FAST TRACK COMMUNICATION: Finite-temperature magnetism in bcc Fe under compression

NASA Astrophysics Data System (ADS)

Sha, Xianwei; Cohen, R. E.

2010-09-01

We investigate the contributions of finite-temperature magnetic fluctuations to the thermodynamic properties of bcc Fe as functions of pressure. First, we apply a tight-binding total-energy model parameterized to first-principles linearized augmented plane-wave computations to examine various ferromagnetic, anti-ferromagnetic, and noncollinear spin spiral states at zero temperature. The tight-binding data are fit to a generalized Heisenberg Hamiltonian to describe the magnetic energy functional based on local moments. We then use Monte Carlo simulations to compute the magnetic susceptibility, the Curie temperature, heat capacity, and magnetic free energy. Including the finite-temperature magnetism improves the agreement with experiment for the calculated thermal expansion coefficients.

Transition in coupled replicas may not imply a finite-temperature ideal glass transition in glass-forming systems.

PubMed

Garrahan, Juan P

2014-03-01

A key open question in the glass transition field is whether a finite temperature thermodynamic transition to the glass state exists or not. Recent simulations of coupled replicas in atomistic models have found signatures of a static transition as a function of replica coupling. This can be viewed as evidence of an associated thermodynamic glass transition in the uncoupled system. We demonstrate here that a different interpretation is possible. We consider the triangular plaquette model, an interacting spin system which displays (East model-like) glassy dynamics in the absence of any static transition. We show that when two replicas are coupled, there is a curve of equilibrium phase transitions, between phases of small and large overlap, in the temperature-coupling plane (located on the self-dual line of an exact temperature-coupling duality of the system) which ends at a critical point. Crucially, in the limit of vanishing coupling the finite temperature transition disappears, and the uncoupled system is in the disordered phase at all temperatures. We discuss an interpretation of atomistic simulations in light of this result.

Temperature Scaling Law for Quantum Annealing Optimizers.

PubMed

Albash, Tameem; Martin-Mayor, Victor; Hen, Itay

2017-09-15

Physical implementations of quantum annealing unavoidably operate at finite temperatures. We point to a fundamental limitation of fixed finite temperature quantum annealers that prevents them from functioning as competitive scalable optimizers and show that to serve as optimizers annealer temperatures must be appropriately scaled down with problem size. We derive a temperature scaling law dictating that temperature must drop at the very least in a logarithmic manner but also possibly as a power law with problem size. We corroborate our results by experiment and simulations and discuss the implications of these to practical annealers.

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

Mohanty, Subhasish; Majumdar, Saurindranath

Irradiation creep plays a major role in the structural integrity of the graphite components in high temperature gas cooled reactors. Finite element procedures combined with a suitable irradiation creep model can be used to simulate the time-integrated structural integrity of complex shapes, such as the reactor core graphite reflector and fuel bricks. In the present work a comparative study was undertaken to understand the effect of linear and nonlinear irradiation creep on results of finite element based stress analysis. Numerical results were generated through finite element simulations of a typical graphite reflector.

Design Optimization of a Thermoelectric Cooling Module Using Finite Element Simulations

NASA Astrophysics Data System (ADS)

Abid, Muhammad; Somdalen, Ragnar; Rodrigo, Marina Sancho

2018-05-01

The thermoelectric industry is concerned about the size reduction, cooling performance and, ultimately, the production cost of thermoelectric modules. Optimization of the size and performance of a commercially available thermoelectric cooling module is considered using finite element simulations. Numerical simulations are performed on eight different three-dimensional geometries of a single thermocouple, and the results are further extended for a whole module as well. The maximum temperature rise at the hot and cold sides of a thermocouple is determined by altering its height and cross-sectional area. The influence of the soldering layer is analyzed numerically using temperature dependent and temperature independent thermoelectric properties of the solder material and the semiconductor pellets. Experiments are conducted to test the cooling performance of the thermoelectric module and the results are compared with the results obtained through simulations. Finally, cooling rate and maximum coefficient of performance (COPmax) are computed using convective and non-convective boundary conditions.

Emergent kink statistics at finite temperature

DOE PAGES

Lopez-Ruiz, Miguel Angel; Yepez-Martinez, Tochtli; Szczepaniak, Adam; ...

2017-07-25

In this paper we use 1D quantum mechanical systems with Higgs-like interaction potential to study the emergence of topological objects at finite temperature. Two different model systems are studied, the standard double-well potential model and a newly introduced discrete kink model. Using Monte-Carlo simulations as well as analytic methods, we demonstrate how kinks become abundant at low temperatures. These results may shed useful insights on how topological phenomena may occur in QCD.

The Overshoot Phenomenon in Geodynamics Codes

NASA Astrophysics Data System (ADS)

Kommu, R. K.; Heien, E. M.; Kellogg, L. H.; Bangerth, W.; Heister, T.; Studley, E. H.

2013-12-01

The overshoot phenomenon is a common occurrence in numerical software when a continuous function on a finite dimensional discretized space is used to approximate a discontinuous jump, in temperature and material concentration, for example. The resulting solution overshoots, and undershoots, the discontinuous jump. Numerical simulations play an extremely important role in mantle convection research. This is both due to the strong temperature and stress dependence of viscosity and also due to the inaccessibility of deep earth. Under these circumstances, it is essential that mantle convection simulations be extremely accurate and reliable. CitcomS and ASPECT are two finite element based mantle convection simulations developed and maintained by the Computational Infrastructure for Geodynamics. CitcomS is a finite element based mantle convection code that is designed to run on multiple high-performance computing platforms. ASPECT, an adaptive mesh refinement (AMR) code built on the Deal.II library, is also a finite element based mantle convection code that scales well on various HPC platforms. CitcomS and ASPECT both exhibit the overshoot phenomenon. One attempt at controlling the overshoot uses the Entropy Viscosity method, which introduces an artificial diffusion term in the energy equation of mantle convection. This artificial diffusion term is small where the temperature field is smooth. We present results from CitcomS and ASPECT that quantify the effect of the Entropy Viscosity method in reducing the overshoot phenomenon. In the discontinuous Galerkin (DG) finite element method, the test functions used in the method are continuous within each element but are discontinuous across inter-element boundaries. The solution space in the DG method is discontinuous. FEniCS is a collection of free software tools that automate the solution of differential equations using finite element methods. In this work we also present results from a finite element mantle convection simulation implemented in FEniCS that investigates the effect of using DG elements in reducing the overshoot problem.

Numerical simulation of temperature field in K9 glass irradiated by ultraviolet pulse laser

NASA Astrophysics Data System (ADS)

Wang, Xi; Fang, Xiaodong

2015-10-01

The optical component of photoelectric system was easy to be damaged by irradiation of high power pulse laser, so the effect of high power pulse laser irradiation on K9 glass was researched. A thermodynamic model of K9 glass irradiated by ultraviolet pulse laser was established using the finite element software ANSYS. The article analyzed some key problems in simulation process of ultraviolet pulse laser damage of K9 glass based on ANSYS from the finite element models foundation, meshing, loading of pulse laser, setting initial conditions and boundary conditions and setting the thermal physical parameters of material. The finite element method (FEM) model was established and a numerical analysis was performed to calculate temperature field in K9 glass irradiated by ultraviolet pulse laser. The simulation results showed that the temperature of irradiation area exceeded the melting point of K9 glass, while the incident laser energy was low. The thermal damage dominated in the damage mechanism of K9 glass, the melting phenomenon should be much more distinct.

Computer simulation of the relationship between selected properties of laser remelted tool steel surface layer

NASA Astrophysics Data System (ADS)

Bonek, Mirosław; Śliwa, Agata; Mikuła, Jarosław

2016-12-01

Investigations >The language in this paper has been slightly changed. Please check for clarity of thought, and that the meaning is still correct, and amend if necessary.include Finite Element Method simulation model of remelting of PMHSS6-5-3 high-speed steel surface layer using the high power diode laser (HPDL). The Finite Element Method computations were performed using ANSYS software. The scope of FEM simulation was determination of temperature distribution during laser alloying process at various process configurations regarding the laser beam power and method of powder deposition, as pre-coated past or surface with machined grooves. The Finite Element Method simulation was performed on five different 3-dimensional models. The model assumed nonlinear change of thermal conductivity, specific heat and density that were depended on temperature. The heating process was realized as heat flux corresponding to laser beam power of 1.4, 1.7 and 2.1 kW. Latent heat effects are considered during solidification. The molten pool is composed of the same material as the substrate and there is no chemical reaction. The absorptivity of laser energy was dependent on the simulated materials properties and their surface condition. The Finite Element Method simulation allows specifying the heat affected zone and the temperature distribution in the sample as a function of time and thus allows the estimation of the structural changes taking place during laser remelting process. The simulation was applied to determine the shape of molten pool and the penetration depth of remelted surface. Simulated penetration depth and molten pool profile have a good match with the experimental results. The depth values obtained in simulation are very close to experimental data. Regarding the shape of molten pool, the little differences have been noted. The heat flux input considered in simulation is only part of the mechanism for heating; thus, the final shape of solidified molten pool will depend on more variables.

Concurrent design of an RTP chamber and advanced control system

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

Spence, P.; Schaper, C.; Kermani, A.

1995-12-31

A concurrent-engineering approach is applied to the development of an axisymmetric rapid-thermal-processing (RTP) reactor and its associated temperature controller. Using a detailed finite-element thermal model as a surrogate for actual hardware, the authors have developed and tested a multi-input multi-output (MIMO) controller. Closed-loop simulations are performed by linking the control algorithm with the finite-element code. Simulations show that good temperature uniformity is maintained on the wafer during both steady and transient conditions. A numerical study shows the effect of ramp rate, feedback gain, sensor placement, and wafer-emissivity patterns on system performance.

Prediction of high temperature metal matrix composite ply properties

NASA Technical Reports Server (NTRS)

Caruso, J. J.; Chamis, C. C.

1988-01-01

The application of the finite element method (superelement technique) in conjunction with basic concepts from mechanics of materials theory is demonstrated to predict the thermomechanical behavior of high temperature metal matrix composites (HTMMC). The simulated behavior is used as a basis to establish characteristic properties of a unidirectional composite idealized an as equivalent homogeneous material. The ply properties predicted include: thermal properties (thermal conductivities and thermal expansion coefficients) and mechanical properties (moduli and Poisson's ratio). These properties are compared with those predicted by a simplified, analytical composite micromechanics model. The predictive capabilities of the finite element method and the simplified model are illustrated through the simulation of the thermomechanical behavior of a P100-graphite/copper unidirectional composite at room temperature and near matrix melting temperature. The advantage of the finite element analysis approach is its ability to more precisely represent the composite local geometry and hence capture the subtle effects that are dependent on this. The closed form micromechanics model does a good job at representing the average behavior of the constituents to predict composite behavior.

The hybrid RANS/LES of partially premixed supersonic combustion using G/Z flamelet model

NASA Astrophysics Data System (ADS)

Wu, Jinshui; Wang, Zhenguo; Bai, Xuesong; Sun, Mingbo; Wang, Hongbo

2016-10-01

In order to describe partially premixed supersonic combustion numerically, G/Z flamelet model is developed and compared with finite rate model in hybrid RANS/LES simulation to study the strut-injection supersonic combustion flow field designed by the German Aerospace Center. A new temperature calculation method based on time-splitting method of total energy is introduced in G/Z flamelet model. Simulation results show that temperature predictions in partially premixed zone by G/Z flamelet model are more consistent with experiment than finite rate model. It is worth mentioning that low temperature reaction zone behind the strut is well reproduced. Other quantities such as average velocity and average velocity fluctuation obtained by developed G/Z flamelet model are also in good agreement with experiment. Besides, simulation results by G/Z flamelet also reveal the mechanism of partially premixed supersonic combustion by the analyses of the interaction between turbulent burning velocity and flow field.

Finite-temperature behavior of a classical spin-orbit-coupled model for YbMgGaO4 with and without bond disorder

NASA Astrophysics Data System (ADS)

Parker, Edward; Balents, Leon

2018-05-01

We present the results of finite-temperature classical Monte Carlo simulations of a strongly spin-orbit-coupled nearest-neighbor triangular-lattice model for the candidate U (1 ) quantum spin liquid YbMgGaO4 at large system sizes. We find a single continuous finite-temperature stripe-ordering transition with slowly diverging heat capacity that completely breaks the sixfold ground-state degeneracy, despite the absence of a known conformal field theory describing such a transition. We also simulate the effect of random-bond disorder in the model, and find that even weak bond disorder destroys the transition by fragmenting the system into very large domains—possibly explaining the lack of observed ordering in the real material. The Imry-Ma argument only partially explains this fragility to disorder, and we extend the argument with a physical explanation for the preservation of our system's time-reversal symmetry even under a disorder model that preserves the same symmetry.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism.

PubMed

Liu, Donghuan; Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism

PubMed Central

Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model. PMID:29547651

Structural flexibility of the sulfur mustard molecule at finite temperature from Car-Parrinello molecular dynamics simulations.

PubMed

Lach, Joanna; Goclon, Jakub; Rodziewicz, Pawel

2016-04-05

Sulfur mustard (SM) is one of the most dangerous chemical compounds used against humans, mostly at war conditions but also in terrorist attacks. Even though the sulfur mustard has been synthesized over a hundred years ago, some of its molecular properties are not yet resolved. We investigate the structural flexibility of the SM molecule in the gas phase by Car-Parrinello molecular dynamics simulations. Thorough conformation analysis of 81 different SM configurations using density functional theory is performed to analyze the behavior of the system at finite temperature. The conformational diversity is analyzed with respect to the formation of intramolecular blue-shifting CH⋯S and CH⋯Cl hydrogen bonds. Molecular dynamics simulations indicate that all structural rearrangements between SM local minima are realized either in direct or non-direct way, including the intermediate structure in the last case. We study the lifetime of the SM conformers and perform the population analysis. Additionally, we provide the anharmonic dynamical finite temperature IR spectrum from the Fourier Transform of the dipole moment autocorrelation function to mimic the missing experimental IR spectrum. Copyright © 2015 Elsevier B.V. All rights reserved.

Viscoelastic properties of chalcogenide glasses and the simulation of their molding processes

NASA Astrophysics Data System (ADS)

Liu, Weiguo; Shen, Ping; Jin, Na

In order to simulate the precision molding process, the viscoelastic properties of chalcogenide glasses under high temperatures were investigated. Thermomechanical analysis were performed to measure and analysis the thermomechanical properties of chalcogenide glasses. The creep responses of the glasses at different temperatures were obtained. Finite element analysis was applied for the simulation of the molding processes. The simulation results were in consistence with previously reported experiment results. Stress concentration and evolution during the molding processes was also described with the simulation results.

Finite Element Modelling and Analysis of Conventional Pultrusion Processes

NASA Astrophysics Data System (ADS)

Akishin, P.; Barkanov, E.; Bondarchuk, A.

2015-11-01

Pultrusion is one of many composite manufacturing techniques and one of the most efficient methods for producing fiber reinforced polymer composite parts with a constant cross-section. Numerical simulation is helpful for understanding the manufacturing process and developing scientific means for the pultrusion tooling design. Numerical technique based on the finite element method has been developed for the simulation of pultrusion processes. It uses the general purpose finite element software ANSYS Mechanical. It is shown that the developed technique predicts the temperature and cure profiles, which are in good agreement with those published in the open literature.

Finite element simulation of cutting grey iron HT250 by self-prepared Si3N4 ceramic insert

NASA Astrophysics Data System (ADS)

Wang, Bo; Wang, Li; Zhang, Enguang

2017-04-01

The finite element method has been able to simulate and solve practical machining problems, achieve the required accuracy and the highly reliability. In this paper, the simulation models based on the material properties of the self-prepared Si3N4 insert and HT250 were created. Using these models, the results of cutting force, cutting temperature and tool wear rate were obtained, and tool wear mode was predicted after cutting simulation. These approaches may develop as the new method for testing new cutting-tool materials, shortening development cycle and reducing the cost.

Research on burnout fault of moulded case circuit breaker based on finite element simulation

NASA Astrophysics Data System (ADS)

Xue, Yang; Chang, Shuai; Zhang, Penghe; Xu, Yinghui; Peng, Chuning; Shi, Erwei

2017-09-01

In the failure event of molded case circuit breaker, overheating of the molded case near the wiring terminal has a very important proportion. The burnout fault has become an important factor restricting the development of molded case circuit breaker. This paper uses the finite element simulation software to establish the model of molded case circuit breaker by coupling multi-physics field. This model can simulate the operation and study the law of the temperature distribution. The simulation results show that the temperature near the wiring terminal, especially the incoming side of the live wire, of the molded case circuit breaker is much higher than that of the other areas. The steady-state and transient simulation results show that the temperature at the wiring terminals is abnormally increased by increasing the contact resistance of the wiring terminals. This is consistent with the frequent occurrence of burnout of the molded case in this area. Therefore, this paper holds that the burnout failure of the molded case circuit breaker is mainly caused by the abnormal increase of the contact resistance of the wiring terminal.

Superhigh moduli and tension-induced phase transition of monolayer gamma-boron at finite temperatures.

PubMed

Zhao, Junhua; Yang, Zhaoyao; Wei, Ning; Kou, Liangzhi

2016-03-16

Two dimensional (2D) gamma-boron (γ-B28) thin films have been firstly reported by the experiments of the chemical vapor deposition in the latest study. However, their mechanical properties are still not clear. Here we predict the superhigh moduli (785 ± 42 GPa at 300 K) and the tension-induced phase transition of monolayer γ-B28 along a zigzag direction for large deformations at finite temperatures using molecular dynamics (MD) simulations. The new phase can be kept stable after unloading process at these temperatures. The predicted mechanical properties are reasonable when compared with our results from density functional theory. This study provides physical insights into the origins of the new phase transition of monolayer γ-B28 at finite temperatures.

Characteristics of energy harvesting using BaTiO3/Cu laminates with changes in temperature

NASA Astrophysics Data System (ADS)

Mori, K.; Takeuchi, H.; Narita, F.

2018-03-01

The energy harvesting characteristics of piezoelectric/copper (BaTiO3/Cu) laminates rising from sharp temperature changes were investigated both numerically and experimentally. First, a phase field simulation was performed to determine the temperature-dependent piezoelectric coefficient and permittivity values. Then, the output voltages of the BaTiO3/Cu laminates were calculated for variations from room temperature to either a cryogenic temperature (77 K) or a higher temperature (333 K) using a 3D finite element simulation with the properties calculated from the phase field simulation. Finally, the output voltages of the piezoelectric BaTiO3/Cu laminates were measured for the same temperature changes and were compared to the simulation results.

Lattice QCD at finite temperature and density from Taylor expansion

NASA Astrophysics Data System (ADS)

Steinbrecher, Patrick

2017-01-01

In the first part, I present an overview of recent Lattice QCD simulations at finite temperature and density. In particular, we discuss fluctuations of conserved charges: baryon number, electric charge and strangeness. These can be obtained from Taylor expanding the QCD pressure as a function of corresponding chemical potentials. Our simulations were performed using quark masses corresponding to physical pion mass of about 140 MeV and allow a direct comparison to experimental data from ultra-relativistic heavy ion beams at hadron colliders such as the Relativistic Heavy Ion Collider at Brookhaven National Laboratory and the Large Hadron Collider at CERN. In the second part, we discuss computational challenges for current and future exascale Lattice simulations with a focus on new silicon developments from Intel and NVIDIA.

Comparison of measured and calculated temperatures for a Mach 8 hypersonic wing test structure

NASA Technical Reports Server (NTRS)

Quinn, R. D.; Fields, R. A.

1986-01-01

Structural temperatures were measured on a hypersonic wing test structure during a heating test that simulated a Mach 8 thermal environment. Measured data are compared to design calculations and temperature predictions obtained from a finite-difference thermal analysis.

Computer simulation of trails on a square lattice. II. Finite temperatures and the collapse transition

NASA Astrophysics Data System (ADS)

Meirovitch, H.; Lim, H. A.

1989-04-01

We study by the scanning simulation method trails on a square lattice at finite temperatures. This method constitutes a very efficient tool since it enables one to obtain results at many temperatures from a single sample generated at any given temperature. The tricritical temperature at which the collapse transition occurs is -ɛ/kBTt=1.086+/-0.002. The tricritical exponents of the trail shape and its free energy are, respectively, νt=0.569+/-0.008 and γt=1.133+/-0.024 (95% confidence limits). They are equal within the error bars to the exact values of self-attracting self-avoiding walks (SAW's). However, the crossover exponent φt=0.807+/-0.005 is significantly larger than the exact value 0.423 of SAW's. We also carry out a detailed scaling analysis near Tt and demonstrate that the various properties scale as predicted by theory. At sufficiently low temperatures (T<=Tt) the persistence length appears to be ~1.

High-temperature thermal treatment of the uterus

NASA Astrophysics Data System (ADS)

Ryan, Thomas P.; Xiao, Jia Hua; Chung, Juh Yun

2003-06-01

More than 200,000 hysterectomies are performed annually in the US due to abnormal uterine bleeding from excessive menstrual flow. A minimally invasive procedure has been developed using thermal treatment combined with pressure to the endometrial lining of the uterus. Results from a 3-D finite element model will be shown, as well as experimental data. Good correlation was seen between simulations and experiments. The study found similar results then temperatures were increased and times for treatment were shortened.More than 200,000 hysterectomies are performed annually in the US due to abnormal uterine bleeding from excessive menstrual flow. A minimally invasive procedure has been developed using a balloon-based thermal treatment combined with pressure to the endometrial lining of the uterus. A 3D finite element model was set up to simulate the balloon ablation device in the human uterus as used in over 150,000 patients to date. Several additional simulations were made at higher temperatures to seek alternative combinations with higher temperature and shorter time intervals for the same depth of penetration, or deeper penetration at longer times and elevated temperatures. A temperature range of 87 to 150°C was explored. The Bioheat Equation was used in the simulations to predict temperature distributions in tissue. The Damage Integral was also used to characterize the location at depth of irreversible damage in the uterus. Treatment safety issues were also analyzed as the simulations showed the depth of penetration into the myometrium, towards the serosa.

Evaluation of the parameters affecting bone temperature during drilling using a three-dimensional dynamic elastoplastic finite element model.

PubMed

Chen, Yung-Chuan; Tu, Yuan-Kun; Zhuang, Jun-Yan; Tsai, Yi-Jung; Yen, Cheng-Yo; Hsiao, Chih-Kun

2017-11-01

A three-dimensional dynamic elastoplastic finite element model was constructed and experimentally validated and was used to investigate the parameters which influence bone temperature during drilling, including the drill speed, feeding force, drill bit diameter, and bone density. Results showed the proposed three-dimensional dynamic elastoplastic finite element model can effectively simulate the temperature elevation during bone drilling. The bone temperature rise decreased with an increase in feeding force and drill speed, however, increased with the diameter of drill bit or bone density. The temperature distribution is significantly affected by the drilling duration; a lower drilling speed reduced the exposure duration, decreases the region of the thermally affected zone. The constructed model could be applied for analyzing the influence parameters during bone drilling to reduce the risk of thermal necrosis. It may provide important information for the design of drill bits and surgical drilling powers.

Coupled thermomechanical behavior of graphene using the spring-based finite element approach

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

Georgantzinos, S. K., E-mail: sgeor@mech.upatras.gr; Anifantis, N. K., E-mail: nanif@mech.upatras.gr; Giannopoulos, G. I., E-mail: ggiannopoulos@teiwest.gr

The prediction of the thermomechanical behavior of graphene using a new coupled thermomechanical spring-based finite element approach is the aim of this work. Graphene sheets are modeled in nanoscale according to their atomistic structure. Based on molecular theory, the potential energy is defined as a function of temperature, describing the interatomic interactions in different temperature environments. The force field is approached by suitable straight spring finite elements. Springs simulate the interatomic interactions and interconnect nodes located at the atomic positions. Their stiffness matrix is expressed as a function of temperature. By using appropriate boundary conditions, various different graphene configurations aremore » analyzed and their thermo-mechanical response is approached using conventional finite element procedures. A complete parametric study with respect to the geometric characteristics of graphene is performed, and the temperature dependency of the elastic material properties is finally predicted. Comparisons with available published works found in the literature demonstrate the accuracy of the proposed method.« less

Rationalizing the role of structural motif and underlying electronic structure in the finite temperature behavior of atomic clusters

NASA Astrophysics Data System (ADS)

Susan, Anju; Joshi, Kavita

2014-04-01

Melting in finite size systems is an interesting but complex phenomenon. Many factors affect melting and owing to their interdependencies it is a challenging task to rationalize their roles in the phase transition. In this work, we demonstrate how structural motif of the ground state influences melting transition in small clusters. Here, we report a case with clusters of aluminum and gallium having same number of atoms, valence electrons, and similar structural motif of the ground state but drastically different melting temperatures. We have employed Born-Oppenheimer molecular dynamics to simulate the solid-like to liquid-like transition in these clusters. Our simulations have reproduced the experimental trends fairly well. Further, the detailed analysis of isomers has brought out the role of the ground state structure and underlying electronic structure in the finite temperature behavior of these clusters. For both clusters, isomers accessible before cluster melts have striking similarities and does have strong influence of the structural motif of the ground state. Further, the shape of the heat capacity curve is similar in both the cases but the transition is more spread over for Al36 which is consistent with the observed isomerization pattern. Our simulations also suggest a way to characterize transition region on the basis of accessibility of the ground state at a specific temperature.

Finite-β Split-weight Gyrokinetic Particle Simulation of Microinstabilities

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Lee, W. W.; Lewandowski, J. L. V.

2003-10-01

The finite-β split-weight gyrokinetic particle simulation scheme [1] has been implemented in two-dimensional slab geometry for the purpose of studying the effects of high temperature electrons on microinstabilities. Drift wave instabilities and ion temperature gradient modes are studied in both shearless slab and sheared slab geometries. The linear and nonlinear evolution of these modes, as well as the physics of microtearing, is compared with the results of Reynders [2] and Cummings [3]. [1] W. W. Lee, J. L. V. Lewandowski, T. S. Hahm, and Z. Lin, Phys. Plasmas 8, 4435 (2001). [2] J. V. W. Reynders, Ph.D. thesis, Princeton University (1992). [3] J. C. Cummings, Ph.D. thesis, Princeton University (1995).

Determining the Gaussian Modulus and Edge Properties of 2D Materials: From Graphene to Lipid Bilayers

NASA Astrophysics Data System (ADS)

Zelisko, Matthew; Ahmadpoor, Fatemeh; Gao, Huajian; Sharma, Pradeep

2017-08-01

The dominant deformation behavior of two-dimensional materials (bending) is primarily governed by just two parameters: bending rigidity and the Gaussian modulus. These properties also set the energy scale for various important physical and biological processes such as pore formation, cell fission and generally, any event accompanied by a topological change. Unlike the bending rigidity, the Gaussian modulus is, however, notoriously difficult to evaluate via either experiments or atomistic simulations. In this Letter, recognizing that the Gaussian modulus and edge tension play a nontrivial role in the fluctuations of a 2D material edge, we derive closed-form expressions for edge fluctuations. Combined with atomistic simulations, we use the developed approach to extract the Gaussian modulus and edge tension at finite temperatures for both graphene and various types of lipid bilayers. Our results possibly provide the first reliable estimate of this elusive property at finite temperatures and appear to suggest that earlier estimates must be revised. In particular, we show that, if previously estimated properties are employed, the graphene-free edge will exhibit unstable behavior at room temperature. Remarkably, in the case of graphene, we show that the Gaussian modulus and edge tension even change sign at finite temperatures.

Dynamical Core in Atmospheric Model Does Matter in the Simulation of Arctic Climate

NASA Astrophysics Data System (ADS)

Jun, Sang-Yoon; Choi, Suk-Jin; Kim, Baek-Min

2018-03-01

Climate models using different dynamical cores can simulate significantly different winter Arctic climates even if equipped with virtually the same physics schemes. Current climate simulated by the global climate model using cubed-sphere grid with spectral element method (SE core) exhibited significantly warmer Arctic surface air temperature compared to that using latitude-longitude grid with finite volume method core. Compared to the finite volume method core, SE core simulated additional adiabatic warming in the Arctic lower atmosphere, and this was consistent with the eddy-forced secondary circulation. Downward longwave radiation further enhanced Arctic near-surface warming with a higher surface air temperature of about 1.9 K. Furthermore, in the atmospheric response to the reduced sea ice conditions with the same physical settings, only the SE core showed a robust cooling response over North America. We emphasize that special attention is needed in selecting the dynamical core of climate models in the simulation of the Arctic climate and associated teleconnection patterns.

Numerical simulation of hypersonic inlet flows with equilibrium or finite rate chemistry

NASA Technical Reports Server (NTRS)

Yu, Sheng-Tao; Hsieh, Kwang-Chung; Shuen, Jian-Shun; Mcbride, Bonnie J.

