8-CAL measurements and quantification of biases and uncertainties to potentially apply to the validation of multiphysics methods.« less

A Comparison of Curing Process-Induced Residual Stresses and Cure Shrinkage in Micro-Scale Composite Structures with Different Constitutive Laws

NASA Astrophysics Data System (ADS)

Li, Dongna; Li, Xudong; Dai, Jianfeng; Xi, Shangbin

2018-02-01

In this paper, three kinds of constitutive laws, elastic, "cure hardening instantaneously linear elastic (CHILE)" and viscoelastic law, are used to predict curing process-induced residual stress for the thermoset polymer composites. A multi-physics coupling finite element analysis (FEA) model implementing the proposed three approaches is established in COMSOL Multiphysics-Version 4.3b. The evolution of thermo-physical properties with temperature and degree of cure (DOC), which improved the accuracy of numerical simulations, and cure shrinkage are taken into account for the three models. Subsequently, these three proposed constitutive models are implemented respectively in a 3D micro-scale composite laminate structure. Compared the differences between these three numerical results, it indicates that big error in residual stress and cure shrinkage generates by elastic model, but the results calculated by the modified CHILE model are in excellent agreement with those estimated by the viscoelastic model.

Hot-spot contributions in shocked high explosives from mesoscale ignition models

NASA Astrophysics Data System (ADS)

Levesque, G.; Vitello, P.; Howard, W. M.

2013-06-01

High explosive performance and sensitivity is strongly related to the mesoscale defect densities. Bracketing the population of mesoscale hot spots that are active in the shocked ignition of explosives is important for the development of predictive reactive flow models. By coupling a multiphysics-capable hydrodynamics code (ale3d) with a chemical kinetics solver (cheetah), we can parametrically analyze different pore sizes undergoing collapse in high pressure shock conditions with evolving physical parameter fields. Implementing first-principles based decomposition kinetics, burning hot spots are monitored, and the regimes of pore sizes that contribute significantly to burnt mass faction and those that survive thermal conduction on the time scales of ignition are elucidated. Comparisons are drawn between the thermal explosion theory and the multiphysics models for the determination of nominal pore sizes that burn significantly during ignition for the explosive 1,3,5-triamino-2,4,6-trinitrobenzene.

Comprehensive pulsed electric field (PEF) system analysis for microalgae processing.

PubMed

Buchmann, Leandro; Bloch, Robin; Mathys, Alexander

2018-06-07

Pulsed electric field (PEF) is an emerging nonthermal technique with promising applications in microalgae biorefinery concepts. In this work, the flow field in continuous PEF processing and its influencing factors were analyzed and energy input distributions in PEF treatment chambers were investigated. The results were obtained using an interdisciplinary approach that combined multiphysics simulations with ultrasonic Doppler velocity profiling (UVP) and rheological measurements of Arthrospira platensis suspensions as a case study for applications in the biobased industry. UVP enabled non-invasive validation of multiphysics simulations. A. platensis suspensions follow a non-Newtonian, shear-thinning behavior, and measurement data could be fitted with rheological functions, which were used as an input for fluid dynamics simulations. Within the present work, a comprehensive system characterization was achieved that will facilitate research in the field of PEF processing. Copyright © 2018 The Author(s). Published by Elsevier Ltd.. All rights reserved.

Multiphysics Simulation of Welding-Arc and Nozzle-Arc System: Mathematical-Model, Solution-Methodology and Validation

NASA Astrophysics Data System (ADS)

Pawar, Sumedh; Sharma, Atul

2018-01-01

This work presents mathematical model and solution methodology for a multiphysics engineering problem on arc formation during welding and inside a nozzle. A general-purpose commercial CFD solver ANSYS FLUENT 13.0.0 is used in this work. Arc formation involves strongly coupled gas dynamics and electro-dynamics, simulated by solution of coupled Navier-Stoke equations, Maxwell's equations and radiation heat-transfer equation. Validation of the present numerical methodology is demonstrated with an excellent agreement with the published results. The developed mathematical model and the user defined functions (UDFs) are independent of the geometry and are applicable to any system that involves arc-formation, in 2D axisymmetric coordinates system. The high-pressure flow of SF6 gas in the nozzle-arc system resembles arc chamber of SF6 gas circuit breaker; thus, this methodology can be extended to simulate arcing phenomenon during current interruption.

Deformation measurements by ESPI of the surface of a heated mirror and comparison with numerical model

NASA Astrophysics Data System (ADS)

Languy, Fabian; Vandenrijt, Jean-François; Saint-Georges, Philippe; Georges, Marc P.

2017-06-01

The manufacture of mirrors for space application is expensive and the requirements on the optical performance increase over years. To achieve higher performance, larger mirrors are manufactured but the larger the mirror the higher the sensitivity to temperature variation and therefore the higher the degradation of optical performances. To avoid the use of an expensive thermal regulation, we need to develop tools able to predict how optics behaves with thermal constraints. This paper presents the comparison between experimental surface mirror deformation and theoretical results from a multiphysics model. The local displacements of the mirror surface have been measured with the use of electronic speckle pattern interferometry (ESPI) and the deformation itself has been calculated by subtracting the rigid body motion. After validation of the mechanical model, experimental and numerical wave front errors are compared.

Structural model of standard ultrasonic transducer array developed for FEM analysis of mechanical crosstalk.

PubMed

Celmer, M; Opieliński, K J; Dopierała, M

2018-02-01

One of the reasons of distortions in ultrasonic imaging are crosstalk effects. They can be divided into groups according to the way of their formation. One of them is constituted by mechanical crosstalk, which is propagated by a construction of a multi-element array of piezoelectric transducers. When an individual transducer is excited, mechanical vibrations are transferred to adjacent construction components, thereby stimulating neighboring transducers to an undesired operation. In order to explore ways of the propagation of such vibrations, the authors developed the FEM model of the array of piezoelectric transducers designed for calculations in COMSOL Multiphysics software. Simulations of activating individual transducers and calculated electrical voltages appearing on transducers unstimulated intentionally, were performed in the time domain in order to assess the propagation velocity of different vibration modes through the construction elements. On this basis, conclusions were drawn in terms of the participation of various construction parts of the array of piezoelectric transducers in the process of creating the mechanical crosstalk. The elaborated FEM model allowed also to examine the ways aimed at reducing the transmission of mechanical crosstalk vibrations through the components of the array. Studies showed that correct cuts in the fasteners and the front layer improve the reduction of the mechanical crosstalk effect. The model can become a helpful tool in the process of design and modifications of manufactured ultrasonic arrays particularly in terms of mechanical crosstalk reduction. Copyright © 2017 Elsevier B.V. All rights reserved.