1988-01-01

An efficient numerical program incorporated with comprehensive high temperature gas property models has been developed to simulate hypersonic inlet flows. The computer program employs an implicit lower-upper time marching scheme to solve the two-dimensional Navier-Stokes equations with variable thermodynamic and transport properties. Both finite-rate and local-equilibrium approaches are adopted in the chemical reaction model for dissociation and ionization of the inlet air. In the finite rate approach, eleven species equations coupled with fluid dynamic equations are solved simultaneously. In the local-equilibrium approach, instead of solving species equations, an efficient chemical equilibrium package has been developed and incorporated into the flow code to obtain chemical compositions directly. Gas properties for the reaction products species are calculated by methods of statistical mechanics and fit to a polynomial form for C(p). In the present study, since the chemical reaction time is comparable to the flow residence time, the local-equilibrium model underpredicts the temperature in the shock layer. Significant differences of predicted chemical compositions in shock layer between finite rate and local-equilibrium approaches have been observed.

Numerical analysis of thermal drilling technique on titanium sheet metal

NASA Astrophysics Data System (ADS)

Kumar, R.; Hynes, N. Rajesh Jesudoss

2018-05-01

Thermal drilling is a technique used in drilling of sheet metal for various applications. It involves rotating conical tool with high speed in order to drill the sheet metal and formed a hole with bush below the surface of sheet metal. This article investigates the finite element analysis of thermal drilling on Ti6Al4Valloy sheet metal. This analysis was carried out by means of DEFORM-3D simulation software to simulate the performance characteristics of thermal drilling technique. Due to the contribution of high temperature deformation in this technique, the output performances which are difficult to measure by the experimental approach, can be successfully achieved by finite element method. Therefore, the modeling and simulation of thermal drilling is an essential tool to predict the strain rate, stress distribution and temperature of the workpiece.

Defect characterization by inductive heated thermography

NASA Astrophysics Data System (ADS)

Noethen, Matthias; Meyendorf, Norbert

2012-05-01

During inductive-thermographic inspection, an eddy current of high intensity is induced into the inspected material and the thermal response is detected by an infrared camera. Anomalies in the surface temperature during and after inductive heating correspond to inhomogeneities in the material. A finite element simulation of the surface crack detection process using active thermography with inductive heating has been developed. The simulation model is based on the finite element software ANSYS. The simulation tool was tested and used for investigations on steel components with different longitudinal orientated cracks, varying in shape, width and height. This paper focuses on surface connected longitudinal orientated cracks in austenitic steel. The results show that depending on the excitation frequency the temperature distribution of the material under test are different and a possible way to measure the depth of the crack will be discussed.

Effect of pairwise additivity on finite-temperature behavior of classical ideal gas

NASA Astrophysics Data System (ADS)

Shekaari, Ashkan; Jafari, Mahmoud

2018-05-01

Finite-temperature molecular dynamics simulations have been applied to inquire into the effect of pairwise additivity on the behavior of classical ideal gas within the temperature range of T = 250-4000 K via applying a variety of pair potentials and then examining the temperature dependence of a number of thermodynamical properties. Examining the compressibility factor reveals the most deviation from ideal-gas behavior for the Lennard-Jones system mainly due to the presence of both the attractive and repulsive terms. The systems with either attractive or repulsive intermolecular potentials are found to present no resemblance to real gases, but the most similarity to the ideal one as temperature rises.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Analysis and finite element simulation of electromagnetic heating in the nitride MOCVD reactor

NASA Astrophysics Data System (ADS)

Li, Zhi-Ming; Hao, Yue; Zhang, Jin-Cheng; Xu, Sheng-Rui; Ni, Jin-Yu; Zhou, Xiao-Wei

2009-11-01

Electromagnetic field distribution in the vertical metal organic chemical vapour deposition (MOCVD) reactor is simulated by using the finite element method (FEM). The effects of alternating current frequency, intensity, coil turn number and the distance between the coil turns on the distribution of the Joule heat are analysed separately, and their relations to the value of Joule heat are also investigated. The temperature distribution on the susceptor is also obtained. It is observed that the results of the simulation are in good agreement with previous measurements.

Spectral functions at small energies and the electrical conductivity in hot quenched lattice QCD.

PubMed

Aarts, Gert; Allton, Chris; Foley, Justin; Hands, Simon; Kim, Seyong

2007-07-13

In lattice QCD, the maximum entropy method can be used to reconstruct spectral functions from Euclidean correlators obtained in numerical simulations. We show that at finite temperature the most commonly used algorithm, employing Bryan's method, is inherently unstable at small energies and gives a modification that avoids this. We demonstrate this approach using the vector current-current correlator obtained in quenched QCD at finite temperature. Our first results indicate a small electrical conductivity above the deconfinement transition.

Ab Initio Simulations of Temperature Dependent Phase Stability and Martensitic Transitions in NiTi

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Thompson, Alexander E.; Lawson, John W.

2016-01-01

For NiTi based alloys, the shape memory effect is governed by a transition from a low-temperature martensite phase to a high-temperature austenite phase. Despite considerable experimental and computational work, basic questions regarding the stability of the phases and the martensitic phase transition remain unclear even for the simple case of binary, equiatomic NiTi. We perform ab initio molecular dynamics simulations to describe the temperature-dependent behavior of NiTi and resolve several of these outstanding issues. Structural correlation functions and finite temperature phonon spectra are evaluated to determine phase stability. In particular, we show that finite temperature, entropic effects stabilize the experimentally observed martensite (B19') and austenite (B2) phases while destabilizing the theoretically predicted (B33) phase. Free energy computations based on ab initio thermodynamic integration confirm these results and permit estimates of the transition temperature between the phases. In addition to the martensitic phase transition, we predict a new transition between the B33 and B19' phases. The role of defects in suppressing these phase transformations is discussed.

Verification and rectification of the physical analogy of simulated annealing for the solution of the traveling salesman problem.

PubMed

Hasegawa, M

2011-03-01

The aim of the present study is to elucidate how simulated annealing (SA) works in its finite-time implementation by starting from the verification of its conventional optimization scenario based on equilibrium statistical mechanics. Two and one supplementary experiments, the design of which is inspired by concepts and methods developed for studies on liquid and glass, are performed on two types of random traveling salesman problems. In the first experiment, a newly parameterized temperature schedule is introduced to simulate a quasistatic process along the scenario and a parametric study is conducted to investigate the optimization characteristics of this adaptive cooling. In the second experiment, the search trajectory of the Metropolis algorithm (constant-temperature SA) is analyzed in the landscape paradigm in the hope of drawing a precise physical analogy by comparison with the corresponding dynamics of glass-forming molecular systems. These two experiments indicate that the effectiveness of finite-time SA comes not from equilibrium sampling at low temperature but from downward interbasin dynamics occurring before equilibrium. These dynamics work most effectively at an intermediate temperature varying with the total search time and thus this effective temperature is identified using the Deborah number. To test directly the role of these relaxation dynamics in the process of cooling, a supplementary experiment is performed using another parameterized temperature schedule with a piecewise variable cooling rate and the effect of this biased cooling is examined systematically. The results show that the optimization performance is not only dependent on but also sensitive to cooling in the vicinity of the above effec-tive temperature and that this feature is interpreted as a consequence of the presence or absence of the workable interbasin dynamics. It is confirmed for the present instances that the effectiveness of finite-time SA derives from the glassy relaxation dynamics occurring in the "landscape-influenced" temperature regime and that its naive optimization scenario should be rectified by considering the analogy with vitrification phenomena. A comprehensive guideline for the design of finite-time SA and SA-related algorithms is discussed on the basis of this rectified analogy.

Dark-soliton dynamics in Bose-Einstein condensates at finite temperature

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

Jackson, B.; Proukakis, N. P.; Barenghi, C. F.

2007-05-15

The dynamics of a dark soliton in an elongated Bose-Einstein condensate is studied at finite temperatures. In addition to accurately reproducing all stages of the decay of the soliton observed in the experiment of Burger et al. [Phys. Rev. Lett. 83, 5198 (1999)], our numerical simulations reveal the existence of an experimentally accessible parameter regime for which phase-imprinted dark solitons can execute at least one full axial oscillation prior to their decay. The dependence of the decay time scale on temperature and initial soliton depth is analyzed and the role of interatomic collisions quantified.

Finite temperature m=0 upper-hybrid modes in a non-neutral plasma, theory and simulation.

NASA Astrophysics Data System (ADS)

Hart, Grant W.; Takeshi Nakata, M.; Spencer, Ross L.

2007-11-01

Axisymmetric upper-hybrid oscillations have been known to exist in non-neutral plasmas and FTICR/MS devices for a number of years^1,2. However, because they are electrostatic in nature and axisymmetric, they are self-shielding and therefore difficult to detect in long systems. Previous theoretical studies have assumed a zero temperature plasma. In the zero temperature limit these oscillations are not properly represented as a mode, because the frequency at a given radius depends only on the local density and is not coupled to neighboring radii, much like the zero temperature plasma oscillation. Finite temperature provides the coupling which links the oscillation into a coherent mode. We have analyzed the finite-temperature theory of these modes and find that they form an infinite set of modes with frequencies above 2̂c- 2̂p. For a constant density plasma the eigenmodes are Bessel functions. For a more general plasma the eigenmodes must be numerically calculated. We have simulated these modes in our r-θ particle-in-cell code that includes a full Lorentz-force mover^3 and find that the eigenmodes correspond well with the theory.^1 J.J. Bollinger, et al., Phys. Rev. A 48, 525 (1993).^2 S.E. Barlow, et al., Int. J. Mass Spectrom. Ion Processes 74, 97 (1986).^3 M. Takeshi Nakata, et al., Bull. Am. Phys. Soc. 51, 245 (2006).

Finite temperature m=0 Bernstein modes in a non-neutral plasma, theory and simulation

NASA Astrophysics Data System (ADS)

Hart, Grant W.; Spencer, Ross L.; Takeshi Nakata, M.

2008-11-01

Axisymmetric upper-hybrid oscillations have been known to exist in non-neutral plasmas and FTICR/MS devices for a number of years. However, because they are electrostatic in nature and axisymmetric, they are self-shielding and therefore difficult to detect in long systems. Previous theoretical studies have assumed a zero temperature plasma. In the zero temperature limit these oscillations are not properly represented as a mode, because the frequency at a given radius depends only on the local density and is not coupled to neighboring radii, much like the zero temperature plasma oscillation. Finite temperature provides the coupling which links the oscillation into a coherent mode. We have analyzed the finite-temperature theory of these modes and find that they form an infinite set of modes with frequencies above 2̂c- 2̂p. We have simulated these modes in our r-θ particle-in-cell code that includes a full Lorentz-force mover and find that in a mostly flat-top plasma there are two eigenmodes that have essentially the same shape in the bulk of the plasma, but different frequencies. It appears likely that they have different boundary conditions in the boundary region. J.J. Bollinger, et al., Phys. Rev. A 48, 525 (1993). S.E. Barlow, et al., Int. J. Mass Spectrom. Ion Processes 74, 97 (1986). M. Takeshi Nakata, et al., Bull. Am. Phys. Soc. 51, 245 (2006).

SutraPlot, a graphical post-processor for SUTRA, a model for ground-water flow with solute or energy transport

USGS Publications Warehouse

Souza, W.R.

1999-01-01

This report documents a graphical display post-processor (SutraPlot) for the U.S. Geological Survey Saturated-Unsaturated flow and solute or energy TRAnsport simulation model SUTRA, Version 2D3D.1. This version of SutraPlot is an upgrade to SutraPlot for the 2D-only SUTRA model (Souza, 1987). It has been modified to add 3D functionality, a graphical user interface (GUI), and enhanced graphic output options. Graphical options for 2D SUTRA (2-dimension) simulations include: drawing the 2D finite-element mesh, mesh boundary, and velocity vectors; plots of contours for pressure, saturation, concentration, and temperature within the model region; 2D finite-element based gridding and interpolation; and 2D gridded data export files. Graphical options for 3D SUTRA (3-dimension) simulations include: drawing the 3D finite-element mesh; plots of contours for pressure, saturation, concentration, and temperature in 2D sections of the 3D model region; 3D finite-element based gridding and interpolation; drawing selected regions of velocity vectors (projected on principal coordinate planes); and 3D gridded data export files. Installation instructions and a description of all graphic options are presented. A sample SUTRA problem is described and three step-by-step SutraPlot applications are provided. In addition, the methodology and numerical algorithms for the 2D and 3D finite-element based gridding and interpolation, developed for SutraPlot, are described. 1

Dynamical transition for a particle in a squared Gaussian potential

NASA Astrophysics Data System (ADS)

Touya, C.; Dean, D. S.

2007-02-01

We study the problem of a Brownian particle diffusing in finite dimensions in a potential given by ψ = phi2/2 where phi is Gaussian random field. Exact results for the diffusion constant in the high temperature phase are given in one and two dimensions and it is shown to vanish in a power-law fashion at the dynamical transition temperature. Our results are confronted with numerical simulations where the Gaussian field is constructed, in a standard way, as a sum over random Fourier modes. We show that when the number of Fourier modes is finite the low temperature diffusion constant becomes non-zero and has an Arrhenius form. Thus we have a simple model with a fully understood finite size scaling theory for the dynamical transition. In addition we analyse the nature of the anomalous diffusion in the low temperature regime and show that the anomalous exponent agrees with that predicted by a trap model.

Room-Temperature Charpy Impact Property of 3D-Printed 15-5 Stainless Steel

NASA Astrophysics Data System (ADS)

Sagar, Sugrim; Zhang, Yi; Wu, Linmin; Park, Hye-Young; Lee, Je-Hyun; Jung, Yeon-Gil; Zhang, Jing

2018-01-01

In this study, the room-temperature Charpy impact property of 3D-printed 15-5 stainless steel was investigated by a combined experimental and finite element modeling approach. The experimentally measured impact energy is 10.85 ± 1.20 J/cm2, which is comparable to the conventionally wrought and non-heat treated 15-5 stainless steel. In parallel to the impact test experiment, a finite element model using the Johnson-Cook material model with damage parameters was developed to simulate the impact test. The simulated impact energy is 10.46 J/cm2, which is in good agreement with the experimental data. The fracture surface from the experimentally tested specimen suggests that the 3D-printed specimens undergo predominately brittle fracture.

Wang-Landau method for calculating Rényi entropies in finite-temperature quantum Monte Carlo simulations.

PubMed

Inglis, Stephen; Melko, Roger G

2013-01-01

We implement a Wang-Landau sampling technique in quantum Monte Carlo (QMC) simulations for the purpose of calculating the Rényi entanglement entropies and associated mutual information. The algorithm converges an estimate for an analog to the density of states for stochastic series expansion QMC, allowing a direct calculation of Rényi entropies without explicit thermodynamic integration. We benchmark results for the mutual information on two-dimensional (2D) isotropic and anisotropic Heisenberg models, a 2D transverse field Ising model, and a three-dimensional Heisenberg model, confirming a critical scaling of the mutual information in cases with a finite-temperature transition. We discuss the benefits and limitations of broad sampling techniques compared to standard importance sampling methods.

Complex Langevin simulation of chiral symmetry restoration at finite baryonic density

NASA Astrophysics Data System (ADS)

Ilgenfritz, Ernst-Michael

1986-12-01

A recently proposed effective SU(3) spin model with chiral order parameter is studied by means of the complex Langevin equation. A first-order chiral symmetry restoring and deconfining transition is observed at sufficiently low temperature at finite baryonic density. Permanent address: Sektion Physik, Karl-Marx Universität, DDR-7010 Leipzig, German Democratic Republic.

Experimentally validated finite element model of electrocaloric multilayer ceramic structures

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

Smith, N. A. S., E-mail: nadia.smith@npl.co.uk, E-mail: maciej.rokosz@npl.co.uk, E-mail: tatiana.correia@npl.co.uk; Correia, T. M., E-mail: nadia.smith@npl.co.uk, E-mail: maciej.rokosz@npl.co.uk, E-mail: tatiana.correia@npl.co.uk; Rokosz, M. K., E-mail: nadia.smith@npl.co.uk, E-mail: maciej.rokosz@npl.co.uk, E-mail: tatiana.correia@npl.co.uk

2014-07-28

A novel finite element model to simulate the electrocaloric response of a multilayer ceramic capacitor (MLCC) under real environment and operational conditions has been developed. The two-dimensional transient conductive heat transfer model presented includes the electrocaloric effect as a source term, as well as accounting for radiative and convective effects. The model has been validated with experimental data obtained from the direct imaging of MLCC transient temperature variation under application of an electric field. The good agreement between simulated and experimental data, suggests that the novel experimental direct measurement methodology and the finite element model could be used to supportmore » the design of optimised electrocaloric units and operating conditions.« less

Stochastic series expansion simulation of the t -V model

NASA Astrophysics Data System (ADS)

Wang, Lei; Liu, Ye-Hua; Troyer, Matthias

2016-04-01

We present an algorithm for the efficient simulation of the half-filled spinless t -V model on bipartite lattices, which combines the stochastic series expansion method with determinantal quantum Monte Carlo techniques widely used in fermionic simulations. The algorithm scales linearly in the inverse temperature, cubically with the system size, and is free from the time-discretization error. We use it to map out the finite-temperature phase diagram of the spinless t -V model on the honeycomb lattice and observe a suppression of the critical temperature of the charge-density-wave phase in the vicinity of a fermionic quantum critical point.

Temperature distribution of thick thermoset composites

NASA Astrophysics Data System (ADS)

Guo, Zhan-Sheng; Du, Shanyi; Zhang, Boming

2004-05-01

The development of temperature distribution of thick polymeric matrix laminates during an autoclave vacuum bag process was measured and compared with numerically calculated results. The finite element formulation of the transient heat transfer problem was carried out for polymeric matrix composite materials from the heat transfer differential equations including internal heat generation produced by exothermic chemical reactions. Software based on the general finite element software package was developed for numerical simulation of the entire composite process. From the experimental and numerical results, it was found that the measured temperature profiles were in good agreement with the numerical ones, and conventional cure cycles recommended by prepreg manufacturers for thin laminates should be modified to prevent temperature overshoot.

Numerical Simulation of a Solar Domestic Hot Water System

NASA Astrophysics Data System (ADS)

Mongibello, L.; Bianco, N.; Di Somma, M.; Graditi, G.; Naso, V.

2014-11-01

An innovative transient numerical model is presented for the simulation of a solar Domestic Hot Water (DHW) system. The solar collectors have been simulated by using a zerodimensional analytical model. The temperature distributions in the heat transfer fluid and in the water inside the tank have been evaluated by one-dimensional models. The reversion elimination algorithm has been used to include the effects of natural convection among the water layers at different heights in the tank on the thermal stratification. A finite difference implicit scheme has been implemented to solve the energy conservation equation in the coil heat exchanger, and the energy conservation equation in the tank has been solved by using the finite difference Euler implicit scheme. Energy conservation equations for the solar DHW components models have been coupled by means of a home-made implicit algorithm. Results of the simulation performed using as input data the experimental values of the ambient temperature and the solar irradiance in a summer day are presented and discussed.

Application of the Finite Elemental Analysis to Modeling Temperature Change of the Vaccine in an Insulated Packaging Container during Transport.

PubMed

Ge, Changfeng; Cheng, Yujie; Shen, Yan

2013-01-01

This study demonstrated an attempt to predict temperatures of a perishable product such as vaccine inside an insulated packaging container during transport through finite element analysis (FEA) modeling. In order to use the standard FEA software for simulation, an equivalent heat conduction coefficient is proposed and calculated to describe the heat transfer of the air trapped inside the insulated packaging container. The three-dimensional, insulated packaging container is regarded as a combination of six panels, and the heat flow at each side panel is a one-dimension diffusion process. The transit-thermal analysis was applied to simulate the heat transition process from ambient environment to inside the container. Field measurements were carried out to collect the temperature during transport, and the collected data were compared to the FEA simulation results. Insulated packaging containers are used to transport temperature-sensitive products such as vaccine and other pharmaceutical products. The container is usually made of an extruded polystyrene foam filled with gel packs. World Health Organization guidelines recommend that all vaccines except oral polio vaccine be distributed in an environment where the temperature ranges between +2 to +8 °C. The primary areas of concern in designing the packaging for vaccine are how much of the foam thickness and gel packs should be used in order to keep the temperature in a desired range, and how to prevent the vaccine from exposure to freezing temperatures. This study uses numerical simulation to predict temperature change within an insulated packaging container in vaccine cold chain. It is our hope that this simulation will provide the vaccine industries with an alternative engineering tool to validate vaccine packaging and project thermal equilibrium within the insulated packaging container.

Potential of energy harvesting in barium titanate based laminates from room temperature to cryogenic/high temperatures: measurements and linking phase field and finite element simulations

NASA Astrophysics Data System (ADS)

Narita, Fumio; Fox, Marina; Mori, Kotaro; Takeuchi, Hiroki; Kobayashi, Takuya; Omote, Kenji

2017-11-01

This paper studies the energy harvesting characteristics of piezoelectric laminates consisting of barium titanate (BaTiO3) and copper (Cu) from room temperature to cryogenic/high temperatures both experimentally and numerically. First, the output voltages of the piezoelectric BaTiO3/Cu laminates were measured from room temperature to a cryogenic temperature (77 K). The output power was evaluated for various values of load resistance. The results showed that the maximum output power density is approximately 2240 nW cm-3. The output voltages of the BaTiO3/Cu laminates were also measured from room temperature to a higher temperature (333 K). To discuss the output voltages of the BaTiO3/Cu laminates due to temperature changes, phase field and finite element simulations were combined. A phase field model for grain growth was used to generate grain structures. The phase field model was then employed for BaTiO3 polycrystals, coupled with the time-dependent Ginzburg-Landau theory and the oxygen vacancies diffusion, to calculate the temperature-dependent piezoelectric coefficient and permittivity. Using these properties, the output voltages of the BaTiO3/Cu laminates from room temperature to both 77 K and 333 K were analyzed by three dimensional finite element methods, and the results are presented for several grain sizes and oxygen vacancy densities. It was found that electricity in the BaTiO3 ceramic layer is generated not only through the piezoelectric effect caused by a thermally induced bending stress but also by the temperature dependence of the BaTiO3 piezoelectric coefficient and permittivity.

Finite Element Simulation of Temperature and Strain Distribution during Friction Stir Welding of AA2024 Aluminum Alloy

NASA Astrophysics Data System (ADS)

Jain, Rahul; Pal, Surjya Kanta; Singh, Shiv Brat

2017-02-01

Friction Stir Welding (FSW) is a solid state joining process and is handy for welding aluminum alloys. Finite Element Method (FEM) is an important tool to predict state variables of the process but numerical simulation of FSW is highly complex due to non-linear contact interactions between tool and work piece and interdependency of displacement and temperature. In the present work, a three dimensional coupled thermo-mechanical method based on Lagrangian implicit method is proposed to study the thermal history, strain distribution and thermo-mechanical process in butt welding of Aluminum alloy 2024 using DEFORM-3D software. Workpiece is defined as rigid-visco plastic material and sticking condition between tool and work piece is defined. Adaptive re-meshing is used to tackle high mesh distortion. Effect of tool rotational and welding speed on plastic strain is studied and insight is given on asymmetric nature of FSW process. Temperature distribution on the workpiece and tool is predicted and maximum temperature is found in workpiece top surface.

Ab initio calculation of finite-temperature charmonium potentials

NASA Astrophysics Data System (ADS)

Evans, P. W. M.; Allton, C. R.; Skullerud, J.-I.

2014-04-01

The interquark potential in charmonium states is calculated in both the zero and nonzero temperature phases from a first-principles lattice QCD calculation. Simulations with two dynamical quark flavors are used with temperatures T in the range 0.4Tc≲T≲1.7Tc, where Tc is the deconfining temperature. The correlators of point-split operators are analyzed to gain spatial information about the charmonium states. A method introduced by the HAL QCD Collaboration and based on the Schrödinger equation is applied to obtain the interquark potential. We find a clear temperature dependence with the central potential agreeing with the Cornell potential in the confined phase and becoming flatter (more screened) as the temperature increases past the deconfining temperature. This is the first time the interquark potential has been calculated for realistic quarks at finite temperature.

The Finite-Size Scaling Relation for the Order-Parameter Probability Distribution of the Six-Dimensional Ising Model

NASA Astrophysics Data System (ADS)

Merdan, Ziya; Karakuş, Özlem

2016-11-01

The six dimensional Ising model with nearest-neighbor pair interactions has been simulated and verified numerically on the Creutz Cellular Automaton by using five bit demons near the infinite-lattice critical temperature with the linear dimensions L=4,6,8,10. The order parameter probability distribution for six dimensional Ising model has been calculated at the critical temperature. The constants of the analytical function have been estimated by fitting to probability function obtained numerically at the finite size critical point.

Finite Element Analysis of Interaction of Laser Beam with Material in Laser Metal Powder Bed Fusion Process.

PubMed

Fu, Guang; Zhang, David Z; He, Allen N; Mao, Zhongfa; Zhang, Kaifei

2018-05-10

A deep understanding of the laser-material interaction mechanism, characterized by laser absorption, is very important in simulating the laser metal powder bed fusion (PBF) process. This is because the laser absorption of material affects the temperature distribution, which influences the thermal stress development and the final quality of parts. In this paper, a three-dimensional finite element analysis model of heat transfer taking into account the effect of material state and phase changes on laser absorption is presented to gain insight into the absorption mechanism, and the evolution of instantaneous absorptance in the laser metal PBF process. The results showed that the instantaneous absorptance was significantly affected by the time of laser radiation, as well as process parameters, such as hatch space, scanning velocity, and laser power, which were consistent with the experiment-based findings. The applicability of this model to temperature simulation was demonstrated by a comparative study, wherein the peak temperature in fusion process was simulated in two scenarios, with and without considering the effect of material state and phase changes on laser absorption, and the simulated results in the two scenarios were then compared with experimental data respectively.

3D highly heterogeneous thermal model of pineal gland in-vitro study for electromagnetic exposure using finite volume method

NASA Astrophysics Data System (ADS)

Cen, Wei; Hoppe, Ralph; Lu, Rongbo; Cai, Zhaoquan; Gu, Ning

2017-08-01

In this paper, the relationship between electromagnetic power absorption and temperature distributions inside highly heterogeneous biological samples was accurately determinated using finite volume method. An in-vitro study on pineal gland that is responsible for physiological activities was for the first time simulated to illustrate effectiveness of the proposed method.

Finite element design for the HPHT synthesis of diamond

NASA Astrophysics Data System (ADS)

Li, Rui; Ding, Mingming; Shi, Tongfei

2018-06-01

The finite element method is used to simulate the steady-state temperature field in diamond synthesis cell. The 2D and 3D models of the China-type cubic press with large deformation of the synthesis cell was established successfully, which has been verified by situ measurements of synthesis cell. The assembly design, component design and process design for the HPHT synthesis of diamond based on the finite element simulation were presented one by one. The temperature field in a high-pressure synthetic cavity for diamond production is optimized by adjusting the cavity assembly. A series of analysis about the influence of the pressure media parameters on the temperature field are examined through adjusting the model parameters. Furthermore, the formation mechanism of wasteland was studied in detail. It indicates that the wasteland is inevitably exists in the synthesis sample, the distribution of growth region of the diamond with hex-octahedral is move to the center of the synthesis sample from near the heater as the power increasing, and the growth conditions of high quality diamond is locating at the center of the synthesis sample. These works can offer suggestion and advice to the development and optimization of a diamond production process.

Prediction of the Grain-Microstructure Evolution Within a Friction Stir Welding (FSW) Joint via the Use of the Monte Carlo Simulation Method

NASA Astrophysics Data System (ADS)

Grujicic, M.; Ramaswami, S.; Snipes, J. S.; Avuthu, V.; Galgalikar, R.; Zhang, Z.

2015-09-01

A thermo-mechanical finite element analysis of the friction stir welding (FSW) process is carried out and the evolution of the material state (e.g., temperature, the extent of plastic deformation, etc.) monitored. Subsequently, the finite-element results are used as input to a Monte-Carlo simulation algorithm in order to predict the evolution of the grain microstructure within different weld zones, during the FSW process and the subsequent cooling of the material within the weld to room temperature. To help delineate different weld zones, (a) temperature and deformation fields during the welding process, and during the subsequent cooling, are monitored; and (b) competition between the grain growth (driven by the reduction in the total grain-boundary surface area) and dynamic-recrystallization grain refinement (driven by the replacement of highly deformed material with an effectively "dislocation-free" material) is simulated. The results obtained clearly revealed that different weld zones form as a result of different outcomes of the competition between the grain growth and grain refinement processes.

Length and temperature dependence of the mechanical properties of finite-size carbyne

NASA Astrophysics Data System (ADS)

Yang, Xueming; Huang, Yanhui; Cao, Bingyang; To, Albert C.

2017-09-01

Carbyne is an ideal one-dimensional conductor and the thinnest interconnection in an ultimate nano-device and it requires an understanding of the mechanical properties that affect device performance and reliability. Here, we report the mechanical properties of finite-size carbyne, obtained by a molecular dynamics simulation study based on the adaptive intermolecular reactive empirical bond order potential. To avoid confusion in assigning the effective cross-sectional area of carbyne, the value of the effective cross-sectional area of carbyne (4.148 Å2) was deduced via experiment and adopted in our study. Ends-constraints effects on the ultimate stress (maximum force) of the carbyne chains are investigated, revealing that the molecular dynamics simulation results agree very well with the experimental results. The ultimate strength, Young's Modulus and maximum strain of carbyne are rather sensitive to the temperature and all decrease with the temperature. Opposite tendencies of the length dependence of the overall ultimate strength and maximum strain of carbyne at room temperature and very low temperature have been found, and analyses show that this originates in the ends effect of carbyne.