Reactor Pressure Vessel Integrity Assessments with the Grizzly Aging Simulation Code

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

Spencer, Benjamin; Backman, Marie; Hoffman, William

Grizzly is a simulation tool being developed at Idaho National Laboratory (INL) as part of the US Department of Energy’s Light Water Reactor Sustainability program to provide improved safety assessments of systems, components, and structures in nuclear power plants subjected to age-related degradation. Its goal is to provide an improved scientific basis for decisions surrounding license renewal, which would permit operation of commercial nuclear power plants beyond 60 years. Grizzly is based on INL’s MOOSE framework, which enables multiphysics simulations in a parallel computing environment. It will address a wide variety of aging issues in nuclear power plant systems, components,more » and structures, modelling both the aging processes and the ability of age-degraded components to perform safely. The reactor pressure vessel (RPV) was chosen as the initial application for Grizzly. Grizzly solves tightly coupled equations of heat conduction and solid mechanics to simulate the global response of the RPV to accident conditions, and uses submodels to represent regions with pre-existing flaws. Domain integrals are used to calculate stress intensity factors on those flaws. A physically based empirical model is used to evaluate material embrittlement, and is used to evaluate whether crack growth would occur. Grizzly can represent the RPV in 2D or 3D, allowing it to evaluate effects that require higher dimensionality models to capture. Work is underway to use lower length scale models of material evolution to inform engineering models of embrittlement. This paper demonstrates an application of Grizzly to RPV failure assessment, and summarizes on-going work.« less

The Canadian Hydrological Model (CHM): A multi-scale, variable-complexity hydrological model for cold regions

NASA Astrophysics Data System (ADS)

Marsh, C.; Pomeroy, J. W.; Wheater, H. S.

2016-12-01

There is a need for hydrological land surface schemes that can link to atmospheric models, provide hydrological prediction at multiple scales and guide the development of multiple objective water predictive systems. Distributed raster-based models suffer from an overrepresentation of topography, leading to wasted computational effort that increases uncertainty due to greater numbers of parameters and initial conditions. The Canadian Hydrological Model (CHM) is a modular, multiphysics, spatially distributed modelling framework designed for representing hydrological processes, including those that operate in cold-regions. Unstructured meshes permit variable spatial resolution, allowing coarse resolutions at low spatial variability and fine resolutions as required. Model uncertainty is reduced by lessening the necessary computational elements relative to high-resolution rasters. CHM uses a novel multi-objective approach for unstructured triangular mesh generation that fulfills hydrologically important constraints (e.g., basin boundaries, water bodies, soil classification, land cover, elevation, and slope/aspect). This provides an efficient spatial representation of parameters and initial conditions, as well as well-formed and well-graded triangles that are suitable for numerical discretization. CHM uses high-quality open source libraries and high performance computing paradigms to provide a framework that allows for integrating current state-of-the-art process algorithms. The impact of changes to model structure, including individual algorithms, parameters, initial conditions, driving meteorology, and spatial/temporal discretization can be easily tested. Initial testing of CHM compared spatial scales and model complexity for a spring melt period at a sub-arctic mountain basin. The meshing algorithm reduced the total number of computational elements and preserved the spatial heterogeneity of predictions.

Reduced Order Model Implementation in the Risk-Informed Safety Margin Characterization Toolkit

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

Mandelli, Diego; Smith, Curtis L.; Alfonsi, Andrea

2015-09-01

The RISMC project aims to develop new advanced simulation-based tools to perform Probabilistic Risk Analysis (PRA) for the existing fleet of U.S. nuclear power plants (NPPs). These tools numerically model not only the thermo-hydraulic behavior of the reactor primary and secondary systems but also external events temporal evolution and components/system ageing. Thus, this is not only a multi-physics problem but also a multi-scale problem (both spatial, µm-mm-m, and temporal, ms-s-minutes-years). As part of the RISMC PRA approach, a large amount of computationally expensive simulation runs are required. An important aspect is that even though computational power is regularly growing, themore » overall computational cost of a RISMC analysis may be not viable for certain cases. A solution that is being evaluated is the use of reduce order modeling techniques. During the FY2015, we investigated and applied reduced order modeling techniques to decrease the RICM analysis computational cost by decreasing the number of simulations runs to perform and employ surrogate models instead of the actual simulation codes. This report focuses on the use of reduced order modeling techniques that can be applied to any RISMC analysis to generate, analyze and visualize data. In particular, we focus on surrogate models that approximate the simulation results but in a much faster time (µs instead of hours/days). We apply reduced order and surrogate modeling techniques to several RISMC types of analyses using RAVEN and RELAP-7 and show the advantages that can be gained.« less

Influence of parameters controlling the extrusion step in fused filament fabrication (FFF) process applied to polymers using numerical simulation

NASA Astrophysics Data System (ADS)

Shahriar, Bakrani Balani; Arthur, Cantarel; France, Chabert; Valérie, Nassiet

2018-05-01

Extrusion is one of the oldest manufacturing processes; it is widely used for manufacturing finished and semi-finished products. Moreover, extrusion is also the main process in additive manufacturing technologies such as Fused Filament Fabrication (FFF). In FFF process, the parts are manufactured layer by layer using thermoplastic material. The latter in form of filament, is melted in the liquefier and then it is extruded and deposited on the previous layer. The mechanical properties of the printed parts rely on the coalescence of each extrudate with another one. The coalescence phenomenon is driven by the flow properties of the melted polymer when it comes out the nozzle just before the deposition step. This study aims to master the quality of the printed parts by controlling the effect of the parameters of the extruder on the flow properties in the FFF process. In the current study, numerical simulation of the polymer coming out of the extruder was carried out using Computational Fluid Dynamics (CFD) and two phase flow (TPF) simulation Level Set (LS) method by 2D axisymmetric module of COMSOL Multiphysics software. In order to pair the heat transfer with the flow simulation, an advection-diffusion equation was used. Advection-diffusion equation was implemented as a Partial Differential Equation (PDE) in the software. In order to define the variation of viscosity of the polymer with temperature, the rheological behaviors of two thermoplastics were measured by extensional rheometer and using a parallel-plate configuration of an oscillatory rheometer. The results highlight the influence of the environment temperature and the cooling rate on the temperature and viscosity of the extrudate exiting from the nozzle. Moreover, the temperature and its corresponding viscosity at different times have been determined using numerical simulation. At highest shear rates, the extrudate undergoes deformation from typical cylindrical shape. These results are required to predict the coalescence of filaments, a step towards understanding the mechanical properties of the printed parts.

Quantum Dynamics in Continuum for Proton Transport I: Basic Formulation.

PubMed

Chen, Duan; Wei, Guo-Wei

2013-01-01

Proton transport is one of the most important and interesting phenomena in living cells. The present work proposes a multiscale/multiphysics model for the understanding of the molecular mechanism of proton transport in transmembrane proteins. We describe proton dynamics quantum mechanically via a density functional approach while implicitly model other solvent ions as a dielectric continuum to reduce the number of degrees of freedom. The densities of all other ions in the solvent are assumed to obey the Boltzmann distribution. The impact of protein molecular structure and its charge polarization on the proton transport is considered explicitly at the atomic level. We formulate a total free energy functional to put proton kinetic and potential energies as well as electrostatic energy of all ions on an equal footing. The variational principle is employed to derive nonlinear governing equations for the proton transport system. Generalized Poisson-Boltzmann equation and Kohn-Sham equation are obtained from the variational framework. Theoretical formulations for the proton density and proton conductance are constructed based on fundamental principles. The molecular surface of the channel protein is utilized to split the discrete protein domain and the continuum solvent domain, and facilitate the multiscale discrete/continuum/quantum descriptions. A number of mathematical algorithms, including the Dirichlet to Neumann mapping, matched interface and boundary method, Gummel iteration, and Krylov space techniques are utilized to implement the proposed model in a computationally efficient manner. The Gramicidin A (GA) channel is used to demonstrate the performance of the proposed proton transport model and validate the efficiency of proposed mathematical algorithms. The electrostatic characteristics of the GA channel is analyzed with a wide range of model parameters. The proton conductances are studied over a number of applied voltages and reference concentrations. A comparison with experimental data verifies the present model predictions and validates the proposed model.

An approach for coupled-code multiphysics core simulations from a common input

DOE PAGES

Schmidt, Rodney; Belcourt, Kenneth; Hooper, Russell; ...

2014-12-10

This study describes an approach for coupled-code multiphysics reactor core simulations that is being developed by the Virtual Environment for Reactor Applications (VERA) project in the Consortium for Advanced Simulation of Light-Water Reactors (CASL). In this approach a user creates a single problem description, called the “VERAIn” common input file, to define and setup the desired coupled-code reactor core simulation. A preprocessing step accepts the VERAIn file and generates a set of fully consistent input files for the different physics codes being coupled. The problem is then solved using a single-executable coupled-code simulation tool applicable to the problem, which ismore » built using VERA infrastructure software tools and the set of physics codes required for the problem of interest. The approach is demonstrated by performing an eigenvalue and power distribution calculation of a typical three-dimensional 17 × 17 assembly with thermal–hydraulic and fuel temperature feedback. All neutronics aspects of the problem (cross-section calculation, neutron transport, power release) are solved using the Insilico code suite and are fully coupled to a thermal–hydraulic analysis calculated by the Cobra-TF (CTF) code. The single-executable coupled-code (Insilico-CTF) simulation tool is created using several VERA tools, including LIME (Lightweight Integrating Multiphysics Environment for coupling codes), DTK (Data Transfer Kit), Trilinos, and TriBITS. Parallel calculations are performed on the Titan supercomputer at Oak Ridge National Laboratory using 1156 cores, and a synopsis of the solution results and code performance is presented. Finally, ongoing development of this approach is also briefly described.« less

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

Harrison, Cyrus; Larsen, Matt; Brugger, Eric

Strawman is a system designed to explore the in situ visualization and analysis needs of simulation code teams running multi-physics calculations on many-core HPC architectures. It porvides rendering pipelines that can leverage both many-core CPUs and GPUs to render images of simulation meshes.

Partitioned fluid-solid coupling for cardiovascular blood flow: left-ventricular fluid mechanics.

PubMed

Krittian, Sebastian; Janoske, Uwe; Oertel, Herbert; Böhlke, Thomas

2010-04-01

We present a 3D code-coupling approach which has been specialized towards cardiovascular blood flow. For the first time, the prescribed geometry movement of the cardiovascular flow model KaHMo (Karlsruhe Heart Model) has been replaced by a myocardial composite model. Deformation is driven by fluid forces and myocardial response, i.e., both its contractile and constitutive behavior. Whereas the arbitrary Lagrangian-Eulerian formulation (ALE) of the Navier-Stokes equations is discretized by finite volumes (FVM), the solid mechanical finite elasticity equations are discretized by a finite element (FEM) approach. Taking advantage of specialized numerical solution strategies for non-matching fluid and solid domain meshes, an iterative data-exchange guarantees the interface equilibrium of the underlying governing equations. The focus of this work is on left-ventricular fluid-structure interaction based on patient-specific magnetic resonance imaging datasets. Multi-physical phenomena are described by temporal visualization and characteristic FSI numbers. The results gained show flow patterns that are in good agreement with previous observations. A deeper understanding of cavity deformation, blood flow, and their vital interaction can help to improve surgical treatment and clinical therapy planning.

Magnetostrictive Vibration Damper and Energy Harvester for Rotating Machinery

NASA Technical Reports Server (NTRS)

Deng, Zhangxian; Asnani, Vivake M.; Dapino, Marcelo J.

2015-01-01

Vibrations generated by machine driveline components can cause excessive noise and structural damage. Magnetostrictive materials, including Galfenol (iron-gallium alloys) and Terfenol-D (terbium-iron-dysprosium alloys), are able to convert mechanical energy to magnetic energy. A magnetostrictive vibration ring is proposed, which generates electrical energy and dampens vibration, when installed in a machine driveline. A 2D axisymmetric finite element (FE) model incorporating magnetic, mechanical, and electrical dynamics is constructed in COMSOL Multiphysics. Based on the model, a parametric study considering magnetostrictive material geometry, pickup coil size, bias magnet strength, flux path design, and electrical load is conducted to maximize loss factor and average electrical output power. By connecting various resistive loads to the pickup coil, the maximum loss factors for Galfenol and Terfenol-D due to electrical energy loss are identified as 0.14 and 0.34, respectively. The maximum average electrical output power for Galfenol and Terfenol-D is 0.21 W and 0.58 W, respectively. The loss factors for Galfenol and Terfenol-D are increased to 0.59 and 1.83, respectively, by using an L-C resonant circuit.