Flow adjustment inside large finite-size wind farms approaching the infinite wind farm regime

NASA Astrophysics Data System (ADS)

Wu, Ka Ling; Porté-Agel, Fernando

2017-04-01

Due to the increasing number and the growing size of wind farms, the distance among them continues to decrease. Thus, it is necessary to understand how these large finite-size wind farms and their wakes could interfere the atmospheric boundary layer (ABL) dynamics and adjacent wind farms. Fully-developed flow inside wind farms has been extensively studied through numerical simulations of infinite wind farms. The transportation of momentum and energy is only vertical and the advection of them is neglected in these infinite wind farms. However, less attention has been paid to examine the length of wind farms required to reach such asymptotic regime and the ABL dynamics in the leading and trailing edges of the large finite-size wind farms. Large eddy simulations are performed in this study to investigate the flow adjustment inside large finite-size wind farms in conventionally-neutral boundary layer with the effect of Coriolis force and free-atmosphere stratification from 1 to 5 K/km. For the large finite-size wind farms considered in the present work, when the potential temperature lapse rate is 5 K/km, the wind farms exceed the height of the ABL by two orders of magnitude for the incoming flow inside the farms to approach the fully-developed regime. An entrance fetch of approximately 40 times of the ABL height is also required for such flow adjustment. At the fully-developed flow regime of the large finite-size wind farms, the flow characteristics match those of infinite wind farms even though they have different adjustment length scales. The role of advection at the entrance and exit regions of the large finite-size wind farms is also examined. The interaction between the internal boundary layer developed above the large finite-size wind farms and the ABL under different potential temperature lapse rates are compared. It is shown that the potential temperature lapse rate plays a role in whether the flow inside the large finite-size wind farms adjusts to the fully-developed flow regime. The flow characteristics of the wake of these large finite-size wind farms are reported to forecast the effect of large finite-size wind farms on adjacent wind farms. A power deficit as large as 8% is found at a distance of 10 km downwind from the large finite-size wind farms.

Numerical simulation of temperature distribution in cylindrical ilmenite (FeTiO3) due to microwave heating

NASA Astrophysics Data System (ADS)

Hidayat, Mas Irfan P.; Fellicia, Dian Mughni; Rafandi, Ferdiansyah Iqbal

2018-04-01

Microwave assisted heating has been extensively used in materials processing particularly in extraction of TiO2 from Ilmenite (FeTiO3) minerals. Nevertheless, this method could generate non-uniform temperature distribution during the heating process. The observation of this phenomena in cylindrical ilmenite has been conducted by numerical simulation using finite element method according to the Poynthing's theorem. Four different cylinders with variation on its height were simulated in ANSYS 17 with input microwave power of 5.5 Kw. The results indicated that height of heated object could vigorously influence the uniformity of temperature inside the body.

Quark structure of static correlators in high temperature QCD

NASA Astrophysics Data System (ADS)

Bernard, Claude; DeGrand, Thomas A.; DeTar, Carleton; Gottlieb, Steven; Krasnitz, A.; Ogilvie, Michael C.; Sugar, R. L.; Toussaint, D.

1992-07-01

We present results of numerical simulations of quantum chromodynamics at finite temperature with two flavors of Kogut-Susskind quarks on the Intel iPSC/860 parallel processor. We investigate the properties of the objects whose exchange gives static screening lengths by reconstructing their correlated quark-antiquark structure.

Finite element simulation of the mechanism of laser ultrasound induced pain weapon

NASA Astrophysics Data System (ADS)

Zhou, Bo; Zhan, Ren Jun; Shan, Ning

2018-03-01

The Laser-Ultrasonic technique uses laser energy to generate ultrasound waves in various solids. In normal conditions, this technique is used to inspect large structures without destruction, but in military use, we hope get this destruction. Nociceptors in Human skin can feel cold, heat, mechanical and other stimuli, when the stimulus exceeds a certain threshold will produce pain. Based on this principle, a laser induced pain weapon may be made. The generated ultrasound wave form is affected by features of laser pulse. The results obtained from the finite element model of laser generated ultrasound are presented in terms of temperature and displacement. At first step, the transient temperature field can be precisely calculated by using the finite element method. Then, laser generated surface acoustic wave forms are calculated by coupling the temperature distribution. Displacement is used to represent the mechanical action of skin caused by laser ultrasound. Results from numerical simulation are compared with other references; the accuracy of the method is proved accordingly. The results of simulation in the given conditions demonstrate that the stresses generated by pulse laser in human skin model were about -8 and +4 MPa. According to the results of simulation, the max and min stress are both emerged in the range of 0 600 um, that is exactly the location of myelinated Aδ and unmyelinated C nociceptor. The value of stress is can be adjusted by chose suitable parameters of laser. The study provides a possibility for developing a new non-lethal weapon to control riots or crowd.

Correlation of predicted and measured thermal stresses on an advanced aircraft structure with dissimilar materials. [hypersonic heating simulation

NASA Technical Reports Server (NTRS)

Jenkins, J. M.

1979-01-01

Additional information was added to a growing data base from which estimates of finite element model complexities can be made with respect to thermal stress analysis. The manner in which temperatures were smeared to the finite element grid points was examined from the point of view of the impact on thermal stress calculations. The general comparison of calculated and measured thermal stresses is guite good and there is little doubt that the finite element approach provided by NASTRAN results in correct thermal stress calculations. Discrepancies did exist between measured and calculated values in the skin and the skin/frame junctures. The problems with predicting skin thermal stress were attributed to inadequate temperature inputs to the structural model rather than modeling insufficiencies. The discrepancies occurring at the skin/frame juncture were most likely due to insufficient modeling elements rather than temperature problems.

Predicting Long-term Temperature Increase for Time-Dependent SAR Levels with a Single Short-term Temperature Response

PubMed Central

Carluccio, Giuseppe; Bruno, Mary; Collins, Christopher M.

2015-01-01

Purpose Present a novel method for rapid prediction of temperature in vivo for a series of pulse sequences with differing levels and distributions of specific energy absorption rate (SAR). Methods After the temperature response to a brief period of heating is characterized, a rapid estimate of temperature during a series of periods at different heating levels is made using a linear heat equation and Impulse-Response (IR) concepts. Here the initial characterization and long-term prediction for a complete spine exam are made with the Pennes’ bioheat equation where, at first, core body temperature is allowed to increase and local perfusion is not. Then corrections through time allowing variation in local perfusion are introduced. Results The fast IR-based method predicted maximum temperature increase within 1% of that with a full finite difference simulation, but required less than 3.5% of the computation time. Even higher accelerations are possible depending on the time step size chosen, with loss in temporal resolution. Correction for temperature-dependent perfusion requires negligible additional time, and can be adjusted to be more or less conservative than the corresponding finite difference simulation. Conclusion With appropriate methods, it is possible to rapidly predict temperature increase throughout the body for actual MR examinations. (200/200 words) PMID:26096947

Predicting long-term temperature increase for time-dependent SAR levels with a single short-term temperature response.

PubMed

Carluccio, Giuseppe; Bruno, Mary; Collins, Christopher M

2016-05-01

Present a novel method for rapid prediction of temperature in vivo for a series of pulse sequences with differing levels and distributions of specific energy absorption rate (SAR). After the temperature response to a brief period of heating is characterized, a rapid estimate of temperature during a series of periods at different heating levels is made using a linear heat equation and impulse-response (IR) concepts. Here the initial characterization and long-term prediction for a complete spine exam are made with the Pennes' bioheat equation where, at first, core body temperature is allowed to increase and local perfusion is not. Then corrections through time allowing variation in local perfusion are introduced. The fast IR-based method predicted maximum temperature increase within 1% of that with a full finite difference simulation, but required less than 3.5% of the computation time. Even higher accelerations are possible depending on the time step size chosen, with loss in temporal resolution. Correction for temperature-dependent perfusion requires negligible additional time and can be adjusted to be more or less conservative than the corresponding finite difference simulation. With appropriate methods, it is possible to rapidly predict temperature increase throughout the body for actual MR examinations. © 2015 Wiley Periodicals, Inc.

Two-dimensional finite element heat transfer model of softwood. Part II, Macrostructural effects

Treesearch

Hongmei Gu; John F. Hunt

2006-01-01

A two-dimensional finite element model was used to study the effects of structural features on transient heat transfer in softwood lumber with various orientations. Transient core temperature was modeled for lumber samples “cut” from various locations within a simulated log. The effects of ring orientation, earlywood to latewood (E/L) ratio, and ring density were...

Development of a Aerothermoelastic-Acoustics Simulation Capability of Flight Vehicles

NASA Technical Reports Server (NTRS)

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

2010-01-01

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

Simulation of Thermographic Responses of Delaminations in Composites with Quadrupole Method

NASA Technical Reports Server (NTRS)

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

2016-01-01

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

Finite element model of the temperature increase in excised porcine cadaver iris during direct illumination by femtosecond laser pulses

PubMed Central

Sun, Hui; Kurtz, Ronald M.

2012-01-01

Abstract. In order to model the thermal effect of laser exposure of the iris during laser corneal surgery, we simulated the temperature increase in porcine cadaver iris. The simulation data for the 60 kHz FS60 Laser showed that the temperature increased up to 1.23°C and 2.45°C (at laser pulse energy 1 and 2 µJ, respectively) by the 24 second procedure time. Calculated temperature profiles show good agreement with data obtained from ex vivo experiments using porcine cadaver iris. Simulation results of different types of femtosecond lasers indicate that the Laser in situ keratomileusis procedure does not present a safety hazard to the iris. PMID:22894525

Investigation of the High-Energy Oxidation of FiberForm from DSMC Analysis of Molecular Beam Experiments

NASA Technical Reports Server (NTRS)

Borner, A.; Swaminathan-Gopalan, K.; Stephani, Kelly; Poovathingal, S.; Murray, V. J.; Minton, T. K.; Panerai, F.; Mansour, N. N.

2017-01-01

A collaborative effort between the University of Illinois at Urbana-Champaign (UIUC), NASA Ames Research Center (ARC) and Montana State University (MSU) succeeded at developing a new finite-rate carbon oxidation model from molecular beam scattering experiments on vitreous carbon (VC). We now aim to use the direct simulation Monte Carlo (DSMC) code SPARTA to apply the model to each fiber of the porous fibrous Thermal Protection Systems (TPS) material FiberForm (FF). The detailed micro-structure of FF was obtained from X-ray micro-tomography and then used in DSMC. Both experiments and simulations show that the CO/O products ratio increased at all temperatures from VC to FF. We postulate this is due to the larger number of collisions an O atom encounters inside the porous FF material compared to the flat surface of VC. For the simulations, we particularly focused on the lowest and highest temperatures studied experimentally, 1023 K and 1823 K, and found good agreement between the finite-rate DSMC simulations and experiments.

Comparison of experimental three-band IR detection of buried objects and multiphysics simulations

NASA Astrophysics Data System (ADS)

Rabelo, Renato C.; Tilley, Heather P.; Catterlin, Jeffrey K.; Karunasiri, Gamani; Alves, Fabio D. P.

2018-04-01

A buried-object detection system composed of a LWIR, a MWIR and a SWIR camera, along with a set of ground and ambient temperature sensors was constructed and tested. The objects were buried in a 1.2x1x0.3 m3 sandbox and surface temperature (using LWIR and MWIR cameras) and reflection (using SWIR camera) were recoded throughout the day. Two objects (aluminum and Teflon) with volume of about 2.5x10-4 m3 , were placed at varying depths during the measurements. Ground temperature sensors buried at three different depths measured the vertical temperature profile within the sandbox, while the weather station recorded the ambient temperature and solar radiation intensity. Images from the three cameras were simultaneously acquired in five-minute intervals throughout many days. An algorithm to postprocess and combine the images was developed in order to maximize the probability of detection by identifying thermal anomalies (temperature contrast) resulting from the presence of the buried object in an otherwise homogeneous medium. A simplified detection metric based on contrast differences was established to allow the evaluation of the image processing method. Finite element simulations were performed, reproducing the experiment conditions and, when possible, incorporated with data coming from actual measurements. Comparisons between experiment and simulation results were performed and the simulation parameters were adjusted until images generated from both methods are matched, aiming at obtaining insights of the buried material properties. Preliminary results show a great potential for detection of shallowburied objects such as land mines and IEDs and possible identification using finite element generated maps fitting measured surface maps.

The Simulation of Precipitation Evolutions and Mechanical Properties in Friction Stir Welding with Post-Weld Heat Treatments

NASA Astrophysics Data System (ADS)

Zhang, Z.; Wan, Z. Y.; Lindgren, L.-E.; Tan, Z. J.; Zhou, X.

2017-12-01

A finite element model of friction stir welding capable of re-meshing is used to simulate the temperature variations. Re-meshing of the finite element model is used to maintain a fine mesh resolving the gradients of the solution. The Kampmann-Wagner numerical model for precipitation is then used to study the relation between friction stir welds with post-weld heat treatment (PWHT) and the changes in mechanical properties. Results indicate that the PWHT holding time and PWHT holding temperature need to be optimally designed to obtain FSW with better mechanical properties. Higher precipitate number with lower precipitate sizes gives higher strength in the stirring zone after PWHT. The coarsening of precipitates in HAZ are the main reason to hinder the improvement of mechanical property when PWHT is used.

Heat transfer monitoring by means of the hot wire technique and finite element analysis software.

PubMed

Hernández Wong, J; Suarez, V; Guarachi, J; Calderón, A; Rojas-Trigos, J B; Juárez, A G; Marín, E

2014-01-01

It is reported the study of the radial heat transfer in a homogeneous and isotropic substance with a heat linear source in its axial axis. For this purpose, the hot wire characterization technique has been used, in order to obtain the temperature distribution as a function of radial distance from the axial axis and time exposure. Also, the solution of the transient heat transport equation for this problem was obtained under appropriate boundary conditions, by means of finite element technique. A comparison between experimental, conventional theoretical model and numerical simulated results is done to demonstrate the utility of the finite element analysis simulation methodology in the investigation of the thermal response of substances. Copyright © 2013 Elsevier Ltd. All rights reserved.

Three-Dimensional Finite Element Ablative Thermal Response and Thermostructural Design of Thermal Protection Systems

NASA Technical Reports Server (NTRS)

Dec, John A.; Braun, Robert D.

2011-01-01

A finite element ablation and thermal response program is presented for simulation of three-dimensional transient thermostructural analysis. The three-dimensional governing differential equations and finite element formulation are summarized. A novel probabilistic design methodology for thermal protection systems is presented. The design methodology is an eight step process beginning with a parameter sensitivity study and is followed by a deterministic analysis whereby an optimum design can determined. The design process concludes with a Monte Carlo simulation where the probabilities of exceeding design specifications are estimated. The design methodology is demonstrated by applying the methodology to the carbon phenolic compression pads of the Crew Exploration Vehicle. The maximum allowed values of bondline temperature and tensile stress are used as the design specifications in this study.

OWL: A scalable Monte Carlo simulation suite for finite-temperature study of materials

NASA Astrophysics Data System (ADS)

Li, Ying Wai; Yuk, Simuck F.; Cooper, Valentino R.; Eisenbach, Markus; Odbadrakh, Khorgolkhuu

The OWL suite is a simulation package for performing large-scale Monte Carlo simulations. Its object-oriented, modular design enables it to interface with various external packages for energy evaluations. It is therefore applicable to study the finite-temperature properties for a wide range of systems: from simple classical spin models to materials where the energy is evaluated by ab initio methods. This scheme not only allows for the study of thermodynamic properties based on first-principles statistical mechanics, it also provides a means for massive, multi-level parallelism to fully exploit the capacity of modern heterogeneous computer architectures. We will demonstrate how improved strong and weak scaling is achieved by employing novel, parallel and scalable Monte Carlo algorithms, as well as the applications of OWL to a few selected frontier materials research problems. This research was supported by the Office of Science of the Department of Energy under contract DE-AC05-00OR22725.

A microstructural lattice model for strain oriented problems: A combined Monte Carlo finite element technique

NASA Technical Reports Server (NTRS)

Gayda, J.; Srolovitz, D. J.

1987-01-01

A specialized, microstructural lattice model, termed MCFET for combined Monte Carlo Finite Element Technique, was developed which simulates microstructural evolution in material systems where modulated phases occur and the directionality of the modulation is influenced by internal and external stresses. In this approach, the microstructure is discretized onto a fine lattice. Each element in the lattice is labelled in accordance with its microstructural identity. Diffusion of material at elevated temperatures is simulated by allowing exchanges of neighboring elements if the exchange lowers the total energy of the system. A Monte Carlo approach is used to select the exchange site while the change in energy associated with stress fields is computed using a finite element technique. The MCFET analysis was validated by comparing this approach with a closed form, analytical method for stress assisted, shape changes of a single particle in an infinite matrix. Sample MCFET analytical for multiparticle problems were also run and in general the resulting microstructural changes associated with the application of an external stress are similar to that observed in Ni-Al-Cr alloys at elevated temperature.

QCD at finite isospin chemical potential

NASA Astrophysics Data System (ADS)

Brandt, Bastian B.; Endrődi, Gergely; Schmalzbauer, Sebastian

2018-03-01

We investigate the properties of QCD at finite isospin chemical potential at zero and non-zero temperatures. This theory is not affected by the sign problem and can be simulated using Monte-Carlo techniques. With increasing isospin chemical potential and temperatures below the deconfinement transition the system changes into a phase where charged pions condense, accompanied by an accumulation of low modes of the Dirac operator. The simulations are enabled by the introduction of a pionic source into the action, acting as an infrared regulator for the theory, and physical results are obtained by removing the regulator via an extrapolation. We present an update of our study concerning the associated phase diagram using 2+1 flavours of staggered fermions with physical quark masses and the comparison to Taylor expansion. We also present first results for our determination of the equation of state at finite isospin chemical potential and give an example for a cosmological application. The results can also be used to gain information about QCD at small baryon chemical potentials using reweighting with respect to the pionic source parameter and the chemical potential and we present first steps in this direction.

Mathematical simulation of convective-radiative heat transfer in a ventilated rectangular cavity with consideration of internal mass transfer

NASA Astrophysics Data System (ADS)

Sheremet, M. A.; Shishkin, N. I.

2012-07-01

Mathematical simulation of the nonstationary regimes of heat-and-mass transfer in a ventilated rectangular cavity with heat-conducting walls of finite thickness in the presence of a heat-generating element of constant temperature has been carried out with account for the radiative heat transfer in the Rosseland approximation. As mechanisms of energy transfer in this cavity, the combined convection and the thermal radiation in the gas space of the cavity and the heat conduction in the elements of its fencing solid shell were considered. The mathematical model formulated in the dimensionless stream function-vorticity vector-temperature-concentration variables was realized numerically with the use of the finite-difference method. The streamline, temperature-field, and concentration distributions reflecting the influence of the Rayleigh number (Ra = 104, 105, 106), the nonstationarity (0 < τ ≤ 1000), and the optical thickness of the medium (τλ = 50, 100, 200) on the regimes of the gas flow and the heat-and-mass transfer in the cavity have been obtained.

Vibronic Boson Sampling: Generalized Gaussian Boson Sampling for Molecular Vibronic Spectra at Finite Temperature.

PubMed

Huh, Joonsuk; Yung, Man-Hong

2017-08-07

Molecular vibroic spectroscopy, where the transitions involve non-trivial Bosonic correlation due to the Duschinsky Rotation, is strongly believed to be in a similar complexity class as Boson Sampling. At finite temperature, the problem is represented as a Boson Sampling experiment with correlated Gaussian input states. This molecular problem with temperature effect is intimately related to the various versions of Boson Sampling sharing the similar computational complexity. Here we provide a full description to this relation in the context of Gaussian Boson Sampling. We find a hierarchical structure, which illustrates the relationship among various Boson Sampling schemes. Specifically, we show that every instance of Gaussian Boson Sampling with an initial correlation can be simulated by an instance of Gaussian Boson Sampling without initial correlation, with only a polynomial overhead. Since every Gaussian state is associated with a thermal state, our result implies that every sampling problem in molecular vibronic transitions, at any temperature, can be simulated by Gaussian Boson Sampling associated with a product of vacuum modes. We refer such a generalized Gaussian Boson Sampling motivated by the molecular sampling problem as Vibronic Boson Sampling.

Consolidation and Warpage Deformation Finite Element Analysis of Filament Wound Tubes

NASA Astrophysics Data System (ADS)

Li, Jun; Dong, Chensong; Chen, Shenshen

2009-10-01

This paper presents a process model for simulating the manufacturing process of prepreg filament wound composite tubes developed based on the finite element analysis. The model relates the process variables, such as degree of cure, viscosity, material property and temperature etc., to the parameters characterizing (residual stresses, warpage deformation) the composite tube and the mandrel. From the simulating results, several important trends in both the data and model are observed (1) Low temperature will go with low reaction rate and the reaction starts under low temperature will later compared with high temperature; (2) The results using CHILE model after demolding will smaller than the one using linear elasticity which assumes a stress-free prior to cool-down. After the mandrel (mold) is removed, some residual stresses, especially hoop stress will be released. (3) Remarkable stress concentration appeared in the transition zone between the boss and cylinder. In order to prevent the structural failure due to interlaminar shear or delamination, both the outer surface of the cylinder and the inner of the boss should have the same ply orientation angle.

Asphalt pavement aging and temperature dependent properties using functionally graded viscoelastic model

NASA Astrophysics Data System (ADS)

Dave, Eshan V.

Asphalt concrete pavements are inherently graded viscoelastic structures. Oxidative aging of asphalt binder and temperature cycling due to climatic conditions being the major cause of non-homogeneity. Current pavement analysis and simulation procedures dwell on the use of layered approach to account for these non-homogeneities. The conventional finite-element modeling (FEM) technique discretizes the problem domain into smaller elements, each with a unique constitutive property. However the assignment of unique material property description to an element in the FEM approach makes it an unattractive choice for simulation of problems with material non-homogeneities. Specialized elements such as "graded elements" allow for non-homogenous material property definitions within an element. This dissertation describes the development of graded viscoelastic finite element analysis method and its application for analysis of asphalt concrete pavements. Results show that the present research improves efficiency and accuracy of simulations for asphalt pavement systems. Some of the practical implications of this work include the new technique's capability for accurate analysis and design of asphalt pavements and overlay systems and for the determination of pavement performance with varying climatic conditions and amount of in-service age. Other application areas include simulation of functionally graded fiber-reinforced concrete, geotechnical materials, metal and metal composites at high temperatures, polymers, and several other naturally existing and engineered materials.

Simulation of temperature field for temperature-controlled radio frequency ablation using a hyperbolic bioheat equation and temperature-varied voltage calibration: a liver-mimicking phantom study.

PubMed

Zhang, Man; Zhou, Zhuhuang; Wu, Shuicai; Lin, Lan; Gao, Hongjian; Feng, Yusheng

2015-12-21

This study aims at improving the accuracy of temperature simulation for temperature-controlled radio frequency ablation (RFA). We proposed a new voltage-calibration method in the simulation and investigated the feasibility of a hyperbolic bioheat equation (HBE) in the RFA simulation with longer durations and higher power. A total of 40 RFA experiments was conducted in a liver-mimicking phantom. Four mathematical models with multipolar electrodes were developed by the finite element method in COMSOL software: HBE with/without voltage calibration, and the Pennes bioheat equation (PBE) with/without voltage calibration. The temperature-varied voltage calibration used in the simulation was calculated from an experimental power output and temperature-dependent resistance of liver tissue. We employed the HBE in simulation by considering the delay time τ of 16 s. First, for simulations by each kind of bioheat equation (PBE or HBE), we compared the differences between the temperature-varied voltage-calibration and the fixed-voltage values used in the simulations. Then, the comparisons were conducted between the PBE and the HBE in the simulations with temperature-varied voltage calibration. We verified the simulation results by experimental temperature measurements on nine specific points of the tissue phantom. The results showed that: (1) the proposed voltage-calibration method improved the simulation accuracy of temperature-controlled RFA for both the PBE and the HBE, and (2) for temperature-controlled RFA simulation with the temperature-varied voltage calibration, the HBE method was 0.55 °C more accurate than the PBE method. The proposed temperature-varied voltage calibration may be useful in temperature field simulations of temperature-controlled RFA. Besides, the HBE may be used as an alternative in the simulation of long-duration high-power RFA.

Asymmetric fluid criticality. II. Finite-size scaling for simulations.

PubMed

Kim, Young C; Fisher, Michael E

2003-10-01

The vapor-liquid critical behavior of intrinsically asymmetric fluids is studied in finite systems of linear dimensions L focusing on periodic boundary conditions, as appropriate for simulations. The recently propounded "complete" thermodynamic (L--> infinity) scaling theory incorporating pressure mixing in the scaling fields as well as corrections to scaling [Phys. Rev. E 67, 061506 (2003)] is extended to finite L, initially in a grand canonical representation. The theory allows for a Yang-Yang anomaly in which, when L--> infinity, the second temperature derivative (d2musigma/dT2) of the chemical potential along the phase boundary musigmaT diverges when T-->Tc-. The finite-size behavior of various special critical loci in the temperature-density or (T,rho) plane, in particular, the k-inflection susceptibility loci and the Q-maximal loci--derived from QL(T,L) is identical with 2L/L where m is identical with rho-L--is carefully elucidated and shown to be of value in estimating Tc and rhoc. Concrete illustrations are presented for the hard-core square-well fluid and for the restricted primitive model electrolyte including an estimate of the correlation exponent nu that confirms Ising-type character. The treatment is extended to the canonical representation where further complications appear.

Climate Simulations with an Isentropic Finite Volume Dynamical Core

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

Chen, Chih-Chieh; Rasch, Philip J.

2012-04-15

This paper discusses the impact of changing the vertical coordinate from a hybrid pressure to a hybrid-isentropic coordinate within the finite volume dynamical core of the Community Atmosphere Model (CAM). Results from a 20-year climate simulation using the new model coordinate configuration are compared to control simulations produced by the Eulerian spectral and FV dynamical cores of CAM which both use a pressure-based ({sigma}-p) coordinate. The same physical parameterization package is employed in all three dynamical cores. The isentropic modeling framework significantly alters the simulated climatology and has several desirable features. The revised model produces a better representation of heatmore » transport processes in the atmosphere leading to much improved atmospheric temperatures. We show that the isentropic model is very effective in reducing the long standing cold temperature bias in the upper troposphere and lower stratosphere, a deficiency shared among most climate models. The warmer upper troposphere and stratosphere seen in the isentropic model reduces the global coverage of high clouds which is in better agreement with observations. The isentropic model also shows improvements in the simulated wintertime mean sea-level pressure field in the northern hemisphere.« less

Switching times of nanoscale FePt: Finite size effects on the linear reversal mechanism

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

Ellis, M. O. A.; Chantrell, R. W.

2015-04-20

The linear reversal mechanism in FePt grains ranging from 2.316 nm to 5.404 nm has been simulated using atomistic spin dynamics, parametrized from ab-initio calculations. The Curie temperature and the critical temperature (T{sup *}), at which the linear reversal mechanism occurs, are observed to decrease with system size whilst the temperature window T{sup *}

Finite element modeling of the residual stress evolution in forged and direct-aged alloy 718 turbine disks during manufacturing and its experimental validation

NASA Astrophysics Data System (ADS)

Drexler, Andreas; Ecker, Werner; Hessert, Roland; Oberwinkler, Bernd; Gänser, Hans-Peter; Keckes, Jozef; Hofmann, Michael; Fischersworring-Bunk, Andreas

2017-10-01

In this work the evolution of the residual stress field in a forged and heat treated turbine disk of Alloy 718 and its subsequent relaxation during machining was simulated and measured. After forging at around 1000 °C the disks were natural air cooled to room temperature and direct aged in a furnace at 720 °C for 8 hours and at 620 °C for 8 hours. The machining of the Alloy 718 turbine disk was performed in two steps: The machining of the Alloy 718 turbine disk was performed in two steps: First, from the forging contour to a contour used for ultra-sonic testing. Second, from the latter to the final contour. The thermal boundary conditions in the finite element model for air cooling and furnace heating were estimated based on analytical equations from literature. A constitutive model developed for the unified description of rate dependent and rate independent mechanical material behavior of Alloy 718 under in-service conditions up to temperatures of 1000 °C was extended and parametrized to meet the manufacturing conditions with temperatures up to 1000 °C. The results of the finite element model were validated with measurements on real-scale turbine disks. The thermal boundary conditions were validated in-field with measured cooling curves. For that purpose holes were drilled at different positions into the turbine disk and thermocouples were mounted in these holes to record the time-temperature curves during natural cooling and heating. The simulated residual stresses were validated by using the hole drilling method and the neutron diffraction technique. The accuracy of the finite element model for the final manufacturing step investigated was ±50 MPa.