Analysis of the stress-strain state in single overlap joints using piezo-ceramic actuators

NASA Astrophysics Data System (ADS)

Pǎltânea, Veronica; Pǎltânea, Gheorghe; Popovici, Dorina; Jiga, Gabriel; Papanicolaou, George

2014-05-01

In this paper is presented a 2D approach to finite element modeling and an analytical calculus of a single lap bonded joint. As adherent material were selected a sheet of wood, aluminum and titanium. For adhesive part were selected Bison Super Wood D3 in case of the wood single lap joint and an epoxy resin type DGEBA-TETA for gluing together aluminum and titanium parts. In the article is described a combined method, which consists in the placement of the piezoelectric actuator inside of the adhesive part, in order to determine the tensile stress in the overlap joint. A comparison between the analytical and numerical results has been achieved through a multiphysics modeling - electrical and mechanical coupled problem. The technique used to calculate the mechanical parameters (First Principal Stress, displacements) was the three-point bending test, where different forces were applied in the mid-span of the structure, in order to maintain a constant displacement rate. The length of the overlap joint was modified from 20 to 50 mm.

ParaView visualization of Abaqus output on the mechanical deformation of complex microstructures

NASA Astrophysics Data System (ADS)

Liu, Qingbin; Li, Jiang; Liu, Jie

2017-02-01

Abaqus® is a popular software suite for finite element analysis. It delivers linear and nonlinear analyses of mechanical and fluid dynamics, includes multi-body system and multi-physics coupling. However, the visualization capability of Abaqus using its CAE module is limited. Models from microtomography have extremely complicated structures, and datasets of Abaqus output are huge, requiring a visualization tool more powerful than Abaqus/CAE. We convert Abaqus output into the XML-based VTK format by developing a Python script and then using ParaView to visualize the results. Such capabilities as volume rendering, tensor glyphs, superior animation and other filters allow ParaView to offer excellent visualizing manifestations. ParaView's parallel visualization makes it possible to visualize very big data. To support full parallel visualization, the Python script achieves data partitioning by reorganizing all nodes, elements and the corresponding results on those nodes and elements. The data partition scheme minimizes data redundancy and works efficiently. Given its good readability and extendibility, the script can be extended to the processing of more different problems in Abaqus. We share the script with Abaqus users on GitHub.

SiC/SiC Cladding Materials Properties Handbook

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

Snead, Mary A.; Katoh, Yutai; Koyanagi, Takaaki

When a new class of material is considered for a nuclear core structure, the in-pile performance is usually assessed based on multi-physics modeling in coordination with experiments. This report aims to provide data for the mechanical and physical properties and environmental resistance of silicon carbide (SiC) fiber–reinforced SiC matrix (SiC/SiC) composites for use in modeling for their application as accidenttolerant fuel cladding for light water reactors (LWRs). The properties are specific for tube geometry, although many properties can be predicted from planar specimen data. This report presents various properties, including mechanical properties, thermal properties, chemical stability under normal and offnormalmore » operation conditions, hermeticity, and irradiation resistance. Table S.1 summarizes those properties mainly for nuclear-grade SiC/SiC composites fabricated via chemical vapor infiltration (CVI). While most of the important properties are available, this work found that data for the in-pile hydrothermal corrosion resistance of SiC materials and for thermal properties of tube materials are lacking for evaluation of SiC-based cladding for LWR applications.« less

3D optimization of a polymer MOEMS for active focusing of VCSEL beam

NASA Astrophysics Data System (ADS)

Abada, S.; Camps, T.; Reig, B.; Doucet, JB; Daran, E.; Bardinal, V.

2014-05-01

We report on the optimized design of a polymer-based actuator that can be directly integrated on a VCSEL for vertical beam scanning. Its operation principle is based on the vertical displacement of a SU-8 membrane including a polymer microlens. Under an applied thermal gradient, the membrane is shifted vertically due to thermal expansion in the actuation arms induced by Joule effect. This leads to a modification of microlens position and thus to a vertical scan of the laser beam. Membrane vertical displacements as high as 8μm for only 3V applied were recently experimentally obtained. To explain these performances, we developed a comprehensive tri-dimensional thermo-mechanical model that takes into account SU-8 material properties and precise MOEMS geometry. Out-of-plane mechanical coefficients and thermal conductivity were thus integrated in our 3D model (COMSOL Multiphysics). Vertical displacements extracted from these data for different actuation powers were successfully compared to experimental values, validating this modelling tool. Thereby, it was exploited to increase MOEMS electrothermal performance by a factor higher than 5.

Finite element analysis of displacement actuator based on giant magnetostrictive thin film

NASA Astrophysics Data System (ADS)

Yu, Shaopeng; Wang, Bowen; Zhang, Changgeng; Cui, Baozhi

2018-05-01

With the rapid development of science and technology, mechanical and electrical equipment become more and more miniature. In order to achieve precise control in less than 1cm3, the giant magnetostrictive thin film has become a research hotspot. The micro displacement actuator with planar and arc film is designed by the dynamic coupling model based on J-A model and magneto-mechanical effect method which is proposed in this paper. The different structure and thickness of films are analyzed by COMSOL Multiphysics software when the current flows through driving coil. After comparing the simulation results with the test ones, it can be seen that the coupling model is accurate and the structure is reliable. At the same time, MATLAB is used to fit the current density-displacement curve and higher order equation is obtained, and then the feasibility of design can be verified. The actuator with arc structure had advantages of small volume, fast response, high precision, easy integration, etc., which has a broad application prospect in the field of vibration control, micro positioning, robot and so on.

(Project 14-6770) An Investigation to Establish Multiphysical Property Dataset of Nuclear Materials Based on in-situ Observations and Measurements

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

Tomar, Vikas; Haque, Aman; Hattar, Khalid

In-core nuclear materials including fuel pins and cladding materials fail due to issues including corrosion, mechanical wear, and pellet cladding interaction. In most such scenario microstructure dependent and corrosioninduced chemistry dependent property changes significantly affect performance of cladding, pellet, and housing. Emphasis of this work was on replace conventional pellet-cladding material models with a new straingradient viscoplasticity model that is informed by transmission electron microscopy (TEM) based measurements and by nanomechanical Raman spectroscopy (NMRS) based measurements. The TEM measurements are quantitative in nature and therefore reveal stress-strain relations with simultaneous insights into mechanisms of deformation at nanoscale. The NMRS measurementsmore » reveal the similar information at mesoscale along with additional information on relating local microstructural stresses with applied stresses. The resulting information is used to fit constants in the strain gradient viscoplasticity model as well as to validate one. During TEM measurements, a micro-electro-mechanical system based setup was developed with mechanical actuation, sensing, heating, and electrical loading. Contrary to post-mortem analysis or qualitative visualization, this setup combines direct visualization of the mechanisms behind deformation with measurement of stress, strain, thermal and electrical properties. The unique research philosophy of visualizing the microstructure at high resolution while measuring the properties led to fundamental understanding in grain size and temperature effects on measured mechanical properties such as fracture toughness. A key contribution is the role of mechanical loading boundary conditions to deconvolute the insitu TEM based nanoscale and NMRS based mesoscale data to bulk behavior. First the literature based pellet cladding mechanical interaction model based on the work of Retel’s and Williamson’s in literature work to predict tempurature and stress distribution in cladding and pellet at normal operating condition was analyzed. Later the data was fitted to find constants for a viscoplastic strain gradient model. The developed model still needs to be refined and calibrated using various experimental results. That remains the focus of future work. Overall, a major thrust of the work was therefore on active control of the microstructure (grain size, defect density and types) exploiting the multi-physics coupling in materials. In particular, using experiments the synergy of current density, mechanical stress and temperature were studied to annihilate defects and recrystallize grains. The developed model is being examined for implementation in BISON. Multiple invited talks, international journal publications, and conference publications were performed by students supported on this work. Another output is support multiple PhD and masters thesis students who will be an important asset for future basic nuclear research. Future Work Recommendations: A nuclear reactor operates under significant variations of thermal loads due to energy cycling and mechanical loads due to constraint effects. Significant thermal and chemical diffusion takes place at the pallet-cladding level. While the proposed work established new experimental approach and new dataset for Zircaloy-4, the irradiation level was in the range of 1-2 dpa. Samples with higher dpa need to be examined. Therefore, a continual of support of the performed work is essential. Currently, these are the only experiments that can measure the produced data. The work also needs to be extended to different fuel types and cladding types such as SiC and FeCrAl based claddings. A combination of datasets for these materials can then be used to analyze accurately predict behavior of critical pellet cladding systems in accident scenario with high heat flux and high thermal loads. This is a BIG unknown as if now.« less

Derivation of an Explicit Form of the Percolation-Based Effective-Medium Approximation for Thermal Conductivity of Partially Saturated Soils

NASA Astrophysics Data System (ADS)

Sadeghi, Morteza; Ghanbarian, Behzad; Horton, Robert

2018-02-01

Thermal conductivity is an essential component in multiphysics models and coupled simulation of heat transfer, fluid flow, and solute transport in porous media. In the literature, various empirical, semiempirical, and physical models were developed for thermal conductivity and its estimation in partially saturated soils. Recently, Ghanbarian and Daigle (GD) proposed a theoretical model, using the percolation-based effective-medium approximation, whose parameters are physically meaningful. The original GD model implicitly formulates thermal conductivity λ as a function of volumetric water content θ. For the sake of computational efficiency in numerical calculations, in this study, we derive an explicit λ(θ) form of the GD model. We also demonstrate that some well-known empirical models, e.g., Chung-Horton, widely applied in the HYDRUS model, as well as mixing models are special cases of the GD model under specific circumstances. Comparison with experiments indicates that the GD model can accurately estimate soil thermal conductivity.

Evaluation of HFIR LEU Fuel Using the COMSOL Multiphysics Platform

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

Primm, Trent; Ruggles, Arthur; Freels, James D

2009-03-01

A finite element computational approach to simulation of the High Flux Isotope Reactor (HFIR) Core Thermal-Fluid behavior is developed. These models were developed to facilitate design of a low enriched core for the HFIR, which will have different axial and radial flux profiles from the current HEU core and thus will require fuel and poison load optimization. This report outlines a stepwise implementation of this modeling approach using the commercial finite element code, COMSOL, with initial assessment of fuel, poison and clad conduction modeling capability, followed by assessment of mating of the fuel conduction models to a one dimensional fluidmore » model typical of legacy simulation techniques for the HFIR core. The model is then extended to fully couple 2-dimensional conduction in the fuel to a 2-dimensional thermo-fluid model of the coolant for a HFIR core cooling sub-channel with additional assessment of simulation outcomes. Finally, 3-dimensional simulations of a fuel plate and cooling channel are presented.« less

Remediation of groundwater contaminated with the lead-phenol binary system by granular dead anaerobic sludge-permeable reactive barrier.

PubMed

Faisal, Ayad A H; Abd Ali, Ziad T

2017-10-01

Computer solutions (COMSOL) Multiphysics 3.5a software was used for simulating the one-dimensional equilibrium transport of the lead-phenol binary system including the sorption process through saturated sandy soil as the aquifer and granular dead anaerobic sludge (GDAS) as the permeable reactive barrier. Fourier-transform infrared spectroscopy analysis proved that the carboxylic and alcohol groups are responsible for the bio-sorption of lead onto GDAS, while phosphines, aromatic and alkane are the functional groups responsible for the bio-sorption of phenol. Batch tests have been performed to characterize the equilibrium sorption properties of the GDAS and sandy soil in lead and/or phenol containing aqueous solutions. Numerical and experimental results proved that the barrier plays a potential role in the restriction of the contaminant plume migration and there is a linear relationship between longevity and thickness of the barrier. A good agreement between these results was recognized with root mean squared error not exceeding 0.04.

Snow Micro-Structure Model

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

Micah Johnson, Andrew Slaughter

PIKA is a MOOSE-based application for modeling micro-structure evolution of seasonal snow. The model will be useful for environmental, atmospheric, and climate scientists. Possible applications include application to energy balance models, ice sheet modeling, and avalanche forecasting. The model implements physics from published, peer-reviewed articles. The main purpose is to foster university and laboratory collaboration to build a larger multi-scale snow model using MOOSE. The main feature of the code is that it is implemented using the MOOSE framework, thus making features such as multiphysics coupling, adaptive mesh refinement, and parallel scalability native to the application. PIKA implements three equations:more » the phase-field equation for tracking the evolution of the ice-air interface within seasonal snow at the grain-scale; the heat equation for computing the temperature of both the ice and air within the snow; and the mass transport equation for monitoring the diffusion of water vapor in the pore space of the snow.« less

Validating a Model for Welding Induced Residual Stress Using High-Energy X-ray Diffraction

DOE PAGES

Mach, J. C.; Budrow, C. J.; Pagan, D. C.; ...