Finite Element Modeling of Reheat Stretch Blow Molding of PET

NASA Astrophysics Data System (ADS)

Krishnan, Dwarak; Dupaix, Rebecca B.

2004-06-01

Poly (ethylene terephthalate) or PET is a polymer used as a packaging material for consumer products such as beverages, food or other liquids, and in other applications including drawn fibers and stretched films. Key features that make it widely used are its transparency, dimensional stability, gas impermeability, impact resistance, and high stiffness and strength in certain preferential directions. These commercially useful properties arise from the fact that PET crystallizes upon deformation above the glass transition temperature. Additionally, this strain-induced crystallization causes the deformation behavior of PET to be highly sensitive to processing conditions. It is thus crucial for engineers to be able to predict its performance at various process temperatures, strain rates and strain states so as to optimize the manufacturing process. In addressing these issues; a finite element analysis of the reheat blow molding process with PET has been carried out using ABAQUS. The simulation employed a constitutive model for PET developed by Dupaix and Boyce et al.. The model includes the combined effects of molecular orientation and strain-induced crystallization on strain hardening when the material is deformed above the glass transition temperature. The simulated bottles were also compared with actual blow molded bottles to evaluate the validity of the simulation.

NiMnGa/Si Shape Memory Bimorph Nanoactuation

NASA Astrophysics Data System (ADS)

Lambrecht, Franziska; Lay, Christian; Aseguinolaza, Iván R.; Chernenko, Volodymyr; Kohl, Manfred

2016-12-01

The size dependences of thermal bimorph and shape memory effect of nanoscale shape memory alloy (SMA)/Si bimorph actuators are investigated in situ in a scanning electron microscope and by finite element simulations. By combining silicon nanomachining and magnetron sputtering, freestanding NiMnGa/Si bimorph cantilever structures with film/substrate thickness of 200/250 nm and decreasing lateral dimensions are fabricated. Electrical resistance and mechanical beam bending tests upon direct Joule heating demonstrate martensitic phase transformation and reversible thermal bimorph effect, respectively. Corresponding characteristics are strongly affected by the large temperature gradient in the order of 50 K/µm forming along the nano bimorph cantilever upon electro-thermal actuation, which, in addition, depends on the size-dependent heat conductivity in the Si nano layer. Furthermore, the martensitic transformation temperatures show a size-dependent decrease by about 40 K for decreasing lateral dimensions down to 200 nm. The effects of heating temperature and stress distribution on the nanoactuation performance are analyzed by finite element simulations revealing thickness ratio of SMA/Si of 90/250 nm to achieve an optimum SME. Differential thermal expansion and thermo-elastic effects are discriminated by comparative measurements and simulations on Ni/Si bimorph reference actuators.

Finite element analyses of a linear-accelerator electron gun

NASA Astrophysics Data System (ADS)

Iqbal, M.; Wasy, A.; Islam, G. U.; Zhou, Z.

2014-02-01

Thermo-structural analyses of the Beijing Electron-Positron Collider (BEPCII) linear-accelerator, electron gun, were performed for the gun operating with the cathode at 1000 °C. The gun was modeled in computer aided three-dimensional interactive application for finite element analyses through ANSYS workbench. This was followed by simulations using the SLAC electron beam trajectory program EGUN for beam optics analyses. The simulations were compared with experimental results of the assembly to verify its beam parameters under the same boundary conditions. Simulation and test results were found to be in good agreement and hence confirmed the design parameters under the defined operating temperature. The gun is operating continuously since commissioning without any thermal induced failures for the BEPCII linear accelerator.

Finite element analyses of a linear-accelerator electron gun.

PubMed

Iqbal, M; Wasy, A; Islam, G U; Zhou, Z

2014-02-01

Thermo-structural analyses of the Beijing Electron-Positron Collider (BEPCII) linear-accelerator, electron gun, were performed for the gun operating with the cathode at 1000 °C. The gun was modeled in computer aided three-dimensional interactive application for finite element analyses through ANSYS workbench. This was followed by simulations using the SLAC electron beam trajectory program EGUN for beam optics analyses. The simulations were compared with experimental results of the assembly to verify its beam parameters under the same boundary conditions. Simulation and test results were found to be in good agreement and hence confirmed the design parameters under the defined operating temperature. The gun is operating continuously since commissioning without any thermal induced failures for the BEPCII linear accelerator.

A Hundred-Year-Old Experiment Re-evaluated: Accurate Ab-Initio Monte-Carlo Simulations of the Melting of Radon.

PubMed

Schwerdtfeger, Peter; Smits, Odile; Pahl, Elke; Jerabek, Paul

2018-06-12

State-of-the-art relativistic coupled-cluster theory is used to construct many-body potentials for the rare gas element radon in order to determine its bulk properties including the solid-to-liquid phase transition from parallel tempering Monte Carlo simulations through either direct sampling of the bulk or from a finite cluster approach. The calculated melting temperature are 201(3) K and 201(6) K from bulk simulations and from extrapolation of finite cluster values, respectively. This is in excellent agreement with the often debated (but widely cited) and only available value of 202 K, dating back to measurements by Gray and Ramsay in 1909. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modelling of the material flow of Nd-Fe-B magnets under high temperature deformation via finite element simulation method

PubMed Central

Chen, Yen-Ju; Lee, Yen-I; Chang, Wen-Cheng; Hsiao, Po-Jen; You, Jr-Shian; Wang, Chun-Chieh; Wei, Chia-Min

2017-01-01

Abstract Hot deformation of Nd-Fe-B magnets has been studied for more than three decades. With a good combination of forming processing parameters, the remanence and (BH)max values of Nd-Fe-B magnets could be greatly increased due to the formation of anisotropic microstructures during hot deformation. In this work, a methodology is proposed for visualizing the material flow in hot-deformed Nd-Fe-B magnets via finite element simulation. Material flow in hot-deformed Nd-Fe-B magnets could be predicted by simulation, which fitted with experimental results. By utilizing this methodology, the correlation between strain distribution and magnetic properties enhancement could be better understood. PMID:28970869

Simulation of Temperature Field Distribution for Cutting the Temperated Glass by Ultraviolet Laser

NASA Astrophysics Data System (ADS)

Yang, B. J.; He, Y. C.; Dai, F.; Lin, X. C.

2017-03-01

The finite element software ANSYS was adopted to simulate the temperature field distribution for laser cutting tempered glass, and the influence of different process parameters, including laser power, glass thickness and cutting speed, on temperature field distribution was studied in detail. The results show that the laser power has a greater influence on temperature field distribution than other paremeters, and when the laser power gets to 60W, the highest temperature reaches 749°C, which is higher than the glass softening temperature. It reflects the material near the laser spot is melted and the molten slag is removed by the high-energy water beam quickly. Finally, through the water guided laser cutting tempered glass experiment the FEM theoretical analysis was verified.

Elevated temperature crack growth

NASA Technical Reports Server (NTRS)

Kim, K. S.; Vanstone, R. H.

1992-01-01

The purpose of this program was to extend the work performed in the base program (CR 182247) into the regime of time-dependent crack growth under isothermal and thermal mechanical fatigue (TMF) loading, where creep deformation also influences the crack growth behavior. The investigation was performed in a two-year, six-task, combined experimental and analytical program. The path-independent integrals for application to time-dependent crack growth were critically reviewed. The crack growth was simulated using a finite element method. The path-independent integrals were computed from the results of finite-element analyses. The ability of these integrals to correlate experimental crack growth data were evaluated under various loading and temperature conditions. The results indicate that some of these integrals are viable parameters for crack growth prediction at elevated temperatures.

Temperature distributions and thermal stresses in a graded zirconia/metal gas path seal system for aircraft gas turbine engines

NASA Technical Reports Server (NTRS)

Taylor, C. M.; Bill, R. C.

1978-01-01

A ceramic/metallic aircraft gas turbine outer gas path seal designed for improved engine performance was studied. Transient temperature and stress profiles in a test seal geometry were determined by numerical analysis. During a simulated engine deceleration cycle from sea-level takeoff to idle conditions, the maximum seal temperature occurred below the seal surface, therefore the top layer of the seal was probably subjected to tensile stresses exceeding the modulus of rupture. In the stress analysis both two- and three-dimensional finite element computer programs were used. Predicted trends of the simpler and more easily usable two-dimensional element programs were borne out by the three-dimensional finite element program results.

Three-Dimensional Temperature Field Simulation for the Rotor of an Asynchronous Motor

ERIC Educational Resources Information Center

Wang, Yanwu; Fan, Chunli; Yang, Li; Sun, Fengrui

2010-01-01

A three-dimensional heat transfer model is built according to the rotor structure of an asynchronous motor, and three-dimensional temperature fields of the rotor under different working conditions, such as the unloaded, rated loaded and that with broken rotor bars, are studied based on the finite element numerical method and experiments. The…

Mixed-RKDG Finite Element Methods for the 2-D Hydrodynamic Model for Semiconductor Device Simulation

DOE PAGES

Chen, Zhangxin; Cockburn, Bernardo; Jerome, Joseph W.; ...

1995-01-01

In this paper we introduce a new method for numerically solving the equations of the hydrodynamic model for semiconductor devices in two space dimensions. The method combines a standard mixed finite element method, used to obtain directly an approximation to the electric field, with the so-called Runge-Kutta Discontinuous Galerkin (RKDG) method, originally devised for numerically solving multi-dimensional hyperbolic systems of conservation laws, which is applied here to the convective part of the equations. Numerical simulations showing the performance of the new method are displayed, and the results compared with those obtained by using Essentially Nonoscillatory (ENO) finite difference schemes. Frommore » the perspective of device modeling, these methods are robust, since they are capable of encompassing broad parameter ranges, including those for which shock formation is possible. The simulations presented here are for Gallium Arsenide at room temperature, but we have tested them much more generally with considerable success.« less

Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations.

PubMed

Linke, Max; Köfinger, Jürgen; Hummer, Gerhard

2018-06-07

We show that the rotational dynamics of proteins and nucleic acids determined from molecular dynamics simulations under periodic boundary conditions suffer from significant finite-size effects. We remove the box-size dependence of the rotational diffusion coefficients by adding a hydrodynamic correction k B T/6 ηV with k B Boltzmann's constant, T the absolute temperature, η the solvent shear viscosity, and V the box volume. We show that this correction accounts for the finite-size dependence of the rotational diffusion coefficients of horse-heart myoglobin and a B-DNA dodecamer in aqueous solution. The resulting hydrodynamic radii are in excellent agreement with experiment.

A Finite-Rate-Catalytic Model For Hypersonic Flows Informed By Molecular Dynamics

NASA Astrophysics Data System (ADS)

Schwartzentruber, T. E.; Valentini, P.; Norman, P.; Sorensen, C.

2011-05-01

The implementation of a finite-rate catalytic (FRC) wall boundary condition within a general 3D unstructured CFD solver is described. A set of one-step gas-surface chemical equations and atomistic parameters that deter- mine the reaction rates must be prescribed as input to the model. The chemical rate equations are solved at each wall face in the CFD simulation and result in a net production of species at the wall. In order for a finite- rate gas-surface reaction model to be consistent at equilibrium, it is determined that not all forward and back- ward rates can be specified arbitrarily. Provided that the forward rates for each surface recombination are as- signed, the backward rates must be determined using equilibrium constants that are consistent with the gas- phase chemistry model and thermodynamics. Reactive molecular dynamics (MD) simulations are performed us- ing the ReaxFFSiO potential to investigate oxygen-silica interactions. β-quartz and amorphous SiO2 surfaces are accommodated to a high temperature gas via MD simulation and reach a steady-state surface coverage. In addition to stable surface reconstructions a number of active sites are observed on which recombination occurs. Single collision MD simulations are performed where gas-phase oxygen atoms interact with the most dominant active site. Probabilities of recombination are found to have an exponential trend with gas-surface system temperature. The MD simulations are used to determine the activation energy for Eley-Rideal recombination of oxygen on a specific silica active site which is an important input parameter for the FRC model.

Determination of female breast tumor and its parameter estimation by thermal simulation

NASA Astrophysics Data System (ADS)

Chen, Xin-guang; Xu, A.-qing; Yang, Hong-qin; Wang, Yu-hua; Xie, Shu-sen

2010-02-01

Thermal imaging is an emerging method for early detection of female breast tumor. The main challenge for thermal imaging used in breast clinics lies in how to detect or locate the tumor and obtain its related parameters. The purpose of this study is to apply an improved method which combined a genetic algorithm with finite element thermal analysis to determine the breast tumor and its parameters, such as the size, location, metabolic heat generation and blood perfusion rate. A finite element model for breast embedded a tumor was used to investigate the temperature distribution, and then the influences of tumor metabolic heat generation, tumor location and tumor size on the temperature were studied by use of an improved genetic algorithm. The results show that thermal imaging is a potential and effective detection tool for early breast tumor, and thermal simulation may be helpful for the explanation of breast thermograms.

A Finite Length Cylinder Model for Mixed Oxide-Ion and Electron Conducting Cathodes Suited for Intermediate-Temperature Solid Oxide Fuel Cells

DOE PAGES

Jin, Xinfang; Wang, Jie; Jiang, Long; ...

2016-03-25

A physics-based model is presented to simulate the electrochemical behavior of mixed ion and electron conducting (MIEC) cathodes for intermediate-temperature solid oxide fuel cells. Analytic solutions for both transient and impedance models based on a finite length cylinder are derived. These solutions are compared to their infinite length counterparts. The impedance solution is also compared to experimental electrochemical impedance spectroscopy data obtained from both a traditional well-established La 0.6Sr 0.4Co 0.2Fe 0.8O 3-δ (LSCF) cathode and a new SrCo 0.9Nb 0.1O 3-δ (SCN) porous cathode. Lastly, the impedance simulations agree well with the experimental values, demonstrating that the new modelsmore » can be used to extract electro-kinetic parameters of MIEC SOFC cathodes.« less

Complex Langevin simulation of QCD at finite density and low temperature using the deformation technique

NASA Astrophysics Data System (ADS)

Nagata, Keitro; Nishimura, Jun; Shimasaki, Shinji

2018-03-01

We study QCD at finite density and low temperature by using the complex Langevin method. We employ the gauge cooling to control the unitarity norm and intro-duce a deformation parameter in the Dirac operator to avoid the singular-drift problem. The reliability of the obtained results are judged by the probability distribution of the magnitude of the drift term. By making extrapolations with respect to the deformation parameter using only the reliable results, we obtain results for the original system. We perform simulations on a 43 × 8 lattice and show that our method works well even in the region where the reweighing method fails due to the severe sign problem. As a result we observe a delayed onset of the baryon number density as compared with the phase-quenched model, which is a clear sign of the Silver Blaze phenomenon.

Documentation of a graphical display program for the saturated- unsaturated transport (SUTRA) finite-element simulation model

USGS Publications Warehouse

Souza, W.R.

1987-01-01

This report documents a graphical display program for the U. S. Geological Survey finite-element groundwater flow and solute transport model. Graphic features of the program, SUTRA-PLOT (SUTRA-PLOT = saturated/unsaturated transport), include: (1) plots of the finite-element mesh, (2) velocity vector plots, (3) contour plots of pressure, solute concentration, temperature, or saturation, and (4) a finite-element interpolator for gridding data prior to contouring. SUTRA-PLOT is written in FORTRAN 77 on a PRIME 750 computer system, and requires Version 9.0 or higher of the DISSPLA graphics library. The program requires two input files: the SUTRA input data list and the SUTRA simulation output listing. The program is menu driven and specifications for individual types of plots are entered and may be edited interactively. Installation instruction, a source code listing, and a description of the computer code are given. Six examples of plotting applications are used to demonstrate various features of the plotting program. (Author 's abstract)

Simulation model of stratified thermal energy storage tank using finite difference method

NASA Astrophysics Data System (ADS)

Waluyo, Joko

2016-06-01

Stratified TES tank is normally used in the cogeneration plant. The stratified TES tanks are simple, low cost, and equal or superior in thermal performance. The advantage of TES tank is that it enables shifting of energy usage from off-peak demand for on-peak demand requirement. To increase energy utilization in a stratified TES tank, it is required to build a simulation model which capable to simulate the charging phenomenon in the stratified TES tank precisely. This paper is aimed to develop a novel model in addressing the aforementioned problem. The model incorporated chiller into the charging of stratified TES tank system in a closed system. The model was developed in one-dimensional type involve with heat transfer aspect. The model covers the main factors affect to degradation of temperature distribution namely conduction through the tank wall, conduction between cool and warm water, mixing effect on the initial flow of the charging as well as heat loss to surrounding. The simulation model is developed based on finite difference method utilizing buffer concept theory and solved in explicit method. Validation of the simulation model is carried out using observed data obtained from operating stratified TES tank in cogeneration plant. The temperature distribution of the model capable of representing S-curve pattern as well as simulating decreased charging temperature after reaching full condition. The coefficient of determination values between the observed data and model obtained higher than 0.88. Meaning that the model has capability in simulating the charging phenomenon in the stratified TES tank. The model is not only capable of generating temperature distribution but also can be enhanced for representing transient condition during the charging of stratified TES tank. This successful model can be addressed for solving the limitation temperature occurs in charging of the stratified TES tank with the absorption chiller. Further, the stratified TES tank can be charged with the cooling energy of absorption chiller that utilizes from waste heat from gas turbine of the cogeneration plant.

Finite strain anisotropic elasto-plastic model for the simulation of the forming and testing of metal/short fiber reinforced polymer clinch joints at room temperature

NASA Astrophysics Data System (ADS)

Dean, A.; Rolfes, R.; Behrens, A.; Bouguecha, A.; Hübner, S.; Bonk, C.; Grbic, N.

2017-10-01

There is a strong trend in the automotive industry to reduce car body-, chassis- and power-train mass in order to lower carbon emissions. More wide spread use of lightweight short fiber reinforced polymer (SFRP) is a promising approach to attain this goal. This poses the challenge of how to integrate new SFRP components by joining them to traditional sheet metal structures. Recently (1), the clinching technique has been successfully applied as a suitable joining method for dissimilar material such as SFRP and Aluminum. The material pairing PA6GF30 and EN AW 5754 is chosen for this purpose due to their common application in industry. The current contribution presents a verification and validation of a finite strain anisotropic material model for SFRP developed in (2) for the FE simulation of the hybrid clinching process. The finite fiber rotation during forming and separation, and thus the change of the preferential material direction, is represented in this model. Plastic deformations in SFRP are considered in this model via an invariant based non-associated plasticity formulation following the multiplicative decomposition approach of the deformation gradient where the stress-free intermediate configuration is introduced. The model allows for six independent characterization curves. The aforementioned material model allows for a detailed simulation of the forming process as well as a simulative prediction of the shear test strength of the produced joint at room temperature.

FFT-based computation of the bioheat transfer equation for the HCC ultrasound surgery therapy modeling.

PubMed

Dillenseger, Jean-Louis; Esneault, Simon; Garnier, Carole

2008-01-01

This paper describes a modeling method of the tissue temperature evolution over time in hyperthermia. More precisely, this approach is used to simulate the hepatocellular carcinoma curative treatment by a percutaneous high intensity ultrasound surgery. The tissue temperature evolution over time is classically described by Pennes' bioheat transfer equation which is generally solved by a finite difference method. In this paper we will present a method where the bioheat transfer equation can be algebraically solved after a Fourier transformation over the space coordinates. The implementation and boundary conditions of this method will be shown and compared with the finite difference method.

Influence of different materials on the thermal behavior of a CDIP-8 ceramic package

NASA Astrophysics Data System (ADS)

Weide, Kirsten; Keck, Christian

1999-08-01

The temperature distribution inside a package is determined by the heat transfer from the package to the ambient, depending on the heat conductivities of the different used materials. With the help of finite element simulations the thermal behavior of the package can be characterized. In precise simulations convection and radiation effects have to be taken into account. In this paper the influence of different materials like the ceramic, the pin and die attach material and adhesive material between the chip and the die attach on the thermal resistance of the ceramic package will be investigated. A finite element model of the ceramic package including a voltage regulator on the chip was created. The simulations were carried out with the finite element program ANSYS. An easy way to take the radiation effect into account, which normally is difficult to handle in the simulation, will be shown. The results of the simulations are verified by infrared measurements. A comparison of the thermal resistance between the best case and worst case for different package materials was done. The thermal conductivity of the ceramic material shows the strongest influence on the thermal resistance.

Finite temperature static charge screening in quantum plasmas

NASA Astrophysics Data System (ADS)

Eliasson, B.; Akbari-Moghanjoughi, M.

2016-07-01

The shielding potential around a test charge is calculated, using the linearized quantum hydrodynamic formulation with the statistical pressure and Bohm potential derived from finite temperature kinetic theory, and the temperature effects on the force between ions is assessed. The derived screening potential covers the full range of electron degeneracy in the equation of state of the plasma electrons. An attractive force between shielded ions in an arbitrary degenerate plasma exists below a critical temperature and density. The effect of the temperature on the screening potential profile qualitatively describes the ion-ion bound interaction strength and length variations. This may be used to investigate physical properties of plasmas and in molecular-dynamics simulations of fermion plasma. It is further shown that the Bohm potential including the kinetic corrections has a profound effect on the Thomson scattering cross section in quantum plasmas with arbitrary degeneracy.

Finite-temperature lattice dynamics and superionic transition in ceria from first principles

NASA Astrophysics Data System (ADS)

Klarbring, Johan; Skorodumova, Natalia V.; Simak, Sergei I.

2018-03-01

Ab initio molecular dynamics (AIMD) in combination with the temperature dependent effective potential (TDEP) method has been used to go beyond the quasiharmonic approximation and study the lattice dynamics in ceria, CeO2, at finite temperature. The results indicate that the previously proposed connection between the B1 u phonon mode turning imaginary and the transition to the superionic phase in fluorite structured materials is an artifact of the failure of the quasiharmonic approximation in describing the lattice dynamics at elevated temperatures. We instead show that, in the TDEP picture, a phonon mode coupling to the Eu mode prevents the B1 u mode from becoming imaginary. We directly observe the superionic transition at high temperatures in our AIMD simulations and find that it is initiated by the formation of oxygen Frenkel pairs (FP). These FP are found to form in a collective process involving simultaneous motion of two oxygen ions.

3D Global Fluid Simulations of Turbulence in LAPD

NASA Astrophysics Data System (ADS)

Rogers, Barrett; Ricci, Paolo; Li, Bo

2009-05-01

We present 3D global fluid simulations of the UCLA upgraded Large Plasma Device (LAPD). This device confines an 18-m-long, cylindrically symmetric plasma with a uniform magnetic field. The plasma in the simulations is generated by density and temperature sources inside the computational domain, and sheath boundary conditions are applied at the ends of the plasma column. In 3D simulations of the entire plasma, we observe strong, rotating intermittent density and temperature fluctuations driven by resistive driftwave turbulence with finite parallel wavenumbers. Analogous simulations carried out in the 2D limit (that is, assuming that the motions are purely interchange-like) display much weaker mode activity driven a Kelvin-Helmholtz instability. The properties and scaling of the turbulence and transport will be discussed.

Elevated temperature crack growth

NASA Technical Reports Server (NTRS)

Malik, S. N.; Vanstone, R. H.; Kim, K. S.; Laflen, J. H.

1985-01-01

The purpose is to determine the ability of currently available P-I integrals to correlate fatigue crack propagation under conditions that simulate the turbojet engine combustor liner environment. The utility of advanced fracture mechanics measurements will also be evaluated during the course of the program. To date, an appropriate specimen design, a crack displacement measurement method, and boundary condition simulation in the computational model of the specimen were achieved. Alloy 718 was selected as an analog material based on its ability to simulate high temperature behavior at lower temperatures. Tensile and cyclic tests were run at several strain rates so that an appropriate constitutive model could be developed. Suitable P-I integrals were programmed into a finite element post-processor for eventual comparison with experimental data.

Recasting a model atomistic glassformer as a system of icosahedra

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

Pinney, Rhiannon; Bristol Centre for Complexity Science, University of Bristol, Bristol BS8 1TS; Liverpool, Tanniemola B.

2015-12-28

We consider a binary Lennard-Jones glassformer whose super-Arrhenius dynamics are correlated with the formation of icosahedral structures. Upon cooling, these icosahedra organize into mesoclusters. We recast this glassformer as an effective system of icosahedra which we describe with a population dynamics model. This model we parameterize with data from the temperature regime accessible to molecular dynamics simulations. We then use the model to determine the population of icosahedra in mesoclusters at arbitrary temperature. Using simulation data to incorporate dynamics into the model, we predict relaxation behavior at temperatures inaccessible to conventional approaches. Our model predicts super-Arrhenius dynamics whose relaxation timemore » remains finite for non-zero temperature.« less

Ground State and Finite Temperature Lanczos Methods

NASA Astrophysics Data System (ADS)

Prelovšek, P.; Bonča, J.

The present review will focus on recent development of exact- diagonalization (ED) methods that use Lanczos algorithm to transform large sparse matrices onto the tridiagonal form. We begin with a review of basic principles of the Lanczos method for computing ground-state static as well as dynamical properties. Next, generalization to finite-temperatures in the form of well established finite-temperature Lanczos method is described. The latter allows for the evaluation of temperatures T>0 static and dynamic quantities within various correlated models. Several extensions and modification of the latter method introduced more recently are analysed. In particular, the low-temperature Lanczos method and the microcanonical Lanczos method, especially applicable within the high-T regime. In order to overcome the problems of exponentially growing Hilbert spaces that prevent ED calculations on larger lattices, different approaches based on Lanczos diagonalization within the reduced basis have been developed. In this context, recently developed method based on ED within a limited functional space is reviewed. Finally, we briefly discuss the real-time evolution of correlated systems far from equilibrium, which can be simulated using the ED and Lanczos-based methods, as well as approaches based on the diagonalization in a reduced basis.

Prediction of the effect of temperature on impact damage in carbon/epoxy laminates

NASA Astrophysics Data System (ADS)

Gómez del Río, T.; Zaera, R.; Navarro, C.

2003-09-01

The effect of temperature on impact damage in Carbon Fiber Reinforced Plastic (CFRP) tape laminates produced by low velocity impact was studied by numerical simulations made to model drop weight tower impact tests on carbon/epoxy laminate composites. The damage model was implemented into a user subroutine of the finite element code ABAQUS. The model takes into account the thermal stresses resulting form the different thermal expansion coefficients in each ply of the laminate. The tests and simulations show how temperature affects the propagation of each damage mode. Matrix cracking and delamination are greatly affected by low temperature, white matrix crushing and fibre failure appear only in a small region at all the impact energies and test temperatures.

Application of Finite Element, Phase-field, and CALPHAD-based Methods to Additive Manufacturing of Ni-based Superalloys.

PubMed

Keller, Trevor; Lindwall, Greta; Ghosh, Supriyo; Ma, Li; Lane, Brandon M; Zhang, Fan; Kattner, Ursula R; Lass, Eric A; Heigel, Jarred C; Idell, Yaakov; Williams, Maureen E; Allen, Andrew J; Guyer, Jonathan E; Levine, Lyle E

2017-10-15

Numerical simulations are used in this work to investigate aspects of microstructure and microseg-regation during rapid solidification of a Ni-based superalloy in a laser powder bed fusion additive manufacturing process. Thermal modeling by finite element analysis simulates the laser melt pool, with surface temperatures in agreement with in situ thermographic measurements on Inconel 625. Geometric and thermal features of the simulated melt pools are extracted and used in subsequent mesoscale simulations. Solidification in the melt pool is simulated on two length scales. For the multicomponent alloy Inconel 625, microsegregation between dendrite arms is calculated using the Scheil-Gulliver solidification model and DICTRA software. Phase-field simulations, using Ni-Nb as a binary analogue to Inconel 625, produced microstructures with primary cellular/dendritic arm spacings in agreement with measured spacings in experimentally observed microstructures and a lesser extent of microsegregation than predicted by DICTRA simulations. The composition profiles are used to compare thermodynamic driving forces for nucleation against experimentally observed precipitates identified by electron and X-ray diffraction analyses. Our analysis lists the precipitates that may form from FCC phase of enriched interdendritic compositions and compares these against experimentally observed phases from 1 h heat treatments at two temperatures: stress relief at 1143 K (870 °C) or homogenization at 1423 K (1150 °C).

One-dimensional simulation of temperature and moisture in atmospheric and soil boundary layers

NASA Technical Reports Server (NTRS)

Bornstein, R. D.; Santhanam, K.

1981-01-01

Meteorologists are interested in modeling the vertical flow of heat and moisture through the soil in order to better simulate the vertical and temporal variations of the atmospheric boundary layer. The one dimensional planetary boundary layer model of is modified by the addition of transport equations to be solved by a finite difference technique to predict soil moisture.