2017-03-15

Integrated computational materials engineering (ICME) provides a pathway to advance performance in structures through the use of physically-based models to better understand how manufacturing processes influence product performance. As one particular challenge, consider that residual stresses induced in fabrication are pervasive and directly impact the life of structures. For ICME to be an effective strategy, it is essential that predictive capability be developed in conjunction with critical experiments. In the present paper, simulation results from a multi-physics model for gas metal arc welding are evaluated through x-ray diffraction using synchrotron radiation. A test component was designed with intent to developmore » significant gradients in residual stress, be representative of real-world engineering application, yet remain tractable for finely spaced strain measurements with positioning equipment available at synchrotron facilities. Finally, the experimental validation lends confidence to model predictions, facilitating the explicit consideration of residual stress distribution in prediction of fatigue life.« less

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

Jonkman, Jason; Annoni, Jennifer; Hayman, Greg

This paper presents the development of FAST.Farm, a new multiphysics tool applicable to engineering problems in research and industry involving wind farm performance and cost optimization that is needed to address the current underperformance, failures, and expenses plaguing the wind industry. Achieving wind cost-of-energy targets - which requires improvements in wind farm performance and reliability, together with reduced uncertainty and expenditures - has been eluded by the complicated nature of the wind farm design problem, especially the sophisticated interaction between atmospheric phenomena and wake dynamics and array effects. FAST.Farm aims to balance the need for accurate modeling of the relevantmore » physics for predicting power performance and loads while maintaining low computational cost to support a highly iterative and probabilistic design process and system-wide optimization. FAST.Farm makes use of FAST to model the aero-hydro-servo-elastics of distinct turbines in the wind farm, and it is based on some of the principles of the Dynamic Wake Meandering (DWM) model, but avoids many of the limitations of existing DWM implementations.« less

A program code generator for multiphysics biological simulation using markup languages.

PubMed

Amano, Akira; Kawabata, Masanari; Yamashita, Yoshiharu; Rusty Punzalan, Florencio; Shimayoshi, Takao; Kuwabara, Hiroaki; Kunieda, Yoshitoshi

2012-01-01

To cope with the complexity of the biological function simulation models, model representation with description language is becoming popular. However, simulation software itself becomes complex in these environment, thus, it is difficult to modify the simulation conditions, target computation resources or calculation methods. In the complex biological function simulation software, there are 1) model equations, 2) boundary conditions and 3) calculation schemes. Use of description model file is useful for first point and partly second point, however, third point is difficult to handle for various calculation schemes which is required for simulation models constructed from two or more elementary models. We introduce a simulation software generation system which use description language based description of coupling calculation scheme together with cell model description file. By using this software, we can easily generate biological simulation code with variety of coupling calculation schemes. To show the efficiency of our system, example of coupling calculation scheme with three elementary models are shown.

Applicability study of classical and contemporary models for effective complex permittivity of metal powders.

PubMed

Kiley, Erin M; Yakovlev, Vadim V; Ishizaki, Kotaro; Vaucher, Sebastien

2012-01-01

Microwave thermal processing of metal powders has recently been a topic of a substantial interest; however, experimental data on the physical properties of mixtures involving metal particles are often unavailable. In this paper, we perform a systematic analysis of classical and contemporary models of complex permittivity of mixtures and discuss the use of these models for determining effective permittivity of dielectric matrices with metal inclusions. Results from various mixture and core-shell mixture models are compared to experimental data for a titanium/stearic acid mixture and a boron nitride/graphite mixture (both obtained through the original measurements), and for a tungsten/Teflon mixture (from literature). We find that for certain experiments, the average error in determining the effective complex permittivity using Lichtenecker's, Maxwell Garnett's, Bruggeman's, Buchelnikov's, and Ignatenko's models is about 10%. This suggests that, for multiphysics computer models describing the processing of metal powder in the full temperature range, input data on effective complex permittivity obtained from direct measurement has, up to now, no substitute.

A Study about Kalman Filters Applied to Embedded Sensors

PubMed Central

Valade, Aurélien; Acco, Pascal; Grabolosa, Pierre; Fourniols, Jean-Yves

2017-01-01

Over the last decade, smart sensors have grown in complexity and can now handle multiple measurement sources. This work establishes a methodology to achieve better estimates of physical values by processing raw measurements within a sensor using multi-physical models and Kalman filters for data fusion. A driving constraint being production cost and power consumption, this methodology focuses on algorithmic complexity while meeting real-time constraints and improving both precision and reliability despite low power processors limitations. Consequently, processing time available for other tasks is maximized. The known problem of estimating a 2D orientation using an inertial measurement unit with automatic gyroscope bias compensation will be used to illustrate the proposed methodology applied to a low power STM32L053 microcontroller. This application shows promising results with a processing time of 1.18 ms at 32 MHz with a 3.8% CPU usage due to the computation at a 26 Hz measurement and estimation rate. PMID:29206187

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

DOE PAGES

Mahadevan, Vijay S.; Merzari, Elia; Tautges, Timothy; ...

2014-06-30

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

Validating a Model for Welding Induced Residual Stress Using High-Energy X-ray Diffraction

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

Mach, J. C.; Budrow, C. J.; Pagan, D. C.

Integrated computational materials engineering (ICME) provides a pathway to advance performance in structures through the use of physically-based models to better understand how manufacturing processes influence product performance. As one particular challenge, consider that residual stresses induced in fabrication are pervasive and directly impact the life of structures. For ICME to be an effective strategy, it is essential that predictive capability be developed in conjunction with critical experiments. In the present paper, simulation results from a multi-physics model for gas metal arc welding are evaluated through x-ray diffraction using synchrotron radiation. A test component was designed with intent to developmore » significant gradients in residual stress, be representative of real-world engineering application, yet remain tractable for finely spaced strain measurements with positioning equipment available at synchrotron facilities. Finally, the experimental validation lends confidence to model predictions, facilitating the explicit consideration of residual stress distribution in prediction of fatigue life.« less

A finite difference method for a coupled model of wave propagation in poroelastic materials.

PubMed

Zhang, Yang; Song, Limin; Deffenbaugh, Max; Toksöz, M Nafi

2010-05-01

A computational method for time-domain multi-physics simulation of wave propagation in a poroelastic medium is presented. The medium is composed of an elastic matrix saturated with a Newtonian fluid, and the method operates on a digital representation of the medium where a distinct material phase and properties are specified at each volume cell. The dynamic response to an acoustic excitation is modeled mathematically with a coupled system of equations: elastic wave equation in the solid matrix and linearized Navier-Stokes equation in the fluid. Implementation of the solution is simplified by introducing a common numerical form for both solid and fluid cells and using a rotated-staggered-grid which allows stable solutions without explicitly handling the fluid-solid boundary conditions. A stability analysis is presented which can be used to select gridding and time step size as a function of material properties. The numerical results are shown to agree with the analytical solution for an idealized porous medium of periodically alternating solid and fluid layers.

xSDK Foundations: Toward an Extreme-scale Scientific Software Development Kit

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

Heroux, Michael A.; Bartlett, Roscoe; Demeshko, Irina

Here, extreme-scale computational science increasingly demands multiscale and multiphysics formulations. Combining software developed by independent groups is imperative: no single team has resources for all predictive science and decision support capabilities. Scientific libraries provide high-quality, reusable software components for constructing applications with improved robustness and portability. However, without coordination, many libraries cannot be easily composed. Namespace collisions, inconsistent arguments, lack of third-party software versioning, and additional difficulties make composition costly. The Extreme-scale Scientific Software Development Kit (xSDK) defines community policies to improve code quality and compatibility across independently developed packages (hypre, PETSc, SuperLU, Trilinos, and Alquimia) and provides a foundationmore » for addressing broader issues in software interoperability, performance portability, and sustainability. The xSDK provides turnkey installation of member software and seamless combination of aggregate capabilities, and it marks first steps toward extreme-scale scientific software ecosystems from which future applications can be composed rapidly with assured quality and scalability.« less

xSDK Foundations: Toward an Extreme-scale Scientific Software Development Kit

DOE PAGES

Heroux, Michael A.; Bartlett, Roscoe; Demeshko, Irina; ...

2017-03-01

Here, extreme-scale computational science increasingly demands multiscale and multiphysics formulations. Combining software developed by independent groups is imperative: no single team has resources for all predictive science and decision support capabilities. Scientific libraries provide high-quality, reusable software components for constructing applications with improved robustness and portability. However, without coordination, many libraries cannot be easily composed. Namespace collisions, inconsistent arguments, lack of third-party software versioning, and additional difficulties make composition costly. The Extreme-scale Scientific Software Development Kit (xSDK) defines community policies to improve code quality and compatibility across independently developed packages (hypre, PETSc, SuperLU, Trilinos, and Alquimia) and provides a foundationmore » for addressing broader issues in software interoperability, performance portability, and sustainability. The xSDK provides turnkey installation of member software and seamless combination of aggregate capabilities, and it marks first steps toward extreme-scale scientific software ecosystems from which future applications can be composed rapidly with assured quality and scalability.« less

A simplified DEM-CFD approach for pebble bed reactor simulations

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

Li, Y.; Ji, W.

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

Fully implicit adaptive mesh refinement solver for 2D MHD

NASA Astrophysics Data System (ADS)

Philip, B.; Chacon, L.; Pernice, M.

2008-11-01

Application of implicit adaptive mesh refinement (AMR) to simulate resistive magnetohydrodynamics is described. Solving this challenging multi-scale, multi-physics problem can improve understanding of reconnection in magnetically-confined plasmas. AMR is employed to resolve extremely thin current sheets, essential for an accurate macroscopic description. Implicit time stepping allows us to accurately follow the dynamical time scale of the developing magnetic field, without being restricted by fast Alfven time scales. At each time step, the large-scale system of nonlinear equations is solved by a Jacobian-free Newton-Krylov method together with a physics-based preconditioner. Each block within the preconditioner is solved optimally using the Fast Adaptive Composite grid method, which can be considered as a multiplicative Schwarz method on AMR grids. We will demonstrate the excellent accuracy and efficiency properties of the method with several challenging reduced MHD applications, including tearing, island coalescence, and tilt instabilities. B. Philip, L. Chac'on, M. Pernice, J. Comput. Phys., in press (2008)

Challenges to Computational Aerothermodynamic Simulation and Validation for Planetary Entry Vehicle Analysis

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.; Johnston, Christopher O.; Kleb, Bil

2010-01-01

Challenges to computational aerothermodynamic (CA) simulation and validation of hypersonic flow over planetary entry vehicles are discussed. Entry, descent, and landing (EDL) of high mass to Mars is a significant driver of new simulation requirements. These requirements include simulation of large deployable, flexible structures and interactions with reaction control system (RCS) and retro-thruster jets. Simulation of radiation and ablation coupled to the flow solver continues to be a high priority for planetary entry analyses, especially for return to Earth and outer planet missions. Three research areas addressing these challenges are emphasized. The first addresses the need to obtain accurate heating on unstructured tetrahedral grid systems to take advantage of flexibility in grid generation and grid adaptation. A multi-dimensional inviscid flux reconstruction algorithm is defined that is oriented with local flow topology as opposed to grid. The second addresses coupling of radiation and ablation to the hypersonic flow solver - flight- and ground-based data are used to provide limited validation of these multi-physics simulations. The third addresses the challenges of retro-propulsion simulation and the criticality of grid adaptation in this application. The evolution of CA to become a tool for innovation of EDL systems requires a successful resolution of these challenges.

Progress in development of HEDP capabilities in FLASH's Unsplit Staggered Mesh MHD solver

NASA Astrophysics Data System (ADS)

Lee, D.; Xia, G.; Daley, C.; Dubey, A.; Gopal, S.; Graziani, C.; Lamb, D.; Weide, K.

2011-11-01

FLASH is a publicly available astrophysical community code designed to solve highly compressible multi-physics reactive flows. We are adding capabilities to FLASH that will make it an open science code for the academic HEDP community. Among many important numerical requirements, we consider the following features to be important components necessary to meet our goals for FLASH as an HEDP open toolset. First, we are developing computationally efficient time-stepping integration methods that overcome the stiffness that arises in the equations describing a physical problem when there are disparate time scales. To this end, we are adding two different time-stepping schemes to FLASH that relax the time step limit when diffusive effects are present: an explicit super-time-stepping algorithm (Alexiades et al. in Com. Num. Mech. Eng. 12:31-42, 1996) and a Jacobian-Free Newton-Krylov implicit formulation. These two methods will be integrated into a robust, efficient, and high-order accurate Unsplit Staggered Mesh MHD (USM) solver (Lee and Deane in J. Comput. Phys. 227, 2009). Second, we have implemented an anisotropic Spitzer-Braginskii conductivity model to treat thermal heat conduction along magnetic field lines. Finally, we are implementing the Biermann Battery term to account for spontaneous generation of magnetic fields in the presence of non-parallel temperature and density gradients.

CellML and associated tools and techniques.