Numerical simulation of temperature at drilling micro-hole on moving CO2 laser irradiated sticking plaster

NASA Astrophysics Data System (ADS)

Rao, Zhiming; He, Zhifang; Du, Jianqiang; Zhang, Xinyou; Ai, Guoping; Zhang, Chunqiang; Wu, Tao

2012-03-01

This paper applied numerical simulation of temperature by using finite element analysis software Ansys to study a model of drilling on sticking plaster. The continuous CO2 laser doing uniform linear motion and doing uniform circular motion irradiated sticking plaster to vaporize. The sticking plaster material was chosen as the thermal conductivity, the heat capacity and the density. For temperatures above 450 °C, sticking plaster would be vaporized. Based on the mathematical model of heat transfer, the process of drilling sticking plaster by laser beams could be simulated by Ansys. The simulation results showed the distribution of the temperature at the surface of the sticking plaster with the time of vaporizing at CO2 laser to do uniform linear motion and to do uniform circular motion. The temperature of sticking plaster CO2 laser to do uniform linear motion was higher than CO2 laser to do uniform circular motion in the same condition.

A finite volume model simulation for the Broughton Archipelago, Canada

NASA Astrophysics Data System (ADS)

Foreman, M. G. G.; Czajko, P.; Stucchi, D. J.; Guo, M.

A finite volume circulation model is applied to the Broughton Archipelago region of British Columbia, Canada and used to simulate the three-dimensional velocity, temperature, and salinity fields that are required by a companion model for sea lice behaviour, development, and transport. The absence of a high resolution atmospheric model necessitated the installation of nine weather stations throughout the region and the development of a simple data assimilation technique that accounts for topographic steering in interpolating/extrapolating the measured winds to the entire model domain. The circulation model is run for the period of March 13-April 3, 2008 and correlation coefficients between observed and model currents, comparisons between model and observed tidal harmonics, and root mean square differences between observed and model temperatures and salinities all showed generally good agreement. The importance of wind forcing in the near-surface circulation, differences between this simulation and one computed with another model, the effects of bathymetric smoothing on channel velocities, further improvements necessary for this model to accurately simulate conditions in May and June, and the implication of near-surface current patterns at a critical location in the 'migration corridor' of wild juvenile salmon, are also discussed.

Numerical simulation of transient temperature profiles for canned apple puree in semi-rigid aluminum based packaging during pasteurization.

PubMed

Shafiekhani, Soraya; Zamindar, Nafiseh; Hojatoleslami, Mohammad; Toghraie, Davood

2016-06-01

Pasteurization of canned apple puree was simulated for a 3-D geometry in a semi-rigid aluminum based container which was heated from all sides at 378 K. The computational fluid dynamics code Ansys Fluent 14.0 was used and the governing equations for energy, momentum, and continuity were computed using a finite volume method. The food model was assumed to have temperature-dependent properties. To validate the simulation, the apple puree was pasteurized in a water cascading retort. The effect of the mesh structures was studied for the temperature profiles during thermal processing. The experimental temperature in the slowest heating zone in the container was compared with the temperature predicted by the model and the difference was not significant. The study also investigated the impact of head space (water-vapor) on heat transfer.

Finite element analyses of a linear-accelerator electron gun

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

Iqbal, M., E-mail: muniqbal.chep@pu.edu.pk, E-mail: muniqbal@ihep.ac.cn; Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049; Wasy, A.

Thermo-structural analyses of the Beijing Electron-Positron Collider (BEPCII) linear-accelerator, electron gun, were performed for the gun operating with the cathode at 1000 °C. The gun was modeled in computer aided three-dimensional interactive application for finite element analyses through ANSYS workbench. This was followed by simulations using the SLAC electron beam trajectory program EGUN for beam optics analyses. The simulations were compared with experimental results of the assembly to verify its beam parameters under the same boundary conditions. Simulation and test results were found to be in good agreement and hence confirmed the design parameters under the defined operating temperature. The gunmore » is operating continuously since commissioning without any thermal induced failures for the BEPCII linear accelerator.« less

An introduction to three-dimensional climate modeling

NASA Technical Reports Server (NTRS)

Washington, W. M.; Parkinson, C. L.

1986-01-01

The development and use of three-dimensional computer models of the earth's climate are discussed. The processes and interactions of the atmosphere, oceans, and sea ice are examined. The basic theory of climate simulation which includes the fundamental equations, models, and numerical techniques for simulating the atmosphere, oceans, and sea ice is described. Simulated wind, temperature, precipitation, ocean current, and sea ice distribution data are presented and compared to observational data. The responses of the climate to various environmental changes, such as variations in solar output or increases in atmospheric carbon dioxide, are modeled. Future developments in climate modeling are considered. Information is also provided on the derivation of the energy equation, the finite difference barotropic forecast model, the spectral transform technique, and the finite difference shallow water waved equation model.

Simulating hydrodynamics and ice cover in Lake Erie using an unstructured grid model

NASA Astrophysics Data System (ADS)

Fujisaki-Manome, A.; Wang, J.

2016-02-01

An unstructured grid Finite-Volume Coastal Ocean Model (FVCOM) is applied to Lake Erie to simulate seasonal ice cover. The model is coupled with an unstructured-grid, finite-volume version of the Los Alamos Sea Ice Model (UG-CICE). We replaced the original 2-time-step Euler forward scheme in time integration by the central difference (i.e., leapfrog) scheme to assure a neutrally inertial stability. The modified version of FVCOM coupled with the ice model is applied to the shallow freshwater lake in this study using unstructured grids to represent the complicated coastline in the Laurentian Great Lakes and refining the spatial resolution locally. We conducted multi-year simulations in Lake Erie from 2002 to 2013. The results were compared with the observed ice extent, water surface temperature, ice thickness, currents, and water temperature profiles. Seasonal and interannual variation of ice extent and water temperature was captured reasonably, while the modeled thermocline was somewhat diffusive. The modeled ice thickness tends to be systematically thinner than the observed values. The modeled lake currents compared well with measurements obtained from an Acoustic Doppler Current Profiler located in the deep part of the lake, whereas the simulated currents deviated from measurements near the surface, possibly due to the model's inability to reproduce the sharp thermocline during the summer and the lack of detailed representation of offshore wind fields in the interpolated meteorological forcing.

Computer-simulation study of a disordered classical spin system in one dimension with long-range anisotropic ferromagnetic interactions

NASA Astrophysics Data System (ADS)

Romano, S.

1992-01-01

The present paper considers a classical system, consisting of n-component unit vectors (n=2 or 3), associated with a one-dimensional lattice \\{uk||k∈openZ\\}, and interacting via a translationally invariant pair potential of the long-range, ferromagnetic and anisotropic form W=Wjk=-ɛ||j-k||-2(auj,nuk,n +b tsumλ

Simulation of Structural Transformations in Heating of Alloy Steel

NASA Astrophysics Data System (ADS)

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

2017-07-01

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

Direct Numerical Simulation of Fingering Instabilities in Coating Flows

NASA Astrophysics Data System (ADS)

Eres, Murat H.; Schwartz, Leonard W.

1998-11-01

We consider stability and finger formation in free surface flows. Gravity driven downhill drainage and temperature gradient driven climbing flows are two examples of such problems. The former situation occurs when a mound of viscous liquid on a vertical wall is allowed to flow. Constant surface shear stress due to temperature gradients (Marangoni stress) can initiate the latter problem. The evolution equations are derived using the lubrication approximation. We also include the effects of finite-contact angles in the evolution equations using a disjoining pressure model. Evolution equations for both problems are solved using an efficient alternating-direction-implicit method. For both problems a one-dimensional base state is established, that is steady in a moving reference frame. This base state is unstable to transverse perturbations. The transverse wavenumbers for the most rapidly growing modes are found through direct numerical solution of the nonlinear evolution equations, and are compared with published experimental results. For a range of finite equilibrium contact angles, the fingers can grow without limit leading to semi-finite steady fingers in a moving coordinate system. A computer generated movie of the nonlinear simulation results, for several sets of input parameters, will be shown.

A simulation of temperature influence on echolocation click beams of the Indo-Pacific humpback dolphin (Sousa chinensis).

PubMed

Song, Zhongchang; Zhang, Yu; Wang, Xianyan; Wei, Chong

2017-10-01

A finite element method was used to investigate the temperature influence on sound beams of the Indo-Pacific humpback dolphin. The numerical models of a dolphin, which originated from previous computed tomography (CT) scanning and physical measurement results, were used to investigate sound beam patterns of the dolphin in temperatures from 21 °C to 39 °C, in increments of 2 °C. The -3 dB beam widths across the temperatures ranged from 9.3° to 12.6°, and main beam angle ranged from 4.7° to 7.2° for these temperatures. The subsequent simulation suggested that the dolphin's sound beam patterns, side lobes in particular, were influenced by temperature.

Three-dimensional Simulation and Prediction of Solenoid Valve Failure Mechanism Based on Finite Element Model

NASA Astrophysics Data System (ADS)

Li, Jianfeng; Xiao, Mingqing; Liang, Yajun; Tang, Xilang; Li, Chao

2018-01-01

The solenoid valve is a kind of basic automation component applied widely. It’s significant to analyze and predict its degradation failure mechanism to improve the reliability of solenoid valve and do research on prolonging life. In this paper, a three-dimensional finite element analysis model of solenoid valve is established based on ANSYS Workbench software. A sequential coupling method used to calculate temperature filed and mechanical stress field of solenoid valve is put forward. The simulation result shows the sequential coupling method can calculate and analyze temperature and stress distribution of solenoid valve accurately, which has been verified through the accelerated life test. Kalman filtering algorithm is introduced to the data processing, which can effectively reduce measuring deviation and restore more accurate data information. Based on different driving current, a kind of failure mechanism which can easily cause the degradation of coils is obtained and an optimization design scheme of electro-insulating rubbers is also proposed. The high temperature generated by driving current and the thermal stress resulting from thermal expansion can easily cause the degradation of coil wires, which will decline the electrical resistance of coils and result in the eventual failure of solenoid valve. The method of finite element analysis can be applied to fault diagnosis and prognostic of various solenoid valves and improve the reliability of solenoid valve’s health management.

Finite Element Simulations of Micro Turning of Ti-6Al-4V using PCD and Coated Carbide tools

NASA Astrophysics Data System (ADS)

Jagadesh, Thangavel; Samuel, G. L.

2017-02-01

The demand for manufacturing axi-symmetric Ti-6Al-4V implants is increasing in biomedical applications and it involves micro turning process. To understand the micro turning process, in this work, a 3D finite element model has been developed for predicting the tool chip interface temperature, cutting, thrust and axial forces. Strain gradient effect has been included in the Johnson-Cook material model to represent the flow stress of the work material. To verify the simulation results, experiments have been conducted at four different feed rates and at three different cutting speeds. Since titanium alloy has low Young's modulus, spring back effect is predominant for higher edge radius coated carbide tool which leads to the increase in the forces. Whereas, polycrystalline diamond (PCD) tool has smaller edge radius that leads to lesser forces and decrease in tool chip interface temperature due to high thermal conductivity. Tool chip interface temperature increases by increasing the cutting speed, however the increase is less for PCD tool as compared to the coated carbide tool. When uncut chip thickness decreases, there is an increase in specific cutting energy due to material strengthening effects. Surface roughness is higher for coated carbide tool due to ploughing effect when compared with PCD tool. The average prediction error of finite element model for cutting and thrust forces are 11.45 and 14.87 % respectively.

Homogeneous hydride formation path in α-Zr: Molecular dynamics simulations with the charge-optimized many-body potential

DOE PAGES

Zhang, Yongfeng; Bai, Xian-Ming; Yu, Jianguo; ...

2016-06-01

A formation path for homogeneous γ hydride formation in hcp α-Zr, from solid solution to the ζ and then the γ hydride, was demonstrated using molecular static calculations and molecular dynamic simulations with the charge-optimized many-body (COMB) potential. Hydrogen has limited solubility in α-Zr. Once the solubility limit is exceeded, the stability of solid solution gives way to that of coherent hydride phases such as the ζ hydride by planar precipitation of hydrogen. At finite temperatures, the ζ hydride goes through a partial hcp-fcc transformation via 1/3 <1¯100> slip on the basal plane, and transforms into a mixture of γmore » hydride and α-Zr. In the ζ hydride, slip on the basal plane is favored thermodynamically with negligible barrier, and is therefore feasible at finite temperatures without mechanical loading. The transformation process involves slips of three equivalent shear partials, in contrast to that proposed in the literature where only a single shear partial was involved. The adoption of multiple slip partials minimizes the macroscopic shape change of embedded hydride clusters and the shear strain accumulation in the matrix, and thus reduces the overall barrier needed for homogeneous γ hydride formation. In conclusion, this formation path requires finite temperatures for hydrogen diffusion without mechanical loading. Therefore, it should be effective at the cladding operating conditions.« less

Simulation of temperature distribution in tumor Photothermal treatment

NASA Astrophysics Data System (ADS)

Zhang, Xiyang; Qiu, Shaoping; Wu, Shulian; Li, Zhifang; Li, Hui

2018-02-01

The light transmission in biological tissue and the optical properties of biological tissue are important research contents of biomedical photonics. It is of great theoretical and practical significance in medical diagnosis and light therapy of disease. In this paper, the temperature feedback-controller was presented for monitoring photothermal treatment in realtime. Two-dimensional Monte Carlo (MC) and diffuse approximation were compared and analyzed. The results demonstrated that diffuse approximation using extrapolated boundary conditions by finite element method is a good approximation to MC simulation. Then in order to minimize thermal damage, real-time temperature monitoring was appraised by proportional-integral-differential (PID) controller in the process of photothermal treatment.

Application of hierarchical equations of motion (HEOM) to time dependent quantum transport at zero and finite temperatures

NASA Astrophysics Data System (ADS)

Tian, Heng; Chen, GuanHua

2013-10-01

Going beyond the limitations of our earlier works [X. Zheng, F. Wang, C.Y. Yam, Y. Mo, G.H. Chen, Phys. Rev. B 75, 195127 (2007); X. Zheng, G.H. Chen, Y. Mo, S.K. Koo, H. Tian, C.Y. Yam, Y.J. Yan, J. Chem. Phys. 133, 114101 (2010)], we propose, in this manuscript, a new alternative approach to simulate time-dependent quantum transport phenomenon from first-principles. This new practical approach, still retaining the formal exactness of HEOM framework, does not rely on any intractable parametrization scheme and the pole structure of Fermi distribution function, thus, can seamlessly incorporated into first-principles simulation and treat transient response of an open electronic systems to an external bias voltage at both zero and finite temperatures on the equal footing. The salient feature of this approach is surveyed, and its time complexity is analysed. As a proof-of-principle of this approach, simulation of the transient current of one dimensional tight-binding chain, driven by some direct external voltages, is demonstrated.

An approach to parameter estimation for breast tumor by finite element method

NASA Astrophysics Data System (ADS)

Xu, A.-qing; Yang, Hong-qin; Ye, Zhen; Su, Yi-ming; Xie, Shu-sen

2009-02-01

The temperature of human body on the surface of the skin depends on the metabolic activity, the blood flow, and the temperature of the surroundings. Any abnormality in the tissue, such as the presence of a tumor, alters the normal temperature on the skin surface due to increased metabolic activity of the tumor. Therefore, abnormal skin temperature profiles are an indication of diseases such as tumor or cancer. This study is to present an approach to detect the female breast tumor and its related parameter estimations by combination the finite element method with infrared thermography for the surface temperature profile. A 2D simplified breast embedded a tumor model based on the female breast anatomical structure and physiological characteristics was first established, and then finite element method was used to analyze the heat diffuse equation for the surface temperature profiles of the breast. The genetic optimization algorithm was used to estimate the tumor parameters such as depth, size and blood perfusion by minimizing a fitness function involving the temperature profiles simulated data by finite element method to the experimental data obtained by infrared thermography. This preliminary study shows it is possible to determine the depth and the heat generation rate of the breast tumor by using infrared thermography and the optimization analysis, which may play an important role in the female breast healthcare and diseases evaluation or early detection. In order to develop the proposed methodology to be used in clinical, more accurate anatomy 3D breast geometry should be considered in further investigations.

CHAP-2 heat-transfer analysis of the Fort St. Vrain reactor core

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

Kotas, J.F.; Stroh, K.R.

1983-01-01

The Los Alamos National Laboratory is developing the Composite High-Temperature Gas-Cooled Reactor Analysis Program (CHAP) to provide advanced best-estimate predictions of postulated accidents in gas-cooled reactor plants. The CHAP-2 reactor-core model uses the finite-element method to initialize a two-dimensional temperature map of the Fort St. Vrain (FSV) core and its top and bottom reflectors. The code generates a finite-element mesh, initializes noding and boundary conditions, and solves the nonlinear Laplace heat equation using temperature-dependent thermal conductivities, variable coolant-channel-convection heat-transfer coefficients, and specified internal fuel and moderator heat-generation rates. This paper discusses this method and analyzes an FSV reactor-core accident thatmore » simulates a control-rod withdrawal at full power.« less

Analysis and Calculation of the Fluid Flow and the Temperature Field by Finite Element Modeling

NASA Astrophysics Data System (ADS)

Dhamodaran, M.; Jegadeesan, S.; Kumar, R. Praveen

2018-04-01

This paper presents a fundamental and accurate approach to study numerical analysis of fluid flow and heat transfer inside a channel. In this study, the Finite Element Method is used to analyze the channel, which is divided into small subsections. The small subsections are discretized using higher number of domain elements and the corresponding number of nodes. MATLAB codes are developed to be used in the analysis. Simulation results showed that the analyses of fluid flow and temperature are influenced significantly by the changing entrance velocity. Also, there is an apparent effect on the temperature fields due to the presence of an energy source in the middle of the domain. In this paper, the characteristics of flow analysis and heat analysis in a channel have been investigated.

Simulation study of interaction of pulse laser with tumor-embedded gastric tissue using finite element analysis

NASA Astrophysics Data System (ADS)

Liu, Lantian; Li, Zhifang; Li, Hui

2018-01-01

The study of interaction of laser with tumor-embedded gastric tissue is of great theoretical and practical significance for the laser diagnosis and treatment of gastric cancer in medicine. A finite element (FE)-based simulation model has been developed incorporating light propagation and heat transfer in soft tissues using a commercial FE simulation package, COMSOL Multiphysics. In this study, FE model is composed of three parts of 1) homogeneous background soft tissues submerged in water, 2) tumor tissue inclusion, and 3) different wavelengths of short pulsed laser source (450nm, 550nm, 632nm and 800nm). The laser point source is placed right under the tissues submerged in water. This laser source light propagation through the multi-layer tissues using the diffusion equation and bioheat transfer in tissues is simulated using bioheat equation for temperature change. The simulation results show that the penetration depth and light energy distribution mainly depend on the optical parameters of the different wavelengths of the tissue. In the process of biological heat transfer, the temperature of the tissue decreases exponentially with the depth and the deep tissues are almost unaffected. The results are helpful to optimize the laser source in a photoacoustic imaging system and provide some significance for the further study of the early diagnosis of gastric cancer.

Simulation of Thermal Behavior in High-Precision Measurement Instruments

NASA Astrophysics Data System (ADS)

Weis, Hanna Sophie; Augustin, Silke

2008-06-01

In this paper, a way to modularize complex finite-element models is described. The modularization is done with temperature fields that appear in high-precision measurement instruments. There, the temperature negatively impacts the achievable uncertainty of measurement. To correct for this uncertainty, the temperature must be known at every point. This cannot be achieved just by measuring temperatures at specific locations. Therefore, a numerical treatment is necessary. As the system of interest is very complex, modularization is unavoidable to obtain good numerical results.

Multi-Scale Modeling of Liquid Phase Sintering Affected by Gravity: Preliminary Analysis

NASA Technical Reports Server (NTRS)

Olevsky, Eugene; German, Randall M.

2012-01-01

A multi-scale simulation concept taking into account impact of gravity on liquid phase sintering is described. The gravity influence can be included at both the micro- and macro-scales. At the micro-scale, the diffusion mass-transport is directionally modified in the framework of kinetic Monte-Carlo simulations to include the impact of gravity. The micro-scale simulations can provide the values of the constitutive parameters for macroscopic sintering simulations. At the macro-scale, we are attempting to embed a continuum model of sintering into a finite-element framework that includes the gravity forces and substrate friction. If successful, the finite elements analysis will enable predictions relevant to space-based processing, including size and shape and property predictions. Model experiments are underway to support the models via extraction of viscosity moduli versus composition, particle size, heating rate, temperature and time.

Fiber pushout test: A three-dimensional finite element computational simulation

NASA Technical Reports Server (NTRS)

Mital, Subodh K.; Chamis, Christos C.

1990-01-01

A fiber pushthrough process was computationally simulated using three-dimensional finite element method. The interface material is replaced by an anisotropic material with greatly reduced shear modulus in order to simulate the fiber pushthrough process using a linear analysis. Such a procedure is easily implemented and is computationally very effective. It can be used to predict fiber pushthrough load for a composite system at any temperature. The average interface shear strength obtained from pushthrough load can easily be separated into its two components: one that comes from frictional stresses and the other that comes from chemical adhesion between fiber and the matrix and mechanical interlocking that develops due to shrinkage of the composite because of phase change during the processing. Step-by-step procedures are described to perform the computational simulation, to establish bounds on interfacial bond strength and to interpret interfacial bond quality.

2D modeling of direct laser metal deposition process using a finite particle method

NASA Astrophysics Data System (ADS)

Anedaf, T.; Abbès, B.; Abbès, F.; Li, Y. M.

2018-05-01

Direct laser metal deposition is one of the material additive manufacturing processes used to produce complex metallic parts. A thorough understanding of the underlying physical phenomena is required to obtain a high-quality parts. In this work, a mathematical model is presented to simulate the coaxial laser direct deposition process tacking into account of mass addition, heat transfer, and fluid flow with free surface and melting. The fluid flow in the melt pool together with mass and energy balances are solved using the Computational Fluid Dynamics (CFD) software NOGRID-points, based on the meshless Finite Pointset Method (FPM). The basis of the computations is a point cloud, which represents the continuum fluid domain. Each finite point carries all fluid information (density, velocity, pressure and temperature). The dynamic shape of the molten zone is explicitly described by the point cloud. The proposed model is used to simulate a single layer cladding.

How hot? Systematic convergence of the replica exchange method using multiple reservoirs.

PubMed

Ruscio, Jory Z; Fawzi, Nicolas L; Head-Gordon, Teresa

2010-02-01

We have devised a systematic approach to converge a replica exchange molecular dynamics simulation by dividing the full temperature range into a series of higher temperature reservoirs and a finite number of lower temperature subreplicas. A defined highest temperature reservoir of equilibrium conformations is used to help converge a lower but still hot temperature subreplica, which in turn serves as the high-temperature reservoir for the next set of lower temperature subreplicas. The process is continued until an optimal temperature reservoir is reached to converge the simulation at the target temperature. This gradual convergence of subreplicas allows for better and faster convergence at the temperature of interest and all intermediate temperatures for thermodynamic analysis, as well as optimizing the use of multiple processors. We illustrate the overall effectiveness of our multiple reservoir replica exchange strategy by comparing sampling and computational efficiency with respect to replica exchange, as well as comparing methods when converging the structural ensemble of the disordered Abeta(21-30) peptide simulated with explicit water by comparing calculated Rotating Overhauser Effect Spectroscopy intensities to experimentally measured values. Copyright 2009 Wiley Periodicals, Inc.

An adaptive approach to the physical annealing strategy for simulated annealing

NASA Astrophysics Data System (ADS)

Hasegawa, M.

2013-02-01

A new and reasonable method for adaptive implementation of simulated annealing (SA) is studied on two types of random traveling salesman problems. The idea is based on the previous finding on the search characteristics of the threshold algorithms, that is, the primary role of the relaxation dynamics in their finite-time optimization process. It is shown that the effective temperature for optimization can be predicted from the system's behavior analogous to the stabilization phenomenon occurring in the heating process starting from a quenched solution. The subsequent slow cooling near the predicted point draws out the inherent optimizing ability of finite-time SA in more straightforward manner than the conventional adaptive approach.

An internal variable constitutive model for the large deformation of metals at high temperatures

NASA Technical Reports Server (NTRS)

Brown, Stuart; Anand, Lallit

1988-01-01

The advent of large deformation finite element methodologies is beginning to permit the numerical simulation of hot working processes whose design until recently has been based on prior industrial experience. Proper application of such finite element techniques requires realistic constitutive equations which more accurately model material behavior during hot working. A simple constitutive model for hot working is the single scalar internal variable model for isotropic thermal elastoplasticity proposed by Anand. The model is recalled and the specific scalar functions, for the equivalent plastic strain rate and the evolution equation for the internal variable, presented are slight modifications of those proposed by Anand. The modified functions are better able to represent high temperature material behavior. The monotonic constant true strain rate and strain rate jump compression experiments on a 2 percent silicon iron is briefly described. The model is implemented in the general purpose finite element program ABAQUS.

Modeling heat transfer and inactivation of Escherichia coli O157:H7 in precooked meat products in Argentina using the finite element method.

PubMed

Santos, M V; Zaritzky, N; Califano, A

2008-07-01

The presence of Escherichia coli is linked with sanitary deficiencies and undercooking of meat products. Recent studies have detected E. coli O157:H7 in black blood sausages. Minimum time-temperature specifications to kill the bacteria were obtained by numerical simulations of the microscopic heat conduction equation using the finite element method, and calculating the temperature profile of the sausage and the population of E. coli at the coldest point during heating. The model was validated by heating sausages in a water-bath. The effects of heat transfer coefficients and water temperatures on the required time to achieve an inactivation value (IV) of 12(log) are reported. Macroscopic heat balances were simultaneously solved to consider the temperature drop in the water batch as a function of the ratio between the mass of thermally treated sausage and the heat capacity of the system.

Stability and phase transition of skyrmion crystals generated by Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

El Hog, Sahbi; Bailly-Reyre, Aurélien; Diep, H. T.

2018-06-01

We generate a crystal of skyrmions in two dimensions using a Heisenberg Hamiltonian including the ferromagnetic interaction J, the Dzyaloshinskii-Moriya interaction D, and an applied magnetic field H. The ground state (GS) is determined by minimizing the interaction energy. We show that the GS is a skyrmion crystal in a region of (D, H) . The stability of this skyrmion crystalline phase at finite temperatures is shown by a study of the time-dependence of the order parameter using Monte Carlo simulations. We observe that the relaxation is very slow and follows a stretched exponential law. The skyrmion crystal phase is shown to undergo a transition to the paramagnetic state at a finite temperature.

A Monte Carlo-finite element model for strain energy controlled microstructural evolution - 'Rafting' in superalloys

NASA Technical Reports Server (NTRS)

Gayda, J.; Srolovitz, D. J.

1989-01-01

This paper presents a specialized microstructural lattice model, MCFET (Monte Carlo finite element technique), which simulates microstructural evolution in materials in which strain energy has an important role in determining morphology. The model is capable of accounting for externally applied stress, surface tension, misfit, elastic inhomogeneity, elastic anisotropy, and arbitrary temperatures. The MCFET analysis was found to compare well with the results of analytical calculations of the equilibrium morphologies of isolated particles in an infinite matrix.

A three-dimensional thermal finite element analysis of AISI 304 stainless steel and copper dissimilar weldment

NASA Astrophysics Data System (ADS)

Singh, Gurdeep; Saxena, Ravindra K.; Pandey, Sunil

2018-04-01

The aim of this study to developed a 3-D thermal finite element model for dissimilar material welding of AISI-304 stainless steel and copper. Welding of similar material is widely studied using experimental and numerical methods but the problem becomes trivial for the welding of dissimilar materials especially in ferrous and nonferrous materials. Finite element analysis of dissimilar material welding is a cost-effective method for the understanding and analysis of the process. The finite element analysis has been performed to predict the heat affected zone and temperature distribution in AISI-304 stainless steel and copper dissimilar weldment using MSC Marc 2017®. Due to the difference in physical properties of these materials the behavior of heat affected zone and temperature distribution are perceived to be different. To verify the accuracy of the thermal finite element model, the welding process was simulated with butt-welded joints having same dimensions and parameters from Attarha and Far [1]. It is found from the study that the heat affected zone is larger in copper weld pads than in AISI 304 stainless steel due to large difference in thermal conductivity of these two weld pads.

Path integral Monte Carlo and the electron gas

NASA Astrophysics Data System (ADS)

Brown, Ethan W.