PubMed

Garny, Alan; Nickerson, David P; Cooper, Jonathan; Weber dos Santos, Rodrigo; Miller, Andrew K; McKeever, Steve; Nielsen, Poul M F; Hunter, Peter J

2008-09-13

We have, in the last few years, witnessed the development and availability of an ever increasing number of computer models that describe complex biological structures and processes. The multi-scale and multi-physics nature of these models makes their development particularly challenging, not only from a biological or biophysical viewpoint but also from a mathematical and computational perspective. In addition, the issue of sharing and reusing such models has proved to be particularly problematic, with the published models often lacking information that is required to accurately reproduce the published results. The International Union of Physiological Sciences Physiome Project was launched in 1997 with the aim of tackling the aforementioned issues by providing a framework for the modelling of the human body. As part of this initiative, the specifications of the CellML mark-up language were released in 2001. Now, more than 7 years later, the time has come to assess the situation, in particular with regard to the tools and techniques that are now available to the modelling community. Thus, after introducing CellML, we review and discuss existing editors, validators, online repository, code generators and simulation environments, as well as the CellML Application Program Interface. We also address possible future directions including the need for additional mark-up languages.

RF Wave Simulation Using the MFEM Open Source FEM Package

NASA Astrophysics Data System (ADS)

Stillerman, J.; Shiraiwa, S.; Bonoli, P. T.; Wright, J. C.; Green, D. L.; Kolev, T.

2016-10-01

A new plasma wave simulation environment based on the finite element method is presented. MFEM, a scalable open-source FEM library, is used as the basis for this capability. MFEM allows for assembling an FEM matrix of arbitrarily high order in a parallel computing environment. A 3D frequency domain RF physics layer was implemented using a python wrapper for MFEM and a cold collisional plasma model was ported. This physics layer allows for defining the plasma RF wave simulation model without user knowledge of the FEM weak-form formulation. A graphical user interface is built on πScope, a python-based scientific workbench, such that a user can build a model definition file interactively. Benchmark cases have been ported to this new environment, with results being consistent with those obtained using COMSOL multiphysics, GENRAY, and TORIC/TORLH spectral solvers. This work is a first step in bringing to bear the sophisticated computational tool suite that MFEM provides (e.g., adaptive mesh refinement, solver suite, element types) to the linear plasma-wave interaction problem, and within more complicated integrated workflows, such as coupling with core spectral solver, or incorporating additional physics such as an RF sheath potential model or kinetic effects. USDoE Awards DE-FC02-99ER54512, DE-FC02-01ER54648.

Capture Efficiency of Biocompatible Magnetic Nanoparticles in Arterial Flow: A Computer Simulation for Magnetic Drug Targeting.

PubMed

Lunnoo, Thodsaphon; Puangmali, Theerapong

2015-12-01

The primary limitation of magnetic drug targeting (MDT) relates to the strength of an external magnetic field which decreases with increasing distance. Small nanoparticles (NPs) displaying superparamagnetic behaviour are also required in order to reduce embolization in the blood vessel. The small NPs, however, make it difficult to vector NPs and keep them in the desired location. The aims of this work were to investigate parameters influencing the capture efficiency of the drug carriers in mimicked arterial flow. In this work, we computationally modelled and evaluated capture efficiency in MDT with COMSOL Multiphysics 4.4. The studied parameters were (i) magnetic nanoparticle size, (ii) three classes of magnetic cores (Fe3O4, Fe2O3, and Fe), and (iii) the thickness of biocompatible coating materials (Au, SiO2, and PEG). It was found that the capture efficiency of small particles decreased with decreasing size and was less than 5 % for magnetic particles in the superparamagnetic regime. The thickness of non-magnetic coating materials did not significantly influence the capture efficiency of MDT. It was difficult to capture small drug carriers (D<200 nm) in the arterial flow. We suggest that the MDT with high-capture efficiency can be obtained in small vessels and low-blood velocities such as micro-capillary vessels.

An optimization-based approach for solving a time-harmonic multiphysical wave problem with higher-order schemes

NASA Astrophysics Data System (ADS)

Mönkölä, Sanna

2013-06-01

This study considers developing numerical solution techniques for the computer simulations of time-harmonic fluid-structure interaction between acoustic and elastic waves. The focus is on the efficiency of an iterative solution method based on a controllability approach and spectral elements. We concentrate on the model, in which the acoustic waves in the fluid domain are modeled by using the velocity potential and the elastic waves in the structure domain are modeled by using displacement. Traditionally, the complex-valued time-harmonic equations are used for solving the time-harmonic problems. Instead of that, we focus on finding periodic solutions without solving the time-harmonic problems directly. The time-dependent equations can be simulated with respect to time until a time-harmonic solution is reached, but the approach suffers from poor convergence. To overcome this challenge, we follow the approach first suggested and developed for the acoustic wave equations by Bristeau, Glowinski, and Périaux. Thus, we accelerate the convergence rate by employing a controllability method. The problem is formulated as a least-squares optimization problem, which is solved with the conjugate gradient (CG) algorithm. Computation of the gradient of the functional is done directly for the discretized problem. A graph-based multigrid method is used for preconditioning the CG algorithm.

Multiphysics Modeling of a Single Channel in a Nuclear Thermal Propulsion Grooved Ring Fuel Element

NASA Technical Reports Server (NTRS)

Kim, Tony; Emrich, William J., Jr.; Barkett, Laura A.; Mathias, Adam D.; Cassibry, Jason T.

2013-01-01

In the past, fuel rods have been used in nuclear propulsion applications. A new fuel element concept that reduces weight and increases efficiency uses a stack of grooved discs. Each fuel element is a flat disc with a hole on the interior and grooves across the top. Many grooved ring fuel elements for use in nuclear thermal propulsion systems have been modeled, and a single flow channel for each design has been analyzed. For increased efficiency, a fuel element with a higher surface-area-to-volume ratio is ideal. When grooves are shallower, i.e., they have a lower surface area, the results show that the exit temperature is higher. By coupling the physics of turbulence with those of heat transfer, the effects on the cooler gas flowing through the grooves of the thermally excited solid can be predicted. Parametric studies were done to show how a pressure drop across the axial length of the channels will affect the exit temperatures of the gas. Geometric optimization was done to show the behaviors that result from the manipulation of various parameters. Temperature profiles of the solid and gas showed that more structural optimization is needed to produce the desired results. Keywords: Nuclear Thermal Propulsion, Fuel Element, Heat Transfer, Computational Fluid Dynamics, Coupled Physics Computations, Finite Element Analysis