Path integral Monte Carlo is a proven method for accurately simulating quantum mechanical systems at finite-temperature. By stochastically sampling Feynman's path integral representation of the quantum many-body density matrix, path integral Monte Carlo includes non-perturbative effects like thermal fluctuations and particle correlations in a natural way. Over the past 30 years, path integral Monte Carlo has been successfully employed to study the low density electron gas, high-pressure hydrogen, and superfluid helium. For systems where the role of Fermi statistics is important, however, traditional path integral Monte Carlo simulations have an exponentially decreasing efficiency with decreased temperature and increased system size. In this thesis, we work towards improving this efficiency, both through approximate and exact methods, as specifically applied to the homogeneous electron gas. We begin with a brief overview of the current state of atomic simulations at finite-temperature before we delve into a pedagogical review of the path integral Monte Carlo method. We then spend some time discussing the one major issue preventing exact simulation of Fermi systems, the sign problem. Afterwards, we introduce a way to circumvent the sign problem in PIMC simulations through a fixed-node constraint. We then apply this method to the homogeneous electron gas at a large swatch of densities and temperatures in order to map out the warm-dense matter regime. The electron gas can be a representative model for a host of real systems, from simple medals to stellar interiors. However, its most common use is as input into density functional theory. To this end, we aim to build an accurate representation of the electron gas from the ground state to the classical limit and examine its use in finite-temperature density functional formulations. The latter half of this thesis focuses on possible routes beyond the fixed-node approximation. As a first step, we utilize the variational principle inherent in the path integral Monte Carlo method to optimize the nodal surface. By using a ansatz resembling a free particle density matrix, we make a unique connection between a nodal effective mass and the traditional effective mass of many-body quantum theory. We then propose and test several alternate nodal ansatzes and apply them to single atomic systems. Finally, we propose a method to tackle the sign problem head on, by leveraging the relatively simple structure of permutation space. Using this method, we find we can perform exact simulations this of the electron gas and 3He that were previously impossible.

Simulation of Impact on a Ductile Polymer Plate

NASA Technical Reports Server (NTRS)

Cremona, Rebecca L.; Hinkley, Jeffrey A.

2005-01-01

Explicit finite element calculations were used to visualize the deformation and temperature rise in an elastic-plastic plate impacted by a rigid projectile. Results were compared to results of experiments involving ballistic penetration of a "self-healing" thermoplastic. The calculated temperature rise agreed well with the experimental observation, but the total energy absorbed in the penetration event was underestimated in the calculation, which neglected friction.

QCD thermodynamics with two flavors of quarks[1

NASA Astrophysics Data System (ADS)

MIMD lattice Computations (MILC) Collaboration

We present results of numerical simulations of quantum chromodynamics at finite temperature on the Intel iPSC/860 parallel processor. We performed calculations with two flavors of Kogut-Susskind quarks and of Wilson quarks on 6 × 12 3 lattices in order to study the crossover from the low temperature hadronic regime to the high temperature regime. We investigate the properties of the objects whose exchange gives static screening lengths be reconstructing their correlated quark-antiquark structure.

A Thermal Performance Analysis and Comparison of Fiber Coils with the D-CYL Winding and QAD Winding Methods.

PubMed

Li, Xuyou; Ling, Weiwei; He, Kunpeng; Xu, Zhenlong; Du, Shitong

2016-06-16

The thermal performance under variable temperature conditions of fiber coils with double-cylinder (D-CYL) and quadrupolar (QAD) winding methods is comparatively analyzed. Simulation by the finite element method (FEM) is done to calculate the temperature distribution and the thermal-induced phase shift errors in the fiber coils. Simulation results reveal that D-CYL fiber coil itself has fragile performance when it experiences an axially asymmetrical temperature gradient. However, the axial fragility performance could be improved when the D-CYL coil meshes with a heat-off spool. Through further simulations we find that once the D-CYL coil is provided with an axially symmetrical temperature environment, the thermal performance of fiber coils with the D-CYL winding method is better than that with the QAD winding method under the same variable temperature conditions. This valuable discovery is verified by two experiments. The D-CYL winding method is thus promising to overcome the temperature fragility of interferometric fiber optic gyroscopes (IFOGs).

A Thermal Performance Analysis and Comparison of Fiber Coils with the D-CYL Winding and QAD Winding Methods

PubMed Central

Li, Xuyou; Ling, Weiwei; He, Kunpeng; Xu, Zhenlong; Du, Shitong

2016-01-01

The thermal performance under variable temperature conditions of fiber coils with double-cylinder (D-CYL) and quadrupolar (QAD) winding methods is comparatively analyzed. Simulation by the finite element method (FEM) is done to calculate the temperature distribution and the thermal-induced phase shift errors in the fiber coils. Simulation results reveal that D-CYL fiber coil itself has fragile performance when it experiences an axially asymmetrical temperature gradient. However, the axial fragility performance could be improved when the D-CYL coil meshes with a heat-off spool. Through further simulations we find that once the D-CYL coil is provided with an axially symmetrical temperature environment, the thermal performance of fiber coils with the D-CYL winding method is better than that with the QAD winding method under the same variable temperature conditions. This valuable discovery is verified by two experiments. The D-CYL winding method is thus promising to overcome the temperature fragility of interferometric fiber optic gyroscopes (IFOGs). PMID:27322271

Stratospheric Impact of Varying Sea Surface Temperatures

NASA Technical Reports Server (NTRS)

Newman, Paul A.; Nash, Eric R.; Nielsen, Jon E.; Waugh, Darryn; Pawson, Steven

2004-01-01

The Finite-Volume General Circulation Model (FVGCM) has been run in 50 year simulations with the: 1) 1949-1999 Hadley Centre sea surface temperatures (SST), and 2) a fixed annual cycle of SSTs. In this presentation we first show that the 1949-1999 FVGCM simulation produces a very credible stratosphere in comparison to an NCEP/NCAR reanalysis climatology. In particular, the northern hemisphere has numerous major and minor stratospheric warming, while the southern hemisphere has only a few over the 50-year simulation. During the northern hemisphere winter, temperatures are both warmer in the lower stratosphere and the polar vortex is weaker than is found in the mid-winter southern hemisphere. Mean temperature differences in the lower stratosphere are shown to be small (less than 2 K), and planetary wave forcing is found to be very consistent with the climatology. We then will show the differences between our varying SST simulation and the fixed SST simulation in both the dynamics and in two parameterized trace gases (ozone and methane). In general, differences are found to be small, with subtle changes in planetary wave forcing that lead to reduced temperatures in the SH and increased temperatures in the NH.

ANSYS-Based Simulation and Optimization on Temperature Field of Amorphous Ingot Made by Water Quenching

NASA Astrophysics Data System (ADS)

Zhao, W.; Sun, Z.; Tang, Z.; Liaw, P. K.; Li, J.; Liu, R. P.; Li, Gong

2014-05-01

2D finite element analysis was conducted on the temperature field to create an amorphous ingot by vacuum water quenching. An optimized analysis document was then written by ANSYS parametric design language, and the optimal design modules of ANSYS were used to study the inside diameter and wall thickness of the quartz tube, as well as the water temperature. The microstructure and the phase structure of the amorphous ingot were evaluated by scanning electron microscopy and X-ray diffraction, respectively. Results show that during the cooling process, the thinner wall thickness, smaller diameter of the ingot, or lower temperature of the water environment can result in higher cooling rate at a given temperature. Besides, the gap between the different cooling rates induced by wall thickness or diameter of the ingot narrows down as the temperature decreases, and the gap between the different cooling rates induced by temperature of the water environment remains constant. The process parameters in creating an amorphous ingot, which is optimized by the finite element analysis on the temperature field, are reliable.

Sealing behavior of Container Closure Systems under Frozen Storage Conditions: Nonlinear Finite Element Simulation of Serum Rubber Stoppers.

PubMed

Nieto, Alejandra; Roehl, Holger

2018-03-15

There has been a growing interest in recent years in the assessment of suitable vial/stopper combinations for storage and shipment of frozen drug products. Considering that the glass transition temperature (Tg) of butyl rubber stoppers used in Container Closure Systems (CCS) is between -55°C to -65°C, a storage or shipment temperature of a frozen product below the Tg of the rubber stopper, may require special attention, since below the Tg the rubber becomes more plastic-like and loses its elastic (sealing) characteristics. Thus they risk maintaining Container Closure Integrity (CCI). Given that the rubber regains its elastic properties and reseals after rewarming to ambient temperature, leaks during frozen temperature storage and transportation are transient and the CCI methods used at room temperature conditions are unable to confirm CCI in the frozen state. Hence, several experimental methods have been developed in recent years in order to evaluate CCI at low temperatures. Finite Element (FE) simulations were applied in order to investigate the sealing behaviour of rubber stoppers for the drug product CCS under frozen storage conditions. FE analysis can help reducing the experimental design space and thus number of measurements needed, as they can be used as an ad-on to experimental testing. Several scenarios have been simulated including the effect of thermal history, rubber type, storage time, worst case CCS geometric tolerances and capping pressure. The results of these calculations have been validated with experimental data derived from laboratory experiments (CCI at low temperatures), and a concept for tightness has been developed. It has been concluded that FE simulations have the potential to become a powerful predictive tool towards a better understanding of the influence of cold storage on the rubber sealing properties (and hence on CCI) when dealing with frozen drug products. Copyright © 2018, Parenteral Drug Association.

Process Simulation of Aluminium Sheet Metal Deep Drawing at Elevated Temperatures

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

Winklhofer, Johannes; Trattnig, Gernot; Lind, Christoph

Lightweight design is essential for an economic and environmentally friendly vehicle. Aluminium sheet metal is well known for its ability to improve the strength to weight ratio of lightweight structures. One disadvantage of aluminium is that it is less formable than steel. Therefore complex part geometries can only be realized by expensive multi-step production processes. One method for overcoming this disadvantage is deep drawing at elevated temperatures. In this way the formability of aluminium sheet metal can be improved significantly, and the number of necessary production steps can thereby be reduced. This paper introduces deep drawing of aluminium sheet metalmore » at elevated temperatures, a corresponding simulation method, a characteristic process and its optimization. The temperature and strain rate dependent material properties of a 5xxx series alloy and their modelling are discussed. A three dimensional thermomechanically coupled finite element deep drawing simulation model and its validation are presented. Based on the validated simulation model an optimised process strategy regarding formability, time and cost is introduced.« less

A unique set of micromechanics equations for high temperature metal matrix composites

NASA Technical Reports Server (NTRS)

Hopkins, D. A.; Chamis, C. C.

1985-01-01

A unique set of micromechanic equations is presented for high temperature metal matrix composites. The set includes expressions to predict mechanical properties, thermal properties and constituent microstresses for the unidirectional fiber reinforced ply. The equations are derived based on a mechanics of materials formulation assuming a square array unit cell model of a single fiber, surrounding matrix and an interphase to account for the chemical reaction which commonly occurs between fiber and matrix. A three-dimensional finite element analysis was used to perform a preliminary validation of the equations. Excellent agreement between properties predicted using the micromechanics equations and properties simulated by the finite element analyses are demonstrated. Implementation of the micromechanics equations as part of an integrated computational capability for nonlinear structural analysis of high temperature multilayered fiber composites is illustrated.

Possible higher order phase transition in large-N gauge theory at finite temperature

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

Nishimura, Hiromichi

2017-08-07

We analyze the phase structure of SU(¥) gauge theory at finite temperature using matrix models. Our basic assumption is that the effective potential is dominated by double-trace terms for the Polyakov loops. As a function of the temperature, a background field for the Polyakov loop, and a quartic coupling, it exhibits a universal structure: in the large portion of the parameter space, there is a continuous phase transition analogous to the third-order phase transition of Gross,Witten and Wadia, but the order of phase transition can be higher than third. We show that different confining potentials give rise to drastically differentmore » behavior of the eigenvalue density and the free energy. Therefore lattice simulations at large N could probe the order of phase transition and test our results. Critical« less

Oxygen Diffusion and Reaction Kinetics in Continuous Fiber Ceramic Matrix Composites

NASA Technical Reports Server (NTRS)

Halbig, Michael C.; Eckel, Andrew J.; Cawley, James D.

1999-01-01

Previous stressed oxidation tests of C/SiC composites at elevated temperatures (350 C to 1500 C) and sustained stresses (69 MPa and 172 MPa) have led to the development of a finite difference cracked matrix model. The times to failure in the samples suggest oxidation occurred in two kinetic regimes defined by the rate controlling mechanisms (i.e. diffusion controlled and reaction controlled kinetics). Microstructural analysis revealed preferential oxidation along as-fabricated, matrix microcracks and also suggested two regimes of oxidation kinetics dependent on the oxidation temperature. Based on experimental results, observation, and theory, a finite difference model was developed. The model simulates the diffusion of oxygen into a matrix crack bridged by carbon fibers. The model facilitates the study of the relative importance of temperature, the reaction rate constant, and the diffusion coefficient on the overall oxidation kinetics.

Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution

NASA Astrophysics Data System (ADS)

Olsen, Jógvan Magnus Haugaard; Hedegård, Erik Donovan

The absorption spectrum of the MnO$_{4}$$^{-}$ ion has been a test-bed for quantum-chemical methods over the last decades. Its correct description requires highly-correlated multiconfigurational methods, which are incompatible with the inclusion of finite-temperature and solvent effects due to their high computational demands. Therefore, implicit solvent models are usually employed. Here we show that implicit solvent models are not sufficiently accurate to model the solvent shift of MnO$_{4}$$^{-}$, and we analyze the origins of their failure. We obtain the correct solvent shift for MnO$_{4}$$^{-}$ in aqueous solution by employing the polarizable embedding (PE) model combined with a range-separated complete active space short-range density functional theory method (CAS-srDFT). Finite-temperature effects are taken into account by averaging over structures obtained from ab initio molecular dynamics simulations. The explicit treatment of finite-temperature and solvent effects facilitates the interpretation of the bands in the low-energy region of the MnO$_{4}$$^{-}$ absorption spectrum, whose assignment has been elusive.

Real-time first-principles simulations of thermionic emission from N-doped diamond surfaces

NASA Astrophysics Data System (ADS)

Shinozaki, Tomoki; Hagiwara, Satoshi; Morioka, Naoya; Kimura, Yuji; Watanabe, Kazuyuki

2018-06-01

We investigate thermionic emission from N-doped C(100) surfaces terminated with H or Li atoms using finite-temperature real-time density functional theory simulations. The current–temperature characteristics are found to follow the Richardson–Dushman (RD) equation, which was derived from a semiclassical theory. However, the Richardson constants are two orders of magnitude smaller than the ideal values from the RD theory. This considerable reduction is attributed primarily to the extremely low transmission probability of electrons from the surfaces toward the vacuum. The present method enables straightforward evaluation of the ideal efficiency of a thermionic energy converter.

Finite element study of three dimensional radiative nano-plasma flow subject to Hall and ion slip currents

NASA Astrophysics Data System (ADS)

Nawaz, M.; Zubair, T.

In this article, we developed a computer code of Galerikan Finite Element method (GFEM) for three dimensional flow equations of nano-plasma fluid (blood) in the presence of uniform applied magnetic field when Hall and ion slip current are significant. Lorentz force is calculated through generalized Ohm's law with Maxwell equations. A series of numerical simulations are carried out to search ηmax and algebraic equations are solved by Gauss-Seidel method with simulation tolerance 10-8 . Simulated results for special case have an excellent agreement with the already published results. Velocity components and temperature of the nano-plasma (blood) are influenced significantly by the inclusion of nano-particles of Copper (Cu) and Silver (Ag). Heat enhancement is observed when copper and silver nonmagnetic nanoparticles are used instead of simple base fluid (conventional fluid). Radiative nature of nano-plasma in the presence of magnetic field causes a decrease in the temperature due to the transfer of heat by the electromagnetic waves. In contrast to this, due to heat dissipated by Joule heating and viscous dissipation phenomena, temperature of nano-plasmaincreases as thermal radiation parameter is increased. Thermal boundary layer thickness can be controlled by using radiative fluid instead of non-radiative fluid. Momentum boundary layer thickness can be reduced by increasing the intensity of the applied magnetic field. Temperature of plasma in the presence magnetic field is higher than the plasma in the absence of magnetic field.

Finite Element Analysis of Lamb Waves Acting within a Thin Aluminum Plate

DTIC Science & Technology

2007-09-01

signal to avoid time aliasing % LambWaveMode % lamb wave mode to simulate; use proper phase velocity curve % thickness % thickness of...analysis of the simulated signal response data demonstrated that elevated temperatures delay wave propagation, although the delays are minimal at the...Echo Techniques Ultrasonic NDE techniques are based on the propagation and reflection of elastic waves , with the assumption that damage in the

Finite Element Modeling of the Behavior of Armor Materials Under High Strain Rates and Large Strains

NASA Astrophysics Data System (ADS)

Polyzois, Ioannis

For years high strength steels and alloys have been widely used by the military for making armor plates. Advances in technology have led to the development of materials with improved resistance to penetration and deformation. Until recently, the behavior of these materials under high strain rates and large strains has been primarily based on laboratory testing using the Split Hopkinson Pressure Bar apparatus. With the advent of sophisticated computer programs, computer modeling and finite element simulations are being developed to predict the deformation behavior of these metals for a variety of conditions similar to those experienced during combat. In the present investigation, a modified direct impact Split Hopkinson Pressure Bar apparatus was modeled using the finite element software ABAQUS 6.8 for the purpose of simulating high strain rate compression of specimens of three armor materials: maraging steel 300, high hardness armor (HHA), and aluminum alloy 5083. These armor materials, provided by the Canadian Department of National Defence, were tested at the University of Manitoba by others. In this study, the empirical Johnson-Cook visco-plastic and damage models were used to simulate the deformation behavior obtained experimentally. A series of stress-time plots at various projectile impact momenta were produced and verified by comparison with experimental data. The impact momentum parameter was chosen rather than projectile velocity to normalize the initial conditions for each simulation. Phenomena such as the formation of adiabatic shear bands caused by deformation at high strains and strain rates were investigated through simulations. It was found that the Johnson-Cook model can accurately simulate the behavior of body-centered cubic (BCC) metals such as steels. The maximum shear stress was calculated for each simulation at various impact momenta. The finite element model showed that shear failure first occurred in the center of the cylindrical specimen and propagated outwards diagonally towards the front and back edges forming an hourglass pattern. This pattern matched the failure behavior of specimens tested experimentally, which also exhibited failure through the formation of adiabatic shear bands. Adiabatic shear bands are known to lead to a complete shear failure. Both mechanical and thermal mechanisms contribute to the formation of shear bands. However, the finite element simulations did not show the effects of temperature rise within the material, a phenomenon which is known to contribute to thermal instabilities, whereby strain hardening effects are outweighed by thermal softening effects and adiabatic shear bands begin to form. In the simulations, the purely mechanical maximum shear stress failure, nucleating from the center of the specimens, was used as an indicator of the time at which these shear bands begin to form. The time and compressive stress at the moment of thermal instability in experimental results which have shown to form adiabatic shear bands, matched closely to those at which shear failure was first observed in the simulations. Although versatile in modeling BCC behavior, the Johnson-Cook model did not show the correct stress response in face-centered cubic (FCC) metals, such as aluminum 5083, where effects of strain rate and temperature depend on strain. Similar observations have been reported in literature. In the Johnson-Cook model, temperature, strain rate and strain" parameters are independent of each other. To this end, a more physical-based model based on dislocation mechanics, namely the Feng and Bassim constitutive model, would be more appropriate.

Numerical simulation of the laser welding process for the prediction of temperature distribution on welded aluminium aircraft components

NASA Astrophysics Data System (ADS)

Tsirkas, S. A.

2018-03-01

The present investigation is focused to the modelling of the temperature field in aluminium aircraft components welded by a CO2 laser. A three-dimensional finite element model has been developed to simulate the laser welding process and predict the temperature distribution in T-joint laser welded plates with fillet material. The simulation of the laser beam welding process was performed using a nonlinear heat transfer analysis, based on a keyhole formation model analysis. The model employs the technique of element ;birth and death; in order to simulate the weld fillet. Various phenomena associated with welding like temperature dependent material properties and heat losses through convection and radiation were accounted for in the model. The materials considered were 6056-T78 and 6013-T4 aluminium alloys, commonly used for aircraft components. The temperature distribution during laser welding process has been calculated numerically and validated by experimental measurements on different locations of the welded structure. The numerical results are in good agreement with the experimental measurements.

Two-dimensional thermal modeling of power monolithic microwave integrated circuits (MMIC's)

NASA Technical Reports Server (NTRS)

Fan, Mark S.; Christou, Aris; Pecht, Michael G.

1992-01-01

Numerical simulations of the two-dimensional temperature distributions for a typical GaAs MMIC circuit are conducted, aiming at understanding the heat conduction process of the circuit chip and providing temperature information for device reliability analysis. The method used is to solve the two-dimensional heat conduction equation with a control-volume-based finite difference scheme. In particular, the effects of the power dissipation and the ambient temperature are examined, and the criterion for the worst operating environment is discussed in terms of the allowed highest device junction temperature.

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

Ozturk, Fahrettin; Toros, Serkan; Evis, Zafer

In this study, the diametral strength test of sintered hydroxyapatite was simulated by the finite element software, ABAQUS/Standard. Stress distributions on diametral test sample were determined. The effect of sintering temperature on stress distribution of hydroxyapatite was studied. It was concluded that high sintering temperatures did not reduce the stress on hydroxyapatite. It had a negative effect on stress distribution of hydroxyapatite after 1300 deg. C. In addition to the porosity, other factors (sintering temperature, presence of phases and the degree of crystallinity) affect the diametral strength of the hydroxyapatite.

Frustrated honeycomb-lattice bilayer quantum antiferromagnet in a magnetic field

NASA Astrophysics Data System (ADS)

Krokhmalskii, Taras; Baliha, Vasyl; Derzhko, Oleg; Schulenburg, Jörg; Richter, Johannes

2018-05-01

Frustrated bilayer quantum magnets have attracted attention as flat-band spin systems with unconventional thermodynamic properties. We study the low-temperature properties of a frustrated honeycomb-lattice bilayer spin-1/2 isotropic (XXX) Heisenberg antiferromagnet in a magnetic field by means of an effective low-energy theory using exact diagonalizations and quantum Monte Carlo simulations. Our main focus is on the magnetization curve and the temperature dependence of the specific heat indicating a finite-temperature phase transition in high magnetic fields.

Thermo-optic characteristics and switching power limit of slow-light photonic crystal structures on a silicon-on-insulator platform.

PubMed

Chahal, Manjit; Celler, George K; Jaluria, Yogesh; Jiang, Wei

2012-02-13

Employing a semi-analytic approach, we study the influence of key structural and optical parameters on the thermo-optic characteristics of photonic crystal waveguide (PCW) structures on a silicon-on-insulator (SOI) platform. The power consumption and spatial temperature profile of such structures are given as explicit functions of various structural, thermal and optical parameters, offering physical insight not available in finite-element simulations. Agreement with finite-element simulations and experiments is demonstrated. Thermal enhancement of the air-bridge structure is analyzed. The practical limit of thermo-optic switching power in slow light PCWs is discussed, and the scaling with key parameters is analyzed. Optical switching with sub-milliwatt power is shown viable.

Magnetic fields end-face effect investigation of HTS bulk over PMG with 3D-modeling numerical method

NASA Astrophysics Data System (ADS)

Qin, Yujie; Lu, Yiyun

2015-09-01

In this paper, the magnetic fields end-face effect of high temperature superconducting (HTS) bulk over a permanent magnetic guideway (PMG) is researched with 3D-modeling numerical method. The electromagnetic behavior of the bulk is simulated using finite element method (FEM). The framework is formulated by the magnetic field vector method (H-method). A superconducting levitation system composed of one rectangular HTS bulk and one infinite long PMG is successfully investigated using the proposed method. The simulation results show that for finite geometrical HTS bulk, even the applied magnetic field is only distributed in x-y plane, the magnetic field component Hz which is along the z-axis can be observed interior the HTS bulk.

A computer test of holographic flavour dynamics. Part II

NASA Astrophysics Data System (ADS)

Asano, Yuhma; Filev, Veselin G.; Kováčik, Samuel; O'Connor, Denjoe

2018-03-01

We study the second derivative of the free energy with respect to the fundamental mass (the mass susceptibility) for the Berkooz-Douglas model as a function of temperature and at zero mass. The model is believed to be holographically dual to a D0/D4 intersection. We perform a lattice simulation of the system at finite temperature and find excellent agreement with predictions from the gravity dual.

Quark-hadron phase structure of QCD matter from SU(4) Polyakov linear sigma model

NASA Astrophysics Data System (ADS)

Diab, Abdel Magied Abdel Aal; Tawfik, Abdel Nasser

2018-04-01

The SU(4) Polyakov linear sigma model (PLSM) is extended towards characterizing the chiral condensates, σl, σs and σc of light, strange and charm quarks, respectively and the deconfinement order-parameters φ and φ at finite temperatures and densities (chemical potentials). The PLSM is considered to study the QCD equation of state in the presence of the chiral condensate of charm for different finite chemical potentials. The PLSM results are in a good agreement with the recent lattice QCD simulations. We conclude that, the charm condensate is likely not affected by the QCD phase-transition, where the corresponding critical temperature is greater than that of the light and strange quark condensates.

Elevated temperature crack growth

NASA Technical Reports Server (NTRS)

Kim, K. S.; Vanstone, R. H.; Malik, S. N.; Laflen, J. H.

1988-01-01

A study was performed to examine the applicability of path-independent (P-I) integrals to crack growth problems in hot section components of gas turbine aircraft engines. Alloy 718 was used and the experimental parameters included combined temperature and strain cycling, thermal gradients, elastic-plastic strain levels, and mean strains. A literature review was conducted of proposed P-I integrals, and those capable of analyzing hot section component problems were selected and programmed into the postprocessor of a finite element code. Detailed elastic-plastic finite element analyses were conducted to simulate crack growth and crack closure of the test specimen, and to evaluate the P-I integrals. It was shown that the selected P-I integrals are very effective for predicting crack growth for isothermal conditions.

Cryotherapy simulator for localized prostate cancer.

PubMed

Hahn, James K; Manyak, Michael J; Jin, Ge; Kim, Dongho; Rewcastle, John; Kim, Sunil; Walsh, Raymond J

2002-01-01

Cryotherapy is a treatment modality that uses a technique to selectively freeze tissue and thereby cause controlled tissue destruction. The procedure involves placement of multiple small diameter probes through the perineum into the prostate tissue at selected spatial intervals. Transrectal ultrasound is used to properly position the cylindrical probes before activation of the liquid Argon cooling element, which lowers the tissue temperature below -40 degrees Centigrade. Tissue effect is monitored by transrectal ultrasound changes as well as thermocouples placed in the tissue. The computer-based cryotherapy simulation system mimics the major surgical steps involved in the procedure. The simulated real-time ultrasound display is generated from 3-D ultrasound datasets where the interaction of the ultrasound with the instruments as well as the frozen tissue is simulated by image processing. The thermal and mechanical simulations of the tissue are done using a modified finite-difference/finite-element method optimized for real-time performance. The simulator developed is a part of a comprehensive training program, including a computer-based learning system and hands-on training program with a proctor, designed to familiarize the physician with the technique and equipment involved.

Simulation Analysis of Temperature Field in the Heat Transfer Process of Shell

NASA Astrophysics Data System (ADS)

Zhang, Di; Luo, Zhen; Xuan, Wenbo

Sea temperature is the key factors that determines whether shellfish can maintain normal growth development and survival, as protective film, the shell is a very important part of structure of shellfish, so the research of heat transfer characteristics become very important. In this paper, we firstly make a comprehensive analysis on the appearance of the shell, for the next simulation builds a good foundation, and based on the large general finite element analysis software ANSYS, we analyze the thermodynamics of shells, study the effect of the shell thickness and structure on heat transfer time. And through apply different temperature load, analyze the heat transfer characteristics and temperature distribution of the shells, It is expected that the results is useful at the biological heat transfer of shellfish.

Bypassing the malfunction junction in warm dense matter simulations

NASA Astrophysics Data System (ADS)

Cangi, Attila; Pribram-Jones, Aurora

2015-03-01

Simulation of warm dense matter requires computational methods that capture both quantum and classical behavior efficiently under high-temperature and high-density conditions. The state-of-the-art approach to model electrons and ions under those conditions is density functional theory molecular dynamics, but this method's computational cost skyrockets as temperatures and densities increase. We propose finite-temperature potential functional theory as an in-principle-exact alternative that suffers no such drawback. In analogy to the zero-temperature theory developed previously, we derive an orbital-free free energy approximation through a coupling-constant formalism. Our density approximation and its associated free energy approximation demonstrate the method's accuracy and efficiency. A.C. has been partially supported by NSF Grant CHE-1112442. A.P.J. is supported by DOE Grant DE-FG02-97ER25308.

Determination of temperature dependence of full matrix material constants of PZT-8 piezoceramics using only one sample.

PubMed

Zhang, Yang; Tang, Liguo; Tian, Hua; Wang, Jiyang; Cao, Wenwu; Zhang, Zhongwu

2017-08-15

Resonant ultrasound spectroscopy (RUS) was used to determine the temperature dependence of full matrix material constants of PZT-8 piezoceramics from room temperature to 100 °C. Property variations from sample to samples can be eliminated by using only one sample, so that data self-consistency can be guaranteed. The RUS measurement system error was estimated to be lower than 2.35%. The obtained full matrix material constants at different temperatures all have excellent self-consistency, which can help accurately predict device performance at high temperatures using finite element simulations.

The study of heat penetration of kimchi soup on stationary and rotary retorts.

PubMed

Cho, Won-Il; Park, Eun-Ji; Cheon, Hee Soon; Chung, Myong-Soo

2015-03-01

The aim of this study was to determine the heat-penetration characteristics using stationary and rotary retorts to manufacture Kimchi soup. Both heat-penetration tests and computer simulation based on mathematical modeling were performed. The sterility was measured at five different positions in the pouch. The results revealed only a small deviation of F 0 among the different positions, and the rate of heat transfer was increased by rotation of the retort. The thermal processing of retort-pouched Kimchi soup was analyzed mathematically using a finite-element model, and optimum models for predicting the time course of the temperature and F 0 were developed. The mathematical models could accurately predict the actual heat penetration of retort-pouched Kimchi soup. The average deviation of the temperature between the experimental and mathematical predicted model was 2.46% (R(2)=0.975). The changes in nodal temperature and F 0 caused by microbial inactivation in the finite-element model predicted using the NISA program were very similar to that of the experimental data of for the retorted Kimchi soup during sterilization with rotary retorts. The correlation coefficient between the simulation using the NISA program and the experimental data was very high, at 99%.

The Study of Heat Penetration of Kimchi Soup on Stationary and Rotary Retorts

PubMed Central

Cho, Won-Il; Park, Eun-Ji; Cheon, Hee Soon; Chung, Myong-Soo

2015-01-01

The aim of this study was to determine the heat-penetration characteristics using stationary and rotary retorts to manufacture Kimchi soup. Both heat-penetration tests and computer simulation based on mathematical modeling were performed. The sterility was measured at five different positions in the pouch. The results revealed only a small deviation of F0 among the different positions, and the rate of heat transfer was increased by rotation of the retort. The thermal processing of retort-pouched Kimchi soup was analyzed mathematically using a finite-element model, and optimum models for predicting the time course of the temperature and F0 were developed. The mathematical models could accurately predict the actual heat penetration of retort-pouched Kimchi soup. The average deviation of the temperature between the experimental and mathematical predicted model was 2.46% (R2=0.975). The changes in nodal temperature and F0 caused by microbial inactivation in the finite-element model predicted using the NISA program were very similar to that of the experimental data of for the retorted Kimchi soup during sterilization with rotary retorts. The correlation coefficient between the simulation using the NISA program and the experimental data was very high, at 99%. PMID:25866751

Finite Atwood Number Effects on Deceleration-Phase Instability in Room-Temperature Direct-Drive Implosions

NASA Astrophysics Data System (ADS)

Miller, S.; Knauer, J. P.; Radha, P. B.; Goncharov, V. N.

2017-10-01

Performance degradation in direct-drive inertial confinement fusion implosions can be caused by several effects, one of which is Rayleigh-Taylor (RT) instability growth during the deceleration phase. In room-temperature plastic target implosions, this deceleration-phase RT growth is enhanced by the density discontinuity and finite Atwood numbers at the fuel-pusher interface. For the first time, an experimental campaign at the Omega Laser Facility systematically varied the ratio of deuterium-to-tritium (D-to-T) within the DT gas fill to change the Atwood number. The goal of the experiment was to understand the effects of Atwood number variation on observables like apparent ion temperature, yield, and variations in areal density and bulk fluid motion, which lead to broadening of neutron spectra along different lines of sight. Simulations by the hydrodynamic codes LILAC and DRACO were used to study growth rates for different D-to-T ratios and identify observable quantities effected by Atwood number variation. Results from simulations and the experiment are presented. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

Harnessing atomistic simulations to predict the rate at which dislocations overcome obstacles

NASA Astrophysics Data System (ADS)

Saroukhani, S.; Nguyen, L. D.; Leung, K. W. K.; Singh, C. V.; Warner, D. H.

2016-05-01

Predicting the rate at which dislocations overcome obstacles is key to understanding the microscopic features that govern the plastic flow of modern alloys. In this spirit, the current manuscript examines the rate at which an edge dislocation overcomes an obstacle in aluminum. Predictions were made using different popular variants of Harmonic Transition State Theory (HTST) and compared to those of direct Molecular Dynamics (MD) simulations. The HTST predictions were found to be grossly inaccurate due to the large entropy barrier associated with the dislocation-obstacle interaction. Considering the importance of finite temperature effects, the utility of the Finite Temperature String (FTS) method was then explored. While this approach was found capable of identifying a prominent reaction tube, it was not capable of computing the free energy profile along the tube. Lastly, the utility of the Transition Interface Sampling (TIS) approach was explored, which does not need a free energy profile and is known to be less reliant on the choice of reaction coordinate. The TIS approach was found capable of accurately predicting the rate, relative to direct MD simulations. This finding was utilized to examine the temperature and load dependence of the dislocation-obstacle interaction in a simple periodic cell configuration. An attractive rate prediction approach combining TST and simple continuum models is identified, and the strain rate sensitivity of individual dislocation obstacle interactions is predicted.

An Embedded Statistical Method for Coupling Molecular Dynamics and Finite Element Analyses

NASA Technical Reports Server (NTRS)

Saether, E.; Glaessgen, E.H.; Yamakov, V.

2008-01-01

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

A New Concurrent Multiscale Methodology for Coupling Molecular Dynamics and Finite Element Analyses

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin; Saether, Erik; Glaessgen, Edward H/.

2008-01-01

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis

DOE PAGES

Fattebert, Jean-Luc; Lau, Edmond Y.; Bennion, Brian J.; ...

2015-10-22

Enzymes are complicated solvated systems that typically require many atoms to simulate their function with any degree of accuracy. We have recently developed numerical techniques for large scale First-Principles molecular dynamics simulations and applied them to study the enzymatic reaction catalyzed by acetylcholinesterase. We carried out Density functional theory calculations for a quantum mechanical (QM) sub- system consisting of 612 atoms with an O(N) complexity finite-difference approach. The QM sub-system is embedded inside an external potential field representing the electrostatic effect due to the environment. We obtained finite temperature sampling by First-Principles molecular dynamics for the acylation reaction of acetylcholinemore » catalyzed by acetylcholinesterase. Our calculations shows two energies barriers along the reaction coordinate for the enzyme catalyzed acylation of acetylcholine. In conclusion, the second barrier (8.5 kcal/mole) is rate-limiting for the acylation reaction and in good agreement with experiment.« less

Toward transient finite element simulation of thermal deformation of machine tools in real-time

NASA Astrophysics Data System (ADS)

Naumann, Andreas; Ruprecht, Daniel; Wensch, Joerg

2018-01-01

Finite element models without simplifying assumptions can accurately describe the spatial and temporal distribution of heat in machine tools as well as the resulting deformation. In principle, this allows to correct for displacements of the Tool Centre Point and enables high precision manufacturing. However, the computational cost of FE models and restriction to generic algorithms in commercial tools like ANSYS prevents their operational use since simulations have to run faster than real-time. For the case where heat diffusion is slow compared to machine movement, we introduce a tailored implicit-explicit multi-rate time stepping method of higher order based on spectral deferred corrections. Using the open-source FEM library DUNE, we show that fully coupled simulations of the temperature field are possible in real-time for a machine consisting of a stock sliding up and down on rails attached to a stand.

Laser treatment of female stress urinary incontinence: optical, thermal, and tissue damage simulations

NASA Astrophysics Data System (ADS)

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

2016-02-01

Treatment of female stress urinary incontinence (SUI) by laser thermal remodeling of subsurface tissues is studied. Light transport, heat transfer, and thermal damage simulations were performed for transvaginal and transurethral methods. Monte Carlo (MC) provided absorbed photon distributions in tissue layers (vaginal wall, endopelvic fascia, urethral wall). Optical properties (n,μa,μs,g) were assigned to each tissue at λ=1064 nm. A 5-mm-diameter laser beam and power of 5 W for 15 s was used, based on previous experiments. MC output was converted into absorbed energy, serving as input for ANSYS finite element heat transfer simulations of tissue temperatures over time. Convective heat transfer was simulated with contact cooling probe set at 0 °C. Thermal properties (κ,c,ρ) were assigned to each tissue layer. MATLAB code was used for Arrhenius integral thermal damage calculations. A temperature matrix was constructed from ANSYS output, and finite sum was incorporated to approximate Arrhenius integral calculations. Tissue damage properties (Ea,A) were used to compute Arrhenius sums. For the transvaginal approach, 37% of energy was absorbed in endopelvic fascia layer with 0.8% deposited beyond it. Peak temperature was 71°C, treatment zone was 0.8-mm-diameter, and almost all of 2.7-mm-thick vaginal wall was preserved. For transurethral approach, 18% energy was absorbed in endopelvic fascia with 0.3% deposited beyond it. Peak temperature was 80°C, treatment zone was 2.0-mm-diameter, and only 0.6 mm of 2.4-mm-thick urethral wall was preserved. A transvaginal approach is more feasible than transurethral approach for laser treatment of SUI.

Finite element procedures for time-dependent convection-diffusion-reaction systems

NASA Technical Reports Server (NTRS)

Tezduyar, T. E.; Park, Y. J.; Deans, H. A.

1988-01-01

New finite element procedures based on the streamline-upwind/Petrov-Galerkin formulations are developed for time-dependent convection-diffusion-reaction equations. These procedures minimize spurious oscillations for convection-dominated and reaction-dominated problems. The results obtained for representative numerical examples are accurate with minimal oscillations. As a special application problem, the single-well chemical tracer test (a procedure for measuring oil remaining in a depleted field) is simulated numerically. The results show the importance of temperature effects on the interpreted value of residual oil saturation from such tests.

Direct Numerical Simulations of Concentration and Temperature Polarization in Direct Contact Membrane Distillation

NASA Astrophysics Data System (ADS)

Lou, Jincheng; Tilton, Nils

2017-11-01

Membrane distillation (MD) is a method of desalination with boundary layers that are challenging to simulate. MD is a thermal process in which warm feed and cool distilled water flow on opposite sides of a hydrophobic membrane. The temperature difference causes water to evaporate from the feed, travel through the membrane, and condense in the distillate. Two challenges to MD are temperature and concentration polarization. Temperature polarization represents a reduction in the transmembrane temperature difference due to heat transfer through the membrane. Concentration polarization describes the accumulation of solutes near the membrane. These phenomena reduce filtration and lead to membrane fouling. They are difficult to simulate due to the coupling between the velocity, temperature, and concentration fields on the membrane. Unsteady regimes are particularly challenging because noise at the outlets can pollute the near-membrane flow fields. We present the development of a finite-volume method for the simulation of fluid flow, heat, and mass transport in MD systems. Using the method, we perform a parametric study of the polarization boundary layers, and show that the concentration boundary layer shows self-similar behavior that satisfies power laws for the downstream growth. Funded by the U.S. Bureau of Reclamation.

Finite-size effects in simulations of electrolyte solutions under periodic boundary conditions

NASA Astrophysics Data System (ADS)

Thompson, Jeffrey; Sanchez, Isaac

The equilibrium properties of charged systems with periodic boundary conditions may exhibit pronounced system-size dependence due to the long range of the Coulomb force. As shown by others, the leading-order finite-size correction to the Coulomb energy of a charged fluid confined to a periodic box of volume V may be derived from sum rules satisfied by the charge-charge correlations in the thermodynamic limit V -> ∞ . In classical systems, the relevant sum rule is the Stillinger-Lovett second-moment (or perfect screening) condition. This constraint implies that for large V, periodicity induces a negative bias of -kB T(2 V) - 1 in the total Coulomb energy density of a homogeneous classical charged fluid of given density and temperature. We present a careful study of the impact of such finite-size effects on the calculation of solute chemical potentials from explicit-solvent molecular simulations of aqueous electrolyte solutions. National Science Foundation Graduate Research Fellowship Program, Grant No. DGE-1610403.

3DHYDROGEOCHEM: A 3-DIMENSIONAL MODEL OF DENSITY-DEPENDENT SUBSURFACE FLOW AND THERMAL MULTISPECIES-MULTICOMPONENT HYDROGEOCHEMICAL TRANSPORT

EPA Science Inventory

This report presents a three-dimensional finite-element numerical model designed to simulate chemical transport in subsurface systems with temperature effect taken into account. The three-dimensional model is developed to provide (1) a tool of application, with which one is able...

Concurrence of dynamical phase transitions at finite temperature in the fully connected transverse-field Ising model

NASA Astrophysics Data System (ADS)

Lang, Johannes; Frank, Bernhard; Halimeh, Jad C.

2018-05-01

We construct the finite-temperature dynamical phase diagram of the fully connected transverse-field Ising model from the vantage point of two disparate concepts of dynamical criticality. An analytical derivation of the classical dynamics and exact diagonalization simulations are used to study the dynamics after a quantum quench in the system prepared in a thermal equilibrium state. The different dynamical phases characterized by the type of nonanalyticities that emerge in an appropriately defined Loschmidt-echo return rate directly correspond to the dynamical phases determined by the spontaneous breaking of Z2 symmetry in the long-time steady state. The dynamical phase diagram is qualitatively different depending on whether the initial thermal state is ferromagnetic or paramagnetic. Whereas the former leads to a dynamical phase diagram that can be directly related to its equilibrium counterpart, the latter gives rise to a divergent dynamical critical temperature at vanishing final transverse-field strength.

Simulating Damage Due to a Lightning Strike Event: Effects of Temperature Dependent Properties on Interlaminar Damage

NASA Technical Reports Server (NTRS)

Ghezeljeh, Paria Naghipour; Pineda, Evan Jorge

2014-01-01

A multidirectional, carbon fiber-epoxy, composite panel is subjected to a simulated lightning strike, within a finite element method framework, and the effect of material properties on the failure (delamination) response is investigated through a detailed numerical study. The numerical model of the composite panel consists of individual homogenized plies with user-defined, cohesive interface elements between them. Lightning strikes are simulated as an assumed combination of excessive heat and high pressure loadings. It is observed that the initiation and propagation of lightning-induced delamination is a significant function of the temperature dependency of interfacial fracture toughness. This dependency must be defined properly in order to achieve reliable predictions of the present lightning-induced delamination in the composite panel.

Induction hardening treatment and simulation for a grey cast iron used in engine cylinder liners

NASA Astrophysics Data System (ADS)

Castellanos-Leal, E. L.; Miranda, D. A.; Coy, A. E.; Barrero, J. G.; González, J. A.; Vesga Rueda, O. P.

2017-01-01

In this research, a technical study of induction hardening in a grey cast iron used in engine cylinder liners manufactured by LAVCO Ltda., a Colombian foundry company, was carried out. Metallurgical parameters such as austenitization temperature, cooling rate, and quenching severity were determined. These factors are exclusively dependent on chemical composition and initial microstructure of grey cast iron. Simulations of induction heating through finite elements method were performed and, the most appropriate experimental conditions to achieve the critical transformation temperature was evaluated to reach a proper surface hardening on the piece. Preliminary results revealed an excellent approximation between simulation and heating test performed with a full bridge inverter voltage adapted with local technology.

Temperature Field Simulation of Powder Sintering Process with ANSYS

NASA Astrophysics Data System (ADS)

He, Hongxiu; Wang, Jun; Li, Shuting; Chen, Zhilong; Sun, Jinfeng; You, Ying

2018-03-01

Aiming at the “spheroidization phenomenon” in the laser sintering of metal powder and other quality problems of the forming parts due to the thermal effect, the finite element model of the three-dimensional transient metal powder was established by using the atomized iron powder as the research object. The simulation of the mobile heat source was realized by means of parametric design. The distribution of the temperature field during the sintering process under different laser power and different spot sizes was simulated by ANSYS software under the condition of fully considering the influence of heat conduction, thermal convection, thermal radiation and thermophysical parameters. The influence of these factors on the actual sintering process was also analyzed, which provides an effective way for forming quality control.

Simulation of Cooling Rate Effects on Ti-48Al-2Cr-2Nb Crack Formation in Direct Laser Deposition

NASA Astrophysics Data System (ADS)

Yan, Lei; Li, Wei; Chen, Xueyang; Zhang, Yunlu; Newkirk, Joe; Liou, Frank; Dietrich, David

2017-03-01

Transient temperature history is vital in direct laser deposition (DLD) as it reveals the cooling rate at specific temperatures. Cooling rate directly relates to phase transformation and types of microstructure formed in deposits. In this paper, finite element analysis simulation was employed to study the transient temperature history and cooling rate at different experimental setups in the Ti-48Al-2Cr-2Nb DLD process. An innovative prediction strategy was developed to model with a moving Gaussian distribution heat source and element birth and death technology in ANSYS®, and fabricate crack-free deposits. This approach helps to understand and analyze the impact of cooling rate and also explain phase information gathered from x-ray diffraction.

Predictive Finite Rate Model for Oxygen-Carbon Interactions at High Temperature

NASA Astrophysics Data System (ADS)

Poovathingal, Savio

An oxidation model for carbon surfaces is developed to predict ablation rates for carbon heat shields used in hypersonic vehicles. Unlike existing empirical models, the approach used here was to probe gas-surface interactions individually and then based on an understanding of the relevant fundamental processes, build a predictive model that would be accurate over a wide range of pressures and temperatures, and even microstructures. Initially, molecular dynamics was used to understand the oxidation processes on the surface. The molecular dynamics simulations were compared to molecular beam experiments and good qualitative agreement was observed. The simulations reproduced cylindrical pitting observed in the experiments where oxidation was rapid and primarily occurred around a defect. However, the studies were limited to small systems at low temperatures and could simulate time scales only of the order of nanoseconds. Molecular beam experiments at high surface temperature indicated that a majority of surface reaction products were produced through thermal mechanisms. Since the reactions were thermal, they occurred over long time scales which were computationally prohibitive for molecular dynamics to simulate. The experiments provided detailed dynamical data on the scattering of O, O2, CO, and CO2 and it was found that the data from molecular beam experiments could be used directly to build a model. The data was initially used to deduce surface reaction probabilities at 800 K. The reaction probabilities were then incorporated into the direct simulation Monte Carlo (DSMC) method. Simulations were performed where the microstructure was resolved and dissociated oxygen convected and diffused towards it. For a gas-surface temperature of 800 K, it was found that despite CO being the dominant surface reaction product, a gas-phase reaction forms significant CO2 within the microstructure region. It was also found that surface area did not play any role in concentration of reaction products because the reaction probabilities were in the diffusion dominant regime. The molecular beam data at different surface temperatures was then used to build a finite rate model. Each reaction mechanism and all rate parameters of the new model were determined individually based on the molecular beam data. Despite the experiments being performed at near vacuum conditions, the finite rate model developed using the data could be used at pressures and temperatures relevant to hypersonic conditions. The new model was implemented in a computational fluid dynamics (CFD) solver and flow over a hypersonic vehicle was simulated. The new model predicted similar overall mass loss rates compared to existing models, however, the individual species production rates were completely different. The most notable difference was that the new model (based on molecular beam data) predicts CO as the oxidation reaction product with virtually no CO2 production, whereas existing models predict the exact opposite trend. CO being the dominant oxidation product is consistent with recent high enthalpy wind tunnel experiments. The discovery that measurements taken in molecular beam facilities are able to determine individual reaction mechanisms, including dependence on surface coverage, opens up an entirely new way of constructing ablation models.

Simulation analysis of temperature control on RCC arch dam of hydropower station

NASA Astrophysics Data System (ADS)

XIA, Shi-fa

2017-12-01

The temperature analysis of roller compacted concrete (RCC) dam plays an important role in their design and construction. Based on three-dimensional finite element method, in the computation of temperature field, many cases are included, such as air temperature, elevated temperature by cement hydration heat, concrete temperature during placing, the influence of water in the reservoir, and boundary temperature. According to the corresponding parameters of RCC arch dam, the analysis of temperature field and stress field during the period of construction and operation is performed. The study demonstrates that detailed thermal stress analysis should be performed for RCC dams to provide a basis to minimize and control the occurrence of thermal cracking.

Simulation on friction taper plug welding of AA6063-20Gr metal matrix composite

NASA Astrophysics Data System (ADS)

Hynes, N. Rajesh Jesudoss; Nithin, Abeyram M.

2016-05-01

Friction taper plug welding a variant of friction welding is useful in welding of similar and dissimilar materials. It could be used for joining of composites to metals in sophisticated aerospace applications. In the present work numerical simulation of friction taper plug welding process is carried out using finite element based software. Graphite reinforced AA6063 is modelled using the software ANSYS 15.0 and temperature distribution is predicted. Effect of friction time on temperature distribution is numerically investigated. When the friction time is increased to 30 seconds, the tapered part of plug gets detached and fills the hole in the AA6063 plate perfectly.

Effective equilibrium picture in the x y model with exponentially correlated noise

NASA Astrophysics Data System (ADS)

Paoluzzi, Matteo; Marconi, Umberto Marini Bettolo; Maggi, Claudio

2018-02-01

We study the effect of exponentially correlated noise on the x y model in the limit of small correlation time, discussing the order-disorder transition in the mean field and the topological transition in two dimensions. We map the steady states of the nonequilibrium dynamics into an effective equilibrium theory. In the mean field, the critical temperature increases with the noise correlation time τ , indicating that memory effects promote ordering. This finding is confirmed by numerical simulations. The topological transition temperature in two dimensions remains untouched. However, finite-size effects induce a crossover in the vortices proliferation that is confirmed by numerical simulations.

Effective equilibrium picture in the xy model with exponentially correlated noise.

PubMed

Paoluzzi, Matteo; Marconi, Umberto Marini Bettolo; Maggi, Claudio

2018-02-01

We study the effect of exponentially correlated noise on the xy model in the limit of small correlation time, discussing the order-disorder transition in the mean field and the topological transition in two dimensions. We map the steady states of the nonequilibrium dynamics into an effective equilibrium theory. In the mean field, the critical temperature increases with the noise correlation time τ, indicating that memory effects promote ordering. This finding is confirmed by numerical simulations. The topological transition temperature in two dimensions remains untouched. However, finite-size effects induce a crossover in the vortices proliferation that is confirmed by numerical simulations.

A fast referenceless PRFS-based MR thermometry by phase finite difference

NASA Astrophysics Data System (ADS)

Zou, Chao; Shen, Huan; He, Mengyue; Tie, Changjun; Chung, Yiu-Cho; Liu, Xin

2013-08-01

Proton resonance frequency shift-based MR thermometry is a promising temperature monitoring approach for thermotherapy but its accuracy is vulnerable to inter-scan motion. Model-based referenceless thermometry has been proposed to address this problem but phase unwrapping is usually needed before the model fitting process. In this paper, a referenceless MR thermometry method using phase finite difference that avoids the time consuming phase unwrapping procedure is proposed. Unlike the previously proposed phase gradient technique, the use of finite difference in the new method reduces the fitting error resulting from the ringing artifacts associated with phase discontinuity in the calculation of the phase gradient image. The new method takes into account the values at the perimeter of the region of interest because of their direct relevance to the extrapolated baseline phase of the region of interest (where temperature increase takes place). In simulation study, in vivo and ex vivo experiments, the new method has a root-mean-square temperature error of 0.35 °C, 1.02 °C and 1.73 °C compared to 0.83 °C, 2.81 °C, and 3.76 °C from the phase gradient method, respectively. The method also demonstrated a slightly higher, albeit small, temperature accuracy than the original referenceless MR thermometry method. The proposed method is computationally efficient (∼0.1 s per image), making it very suitable for the real time temperature monitoring.

Three-Dimensional Finite-Element Simulation for a Thermoelectric Generator Module

NASA Astrophysics Data System (ADS)

Hu, Xiaokai; Takazawa, Hiroyuki; Nagase, Kazuo; Ohta, Michihiro; Yamamoto, Atsushi

2015-10-01

A three-dimensional closed-circuit numerical model of a thermoelectric generator (TEG) module has been constructed with COMSOL® Multiphysics to verify a module test system. The Seebeck, Peltier, and Thomson effects and Joule heating are included in the thermoelectric conversion model. The TEG model is employed to simulate the operation of a 16-leg TEG module based on bismuth telluride with temperature-dependent material properties. The module is mounted on a test platform, and simulated by combining the heat conduction process and thermoelectric conversion process. Simulation results are obtained for the terminal voltage, output power, heat flow, and efficiency as functions of the electric current; the results are compared with measurement data. The Joule and Thomson heats in all the thermoelectric legs, as functions of the electric current, are calculated by finite-element volume integration over the entire legs. The Peltier heat being pumped at the hot side and released at the cold side of the module are also presented in relation to the electric current. The energy balance relations between heat and electricity are verified to support the simulation.

Application of the time-temperature superposition principle to the mechanical characterization of elastomeric adhesives for crash simulation purposes

NASA Astrophysics Data System (ADS)

Rauh, A.; Hinterhölzl, R.; Drechsler, K.

2012-05-01

In the automotive industry, finite element simulation is widely used to ensure crashworthiness. Mechanical material data over wide strain rate and temperature ranges are required as a basis. This work proposes a method reducing the cost of mechanical material characterization by using the time-temperature superposition principle on elastomeric adhesives. The method is based on the time and temperature interdependence which is characteristic for mechanical properties of polymers. Based on the assumption that polymers behave similarly at high strain rates and at low temperatures, a temperature-dominated test program is suggested, which can be used to deduce strain rate dependent material behavior at different reference temperatures. The temperature shift factor is found by means of dynamic mechanical analysis according to the WLF-equation, named after Williams, Landel and Ferry. The principle is applied to the viscoelastic properties as well as to the failure properties of the polymer. The applicability is validated with high strain rate tests.

Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes.

PubMed

Zhou, Du; Yuan, Xi; Gao, Haoxiang; Wang, Ailing; Liu, Jun; El Fakir, Omer; Politis, Denis J; Wang, Liliang; Lin, Jianguo

2016-12-13

The use of Finite Element (FE) simulation software to adequately predict the outcome of sheet metal forming processes is crucial to enhancing the efficiency and lowering the development time of such processes, whilst reducing costs involved in trial-and-error prototyping. Recent focus on the substitution of steel components with aluminum alloy alternatives in the automotive and aerospace sectors has increased the need to simulate the forming behavior of such alloys for ever more complex component geometries. However these alloys, and in particular their high strength variants, exhibit limited formability at room temperature, and high temperature manufacturing technologies have been developed to form them. Consequently, advanced constitutive models are required to reflect the associated temperature and strain rate effects. Simulating such behavior is computationally very expensive using conventional FE simulation techniques. This paper presents a novel Knowledge Based Cloud FE (KBC-FE) simulation technique that combines advanced material and friction models with conventional FE simulations in an efficient manner thus enhancing the capability of commercial simulation software packages. The application of these methods is demonstrated through two example case studies, namely: the prediction of a material's forming limit under hot stamping conditions, and the tool life prediction under multi-cycle loading conditions.

Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes

PubMed Central

Zhou, Du; Yuan, Xi; Gao, Haoxiang; Wang, Ailing; Liu, Jun; El Fakir, Omer; Politis, Denis J.; Wang, Liliang; Lin, Jianguo

2016-01-01

The use of Finite Element (FE) simulation software to adequately predict the outcome of sheet metal forming processes is crucial to enhancing the efficiency and lowering the development time of such processes, whilst reducing costs involved in trial-and-error prototyping. Recent focus on the substitution of steel components with aluminum alloy alternatives in the automotive and aerospace sectors has increased the need to simulate the forming behavior of such alloys for ever more complex component geometries. However these alloys, and in particular their high strength variants, exhibit limited formability at room temperature, and high temperature manufacturing technologies have been developed to form them. Consequently, advanced constitutive models are required to reflect the associated temperature and strain rate effects. Simulating such behavior is computationally very expensive using conventional FE simulation techniques. This paper presents a novel Knowledge Based Cloud FE (KBC-FE) simulation technique that combines advanced material and friction models with conventional FE simulations in an efficient manner thus enhancing the capability of commercial simulation software packages. The application of these methods is demonstrated through two example case studies, namely: the prediction of a material's forming limit under hot stamping conditions, and the tool life prediction under multi-cycle loading conditions. PMID:28060298

Spread prediction model of continuous steel tube based on BP neural network

NASA Astrophysics Data System (ADS)

Zhai, Jian-wei; Yu, Hui; Zou, Hai-bei; Wang, San-zhong; Liu, Li-gang

2017-07-01

According to the geometric pass of roll and technological parameters of three-roller continuous mandrel rolling mill in a factory, a finite element model is established to simulate the continuous rolling process of seamless steel tube, and the reliability of finite element model is verified by comparing with the simulation results and actual results of rolling force, wall thickness and outer diameter of the tube. The effect of roller reduction, roller rotation speed and blooming temperature on the spread rule is studied. Based on BP(Back Propagation) neural network technology, a spread prediction model of continuous rolling tube is established for training wall thickness coefficient and spread coefficient of the continuous rolling tube, and the rapid and accurate prediction of continuous rolling tube size is realized.

Monte Carlo simulations of kagome lattices with magnetic dipolar interactions

NASA Astrophysics Data System (ADS)

Plumer, Martin; Holden, Mark; Way, Andrew; Saika-Voivod, Ivan; Southern, Byron

Monte Carlo simulations of classical spins on the two-dimensional kagome lattice with only dipolar interactions are presented. In addition to revealing the sixfold-degenerate ground state, the nature of the finite-temperature phase transition to long-range magnetic order is discussed. Low-temperature states consisting of mixtures of degenerate ground-state configurations separated by domain walls can be explained as a result of competing exchange-like and shape-anisotropy-like terms in the dipolar coupling. Fluctuations between pairs of degenerate spin configurations are found to persist well into the ordered state as the temperature is lowered until locking in to a low-energy state. Results suggest that the system undergoes a continuous phase transition at T ~ 0 . 43 in agreement with previous MC simulations but the nature of the ordering process differs. Preliminary results which extend this analysis to the 3D fcc ABC-stacked kagome systems will be presented.

Duality of two pairs of double-walled nanotubes consisting of S=1 and S=3/2 spins probed by means of a quantum simulation approach

NASA Astrophysics Data System (ADS)

Liu, Zhaosen; Ian, Hou

2017-01-01

Using a quantum simulation approach, we investigate in the present work the spontaneous magnetic properties of two pairs of double-walled cylindrical nanotubes consisting of different spins. Our simulated magnetic and thermodynamic properties for each pair of them are precisely identical, exhibiting a fascinating property of the nature world and demonstrating the correctness of our simulation approach. The second pair of nanotubes are frustrated, two magnetic phases of distinct spin configurations appear in the low temperature region, but only the inner layer consisting of small spins is frustrated evidently, its magnetization is considerably suppressed in the high temperature phase. Moreover, the nanosystems exhibit typical Ising-like behavior due to the uniaxial anisotropy along the z-direction, and evident finite-size effects as well.

Electron Thermal Transport due to Magnetic Diffusion in the MST RFP

NASA Astrophysics Data System (ADS)

Reusch, J. A.; Anderson, J. K.; den Hartog, D. J.; Forest, C. B.; Kasten, C. P.; Schnack, D. D.; Stephens, H. D.

2011-10-01

Comparison of measurements made in the MST RFP to the results from extensive nonlinear resistive MHD simulations has provided two key observations. First, trapped particles reduce electron thermal diffusion; inclusion of this effect is required for quantitative agreement of simulation to measurement. Second, the structure and evolution of long-wavelength temperature fluctuations measured in MST shows remarkable qualitative similarity to fluctuations appearing in a finite-pressure simulation. These simulations were run at parameters matching those of 400 kA discharges in MST (S ~ 4 ×106). In a zero β simulation, the measured χe is compared to the thermal diffusion due to parallel losses along diffusing magnetic field lines, χst =v∥Dmag . Agreement is only found if the reduction in χst due to trapped particles is taken into account. In a second simulation, the pressure field was evolved self consistently assuming Ohmic heating and anisotropic thermal conduction. Fluctuations in the simulated temperature are very similar in character and time evolution to temperature fluctuations measured in MST. This includes m = 1 , n = 6 fluctuations that flatten the temperature profile as well as m = 1 , n = 5 fluctuations that generate hot island structures near the core shortly after sawtooth crashes. This work supported by the US DOE and NSF.

Localized Overheating Phenomena and Optimization of Spark-Plasma Sintering Tooling Design

PubMed Central

Giuntini, Diletta; Olevsky, Eugene A.; Garcia-Cardona, Cristina; Maximenko, Andrey L.; Yurlova, Maria S.; Haines, Christopher D.; Martin, Darold G.; Kapoor, Deepak

2013-01-01

The present paper shows the application of a three-dimensional coupled electrical, thermal, mechanical finite element macro-scale modeling framework of Spark Plasma Sintering (SPS) to an actual problem of SPS tooling overheating, encountered during SPS experimentation. The overheating phenomenon is analyzed by varying the geometry of the tooling that exhibits the problem, namely by modeling various tooling configurations involving sequences of disk-shape spacers with step-wise increasing radii. The analysis is conducted by means of finite element simulations, intended to obtain temperature spatial distributions in the graphite press-forms, including punches, dies, and spacers; to identify the temperature peaks and their respective timing, and to propose a more suitable SPS tooling configuration with the avoidance of the overheating as a final aim. Electric currents-based Joule heating, heat transfer, mechanical conditions, and densification are imbedded in the model, utilizing the finite-element software COMSOL™, which possesses a distinguishing ability of coupling multiple physics. Thereby the implementation of a finite element method applicable to a broad range of SPS procedures is carried out, together with the more specific optimization of the SPS tooling design when dealing with excessive heating phenomena. PMID:28811398

Prediction of Turbulent Temperature Fluctuations in Hot Jets

NASA Technical Reports Server (NTRS)

Debonis, James R.

2017-01-01

Large-eddy simulations were used to investigate turbulent temperature fluctuations and turbulent heat flux in hot jets. A high-resolution finite-difference Navier-Stokes solver, WRLES, was used to compute the flow from a 2-inch round nozzle. Several different flow conditions, consisting of different jet Mach numbers and temperature ratios, were examined. Predictions of mean and fluctuating velocities were compared to previously obtained particle image velocimetry data. Predictions of mean and fluctuating temperature were compared to new data obtained using Raman spectroscopy. Based on the good agreement with experimental data for the individual quantities, the combined quantity turbulent heat flux was examined.

Hadron mass spectrum from lattice QCD.

PubMed

Majumder, Abhijit; Müller, Berndt

2010-12-17

Finite temperature lattice simulations of quantum chromodynamics (QCD) are sensitive to the hadronic mass spectrum for temperatures below the "critical" temperature T(c) ≈ 160 MeV. We show that a recent precision determination of the QCD trace anomaly shows evidence for the existence of a large number of hadron states beyond those known from experiment. The lattice results are well represented by an exponentially growing mass spectrum up to a temperature T=155 MeV. Using simple parametrizations of the hadron mass spectrum we show how one may estimate the total spectral weight in these yet undermined states.

Measurement and simulation of thermoelectric efficiency for single leg

NASA Astrophysics Data System (ADS)

Hu, Xiaokai; Yamamoto, Atsushi; Ohta, Michihiro; Nishiate, Hirotaka

2015-04-01

Thermoelectric efficiency measurements were carried out on n-type bismuth telluride legs with the hot-side temperature at 100 and 150 °C. The electric power and heat flow were measured individually. Water coolant was utilized to maintain the cold-side temperature and to measure heat flow out of the cold side. Leg length and vacuum pressure were studied in terms of temperature difference across the leg, open-circuit voltage, internal resistance, and heat flow. Finite-element simulation on thermoelectric generation was performed in COMSOL Multiphysics, by inputting two-side temperatures and thermoelectric material properties. The open-circuit voltage and resistance were in good agreement between the measurement and simulation. Much larger heat flows were found in measurements, since they were comprised of conductive, convective, and radiative contributions. Parasitic heat flow was measured in the absence of bismuth telluride leg, and the conductive heat flow was then available. Finally, the maximum thermoelectric efficiency was derived in accordance with the electric power and the conductive heat flow.

Multilayer adsorption of C2H4 and CF4 on graphite: Grand Canonical Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Abdelatif, H.; Drir, M.

2016-11-01

We study the phase transitions in adsorbed multilayers by Grand Canonical Monte Carlo simulations (GCMC) of the lattice-gas model. The focus will be on ethylene (C2H4) and tetrafluoromethane (CF4) on a homogeneous graphite surface. Earlier simulations of these systems investigated structural properties, dynamical behaviors of adsorbed films and thermodynamic quantities such as isosteric heat. The main purpose of this study is to consider the adsorbed multilayers by the evaluation of the layering behavior, the wetting phenomena and the critical temperatures. The isotherms obtained for temperature from 50 K to 170 K reproduce a number of interesting features observed experimentally: (i) we observe an important number of layers in contrast with previous simulations, (ii) a finite number of layers at saturated pressure for low temperatures are found, (iii) the isotherms present vertical steps typical of layer-by-layer growth, at higher temperatures these distinct layers tend to disappear signifying that the film thickness increases continuously, (iv) a thin film to thick film transition near the triple point temperature is noticed. In addition to this qualitative description, quantitative information are determined including temperatures and relative pressures of layers formation, layer-critical-point temperatures and phase diagrams. Comparing the two systems, ethylene/graphite and tetrafluoromethane/graphite, we observe a qualitatively similar behavior.

Performance and Reliability of Bonded Interfaces for High-temperature Packaging: Annual Progress Report

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

DeVoto, Douglas J.

2017-10-19

As maximum device temperatures approach 200 °Celsius, continuous operation, sintered silver materials promise to maintain bonds at these high temperatures without excessive degradation rates. A detailed characterization of the thermal performance and reliability of sintered silver materials and processes has been initiated for the next year. Future steps in crack modeling include efforts to simulate crack propagation directly using the extended finite element method (X-FEM), a numerical technique that uses the partition of unity method for modeling discontinuities such as cracks in a system.

Discontinuous Galerkin (DG) Method for solving time dependent convection-diffusion type temperature equation : Demonstration and Comparison with Other Methods in the Mantle Convection Code ASPECT

NASA Astrophysics Data System (ADS)

He, Y.; Puckett, E. G.; Billen, M. I.; Kellogg, L. H.

2016-12-01

For a convection-dominated system, like convection in the Earth's mantle, accurate modeling of the temperature field in terms of the interaction between convective and diffusive processes is one of the most common numerical challenges. In the geodynamics community using Finite Element Method (FEM) with artificial entropy viscosity is a popular approach to resolve this difficulty, but introduce numerical diffusion. The extra artificial viscosity added into the temperature system will not only oversmooth the temperature field where the convective process dominates, but also change the physical properties by increasing the local material conductivity, which will eventually change the local conservation of energy. Accurate modeling of temperature is especially important in the mantle, where material properties are strongly dependent on temperature. In subduction zones, for example, the rheology of the cold sinking slab depends nonlinearly on the temperature, and physical processes such as slab detachment, rollback, and melting all are sensitively dependent on temperature and rheology. Therefore methods that overly smooth the temperature may inaccurately represent the physical processes governing subduction, lithospheric instabilities, plume generation and other aspects of mantle convection. Here we present a method for modeling the temperature field in mantle dynamics simulations using a new solver implemented in the ASPECT software. The new solver for the temperature equation uses a Discontinuous Galerkin (DG) approach, which combines features of both finite element and finite volume methods, and is particularly suitable for problems satisfying the conservation law, and the solution has a large variation locally. Furthermore, we have applied a post-processing technique to insure that the solution satisfies a local discrete maximum principle in order to eliminate the overshoots and undershoots in the temperature locally. To demonstrate the capabilities of this new method we present benchmark results (e.g., falling sphere), and a simple subduction models with kinematic surface boundary condition. To evaluate the trade-offs in computational speed and solution accuracy we present results for the same benchmarks using the Finite Element entropy viscosity method available in ASPECT.

Modeling and Simulation of a Gallium Nitride (GaN) Betavoltaic Energy Converter

DTIC Science & Technology

2016-06-01

information if it does not display a currently valid OMB control number. PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ADDRESS. 1. REPORT DATE (DD-MM-YYYY...June 2016 2. REPORT TYPE Final 3. DATES COVERED (From - To) 05/2015–08/2015 4. TITLE AND SUBTITLE Modeling and Simulation of a Gallium Nitride...current battery technology has several drawbacks, such as charge leakage, temperature and environment sensitivity, and finite charge cycles. Radioisotope

A finite element method for the thermochemical decomposition of polymeric materials. II - Carbon phenolic composites

NASA Technical Reports Server (NTRS)

Sullivan, R. M.; Salamon, N. J.

1992-01-01

A previously developed formulation for modeling the thermomechanical behavior of chemically decomposing, polymeric materials is verified by simulating the response of carbon phenolic specimens during two high temperature tests: restrained thermal growth and free thermal expansion. Plane strain and plane stress models are used to simulate the specimen response, respectively. In addition, the influence of the poroelasticity constants upon the specimen response is examined through a series of parametric studies.

Effects of the regularization on the restoration of chiral and axial symmetries

NASA Astrophysics Data System (ADS)

Costa, P.; Ruivo, M. C.; de Sousa, C. A.

2008-05-01

The effects of a type of regularization for finite temperatures on the restoration of chiral and axial symmetries are investigated within the SU(3) Nambu-Jona-Lasinio model. The regularization consists in using an infinite cutoff in the integrals that are convergent at finite temperature, a procedure that allows one to take into account the effects of high momentum quarks at high temperatures. It is found that the critical temperature for the phase transition is closer to lattice results than the one obtained with the conventional regularization, and the restoration of chiral and axial symmetries, signaled by the behavior of several observables, occurs simultaneously and at a higher temperature. The restoration of the axial symmetry appears as a natural consequence of the full recovering of the chiral symmetry that was dynamically broken. By using an additional ansatz that simulates instanton suppression effects, by means of a convenient temperature dependence of the anomaly coefficient, we found that the restoration of U(2) symmetry is shifted to lower values, but the dominant effect at high temperatures comes from the new regularization that enhances the decrease of quark condensates, especially in the strange sector.

Fatigue life calculation of desuperheater for solving pipe cracking issue using finite element method (FEM) software

NASA Astrophysics Data System (ADS)

Kumar, Aravinda; Singh, Jeetendra Kumar; Mohan, K.

2012-06-01

Desuperheater assembly experiences thermal cycling in operation by design. During power plant's start up, load change and shut down, thermal gradient is highest. Desuperheater should be able to handle rapid ramp up or ramp down of temperature in these operations. With "hump style" two nozzle desuperheater, cracks were appearing in the pipe after only few cycles of operation. From the field data, it was clear that desuperheater is not able to handle disproportionate thermal expansion happening in the assembly during temperature ramp up and ramp down in operation and leading to cracks appearing in the piping. Growth of thermal fatigue crack is influenced by several factors including geometry, severity of thermal stress and applied mechanical load. This paper seeks to determine cause of failure of two nozzle "hump style" desuperheater using Finite Element Method (FEM) simulation technique. Thermal stress simulation and fatigue life calculation were performed using commercial FEA software "ANSYS" [from Ansys Inc, USA]. Simulation result showed that very high thermal stress is developing in the region where cracks are seen in the field. From simulation results, it is also clear that variable thermal expansion of two nozzle studs is creating high stress at the water manifold junction. A simple and viable solution is suggested by increasing the length of the manifold which solved the cracking issues in the pipe.

Artificial Neural Network-Based Three-dimensional Continuous Response Relationship Construction of 3Cr20Ni10W2 Heat-Resisting Alloy and Its Application in Finite Element Simulation

NASA Astrophysics Data System (ADS)

Li, Le; Wang, Li-yong

2018-04-01

The application of accurate constitutive relationship in finite element simulation would significantly contribute to accurate simulation results, which plays a critical role in process design and optimization. In this investigation, the true stress-strain data of 3Cr20Ni10W2 heat-resisting alloy were obtained from a series of isothermal compression tests conducted in a wide temperature range of 1203-1403 K and strain rate range of 0.01-10 s-1 on a Gleeble 1500 testing machine. Then the constitutive relationship was modeled by an optimally constructed and well-trained back-propagation artificial neural network (BP-ANN). The evaluation of the BP-ANN model revealed that it has admirable performance in characterizing and predicting the flow behaviors of 3Cr20Ni10W2 heat-resisting alloy. Meanwhile, a comparison between improved Arrhenius-type constitutive equation and BP-ANN model shows that the latter has higher accuracy. Consequently, the developed BP-ANN model was used to predict abundant stress-strain data beyond the limited experimental conditions and construct the three-dimensional continuous response relationship for temperature, strain rate, strain, and stress. Finally, the three-dimensional continuous response relationship was applied to the numerical simulation of isothermal compression tests. The results show that such constitutive relationship can significantly promote the accuracy improvement of numerical simulation for hot forming processes.

TORO II simulations of induction heating in ferromagnetic materials

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

Adkins, D.R.; Gartling, D.K.; Kelley, J.B.

TORO II is a finite element computer program that is used in the simulation of electric and magnetic fields. This code, which was developed at Sandia National Laboratories, has been coupled with a finite element thermal code, COYOTE II, to predict temperature profiles in inductively heated parts. The development of an effective technique to account for the nonlinear behavior of the magnetic permeability in ferromagnetic parts is one of the more difficult aspects of solving induction heating problems. In the TORO II code, nonlinear, spatially varying magnetic permeability is approximated by an effective permeability on an element-by-element basis that effectivelymore » provides the same energy deposition that is produced when the true permeability is used. This approximation has been found to give an accurate estimate of the volumetric heating distribution in the part, and predicted temperature distributions have been experimentally verified using a medium carbon steel and a 10kW industrial induction heating unit. Work on the model was funded through a Cooperative Research and Development Agreement (CRADA) between the Department of Energy and General Motors` Delphi Saginaw Steering Systems.« less

Probabilistic Thermal Analysis During Mars Reconnaissance Orbiter Aerobraking

NASA Technical Reports Server (NTRS)

Dec, John A.

2007-01-01

A method for performing a probabilistic thermal analysis during aerobraking has been developed. The analysis is performed on the Mars Reconnaissance Orbiter solar array during aerobraking. The methodology makes use of a response surface model derived from a more complex finite element thermal model of the solar array. The response surface is a quadratic equation which calculates the peak temperature for a given orbit drag pass at a specific location on the solar panel. Five different response surface equations are used, one of which predicts the overall maximum solar panel temperature, and the remaining four predict the temperatures of the solar panel thermal sensors. The variables used to define the response surface can be characterized as either environmental, material property, or modeling variables. Response surface variables are statistically varied in a Monte Carlo simulation. The Monte Carlo simulation produces mean temperatures and 3 sigma bounds as well as the probability of exceeding the designated flight allowable temperature for a given orbit. Response surface temperature predictions are compared with the Mars Reconnaissance Orbiter flight temperature data.

Investigation on laser forming of stainless steel sheets under coupling mechanism

NASA Astrophysics Data System (ADS)

Chakraborty, Shitanshu S.; Maji, Kuntal; Racherla, Vikranth; Nath, Ashish K.

2015-08-01

In laser forming of three dimensional surfaces simultaneous bending and thickening of the sheet being formed are often required. Laser forming by the coupling mechanism has the capability to generate both of them. However, literature is scarce on the study of laser forming under coupling mechanism. A part of this work investigates the effect of Fourier number and laser spot diameter on bending angle and thickness increment induced by laser scans promoting coupling mechanism. Peak surface temperature was maintained nearly constant. It was chosen so as to avoid surface melting and sensitization at the scan track on top surface. The required laser parameters were determined with the help of an analytical model for temperature estimation. The experimental results showed that while the bending angle reduced with the increase of Fourier number, the thickness increment increased. And, with the increase of laser spot diameter both bending angle and thickness increased. Finite element simulations were carried out using ABAQUS software on a three dimensional model for developing a better understanding of the deformation behaviour. Multimode intensity distribution of the laser beam and temperature dependant material properties were considered in the simulations. Finite element analysis and microstructure study showed that chances of sensitization are rare with the current laser parameter combinations. Based on temperature gradient and coupling mechanisms a different laser scanning strategy has been proposed for laser forming of deep pillow shaped surfaces retaining symmetry.

Finite element analysis of heat generation from different light-polymerization sources during cementation of all-ceramic crowns.

PubMed

Tunc, Elif Pak

2007-06-01

Exothermic composite resin chemical reactions and visible light generators can produce heat during a restorative polymerization process. These thermal changes in restored teeth may cause pain and irreversible pulpitis. The purpose of this study was to analyze the temperature distribution and heat flow patterns of a crowned mandibular second premolar tooth model using 3 different light-polymerization technologies and a finite element technique. A 2-dimensional finite element model was used to simulate a clinical condition. Heat flow and thermal stress distribution in a tooth during cementation of an all-ceramic crown using 4 commercially available light-polymerization units (LPUs), each with different wavelengths (Elipar TriLight, Elipar Freelight, Apollo 95 E, and ADT 1000 PAC), were investigated. The temperature values were measured at 3, 10, 12, and 40 seconds for each light-polymerizing unit (LPU) at 6 different finite element nodes. Two-dimensional temporal and spatial distribution of the thermal stress within the tooth, including the thermal coefficients and boundary conditions of the dental materials, were obtained and evaluated. The temperature at the nodal points did not exceed 42 degrees C, which is a threshold value for tissue vitality within the recommended operating periods at the dentin and pulp surface for all LPUs, except for Elipar TriLight. In the case of Elipar TriLlight, the temperatures at the dentin and pulp surfaces were 47 degrees C and 42 degrees C, respectively. When the light-polymerization units were used according to the manufacturers' operating procedures and without prolonged operating periods, with the exception of Elipar TriLight, the investigated LPUs did not produce significant heat. However, when the operating periods were prolonged, unacceptable temperature increases were observed, especially with the high-intensity LPUs.

Theoretical simulation of the dual-heat-flux method in deep body temperature measurements.

PubMed

Huang, Ming; Chen, Wenxi

2010-01-01

Deep body temperature reveals individual physiological states, and is important in patient monitoring and chronobiological studies. An innovative dual-heat-flux method has been shown experimentally to be competitive with the conventional zero-heat-flow method in its performance, in terms of measurement accuracy and step response to changes in the deep temperature. We have utilized a finite element method to model and simulate the dynamic process of a dual-heat-flux probe in deep body temperature measurements to validate the fundamental principles of the dual-heat-flux method theoretically, and to acquire a detailed quantitative description of the thermal profile of the dual-heat-flux probe. The simulation results show that the estimated deep body temperature is influenced by the ambient temperature (linearly, at a maximum rate of 0.03 °C/°C) and the blood perfusion rate. The corresponding depth of the estimated temperature in the skin and subcutaneous tissue layer is consistent when using the dual-heat-flux probe. Insights in improving the performance of the dual-heat-flux method were discussed for further studies of dual-heat-flux probes, taking into account structural and geometric considerations.

Fabrication and characterization of diamond-like carbon/Ni bimorph normally closed microcages

NASA Astrophysics Data System (ADS)

Luo, J. K.; He, J. H.; Fu, Y. Q.; Flewitt, A. J.; Spearing, S. M.; Fleck, N. A.; Milne, W. I.

2005-08-01

Normally closed microcages based on highly compressively stressed diamond-like carbon (DLC) and electroplated Ni bimorph structures have been simulated, fabricated and characterized. Finite-element and analytical models were used to simulate the device performance. It was found that the radius of curvature of the bimorph layer can be adjusted by varying the DLC film stress, the total layer thickness and the thickness ratio of the DLC to Ni layers. The angular deflection of the bimorph structures can also be adjusted by varying the finger length. The radius of curvature of the microcage was in the range of 18-50 µm, suitable for capturing and confining micro-objects with sizes of 20-100 µm. The operation of this type of device is very efficient due to the large difference in thermal expansion coefficients of the DLC and the Ni layers. Electrical tests have shown that these microcages can be opened by ~90° utilizing a power smaller than 20 mW. The operating temperatures of the devices under various pulsed currents were extracted through the change in electrical resistance of the devices. The results showed that an average temperature in the range of 400-450 °C is needed to open this type of microcage by ~90°, consistent with the results from analytical simulation and finite-element modelling.

Elevated temperature crack growth

NASA Technical Reports Server (NTRS)

Kim, K. S.; Yau, J. F.; Vanstone, R. H.; Laflen, J. H.

1984-01-01

Critical gas turbine engine hot section components such as blades, vanes, and combustor liners tend to develop minute cracks during early stages of operations. The ability of currently available path-independent (P-I) integrals to correlate fatigue crack propagation under conditions that simulate the turbojet engine combustor liner environment was determined. To date, an appropriate specimen design and a crack displacement measurement method were determined. Alloy 718 was selected as the analog material based on its ability to simulate high temperature behavior at lower temperatures in order to facilitate experimental measurements. Available P-I integrals were reviewed and the best approaches are being programmed into a finite element post processor for eventual comparison with experimental data. The experimental data will include cyclic crack growth tests under thermomechanical conditions, and, additionally, thermal gradients.

Correlational and thermodynamic properties of finite-temperature electron liquids in the hypernetted-chain approximation.

PubMed

Tanaka, Shigenori

2016-12-07

Correlational and thermodynamic properties of homogeneous electron liquids at finite temperatures are theoretically analyzed in terms of dielectric response formalism with the hypernetted-chain (HNC) approximation and its modified version. The static structure factor and the local-field correction to describe the strong Coulomb-coupling effects beyond the random-phase approximation are self-consistently calculated through solution to integral equations in the paramagnetic (spin unpolarized) and ferromagnetic (spin polarized) states. In the ground state with the normalized temperature θ=0, the present HNC scheme well reproduces the exchange-correlation energies obtained by quantum Monte Carlo (QMC) simulations over the whole fluid phase (the coupling constant r s ≤100), i.e., within 1% and 2% deviations from putative best QMC values in the paramagnetic and ferromagnetic states, respectively. As compared with earlier studies based on the Singwi-Tosi-Land-Sjölander and modified convolution approximations, some improvements on the correlation energies and the correlation functions including the compressibility sum rule are found in the intermediate to strong coupling regimes. When applied to the electron fluids at intermediate Fermi degeneracies (θ≈1), the static structure factors calculated in the HNC scheme show good agreements with the results obtained by the path integral Monte Carlo (PIMC) simulation, while a small negative region in the radial distribution function is observed near the origin, which may be associated with a slight overestimation for the exchange-correlation hole in the HNC approximation. The interaction energies are calculated for various combinations of density and temperature parameters ranging from strong to weak degeneracy and from weak to strong coupling, and the HNC values are then parametrized as functions of r s and θ. The HNC exchange-correlation free energies obtained through the coupling-constant integration show reasonable agreements with earlier results including the PIMC-based fitting over the whole fluid region at finite degeneracies in the paramagnetic state. In contrast, a systematic difference between the HNC and PIMC results is observed in the ferromagnetic state, which suggests a necessity of further studies on the exchange-correlation free energies from both aspects of analytical theory and simulation.

Characterization and modeling of a highly-oriented thin film for composite forming

NASA Astrophysics Data System (ADS)

White, K. D.; Sherwood, J. A.

2018-05-01

Ultra High Molecular Weight Polyethylene (UHMWPE) materials exhibit high impact strength, excellent abrasion resistance and high chemical resistance, making them attractive for a number of impact applications for automotive, marine and medical industries. One format of this class of materials that is being considered for the thermoforming process is a highly-oriented extruded thin film. Parts are made using a two-step manufacturing process that involves first producing a set of preforms and then consolidating these preforms into a final shaped part. To assist in the design of the processing parameters, simulations of the preforming and compression molding steps can be completed using the finite element method. Such simulations require material input data as developed through a comprehensive characterization test program, e.g. shear, tensile and bending, over the range of potential processing temperatures. The current research investigates the challenges associated with the characterization of thin, highly-oriented UHMWPE films. Variations in grip type, sample size and testing rates are explored to achieve convergence of the characterization data. Material characterization results are then used in finite element simulations of the tension test to explore element formulations that work well with the mechanical behavior. Comparisons of the results from the material characterization tests to results of simulations of the same test are performed to validate the finite element method parameters and the credibility of the user-defined material model.

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

PubMed Central

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

2014-01-01

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

Direct numerical simulation of transitional and turbulent flow over a heated flat plate using finite-difference schemes

NASA Technical Reports Server (NTRS)

Madavan, Nateri K.

1995-01-01

This report deals with the direct numerical simulation of transitional and turbulent flow at low Mach numbers using high-order-accurate finite-difference techniques. A computation of transition to turbulence of the spatially-evolving boundary layer on a heated flat plate in the presence of relatively high freestream turbulence was performed. The geometry and flow conditions were chosen to match earlier experiments. The development of the momentum and thermal boundary layers was documented. Velocity and temperature profiles, as well as distributions of skin friction, surface heat transfer rate, Reynolds shear stress, and turbulent heat flux, were shown to compare well with experiment. The results indicate that the essential features of the transition process have been captured. The numerical method used here can be applied to complex geometries in a straightforward manner.

Finite Element Simulation and Experimental Verification of Internal Stress of Quenched AISI 4140 Cylinders

NASA Astrophysics Data System (ADS)

Liu, Yu; Qin, Shengwei; Hao, Qingguo; Chen, Nailu; Zuo, Xunwei; Rong, Yonghua

2017-03-01

The study of internal stress in quenched AISI 4140 medium carbon steel is of importance in engineering. In this work, the finite element simulation (FES) was employed to predict the distribution of internal stress in quenched AISI 4140 cylinders with two sizes of diameter based on exponent-modified (Ex-Modified) normalized function. The results indicate that the FES based on Ex-Modified normalized function proposed is better consistent with X-ray diffraction measurements of the stress distribution than FES based on normalized function proposed by Abrassart, Desalos and Leblond, respectively, which is attributed that Ex-Modified normalized function better describes transformation plasticity. Effect of temperature distribution on the phase formation, the origin of residual stress distribution and effect of transformation plasticity function on the residual stress distribution were further discussed.

Modelling of peak temperature during friction stir processing of magnesium alloy AZ91

NASA Astrophysics Data System (ADS)

Vaira Vignesh, R.; Padmanaban, R.

2018-02-01

Friction stir processing (FSP) is a solid state processing technique with potential to modify the properties of the material through microstructural modification. The study of heat transfer in FSP aids in the identification of defects like flash, inadequate heat input, poor material flow and mixing etc. In this paper, transient temperature distribution during FSP of magnesium alloy AZ91 was simulated using finite element modelling. The numerical model results were validated using the experimental results from the published literature. The model was used to predict the peak temperature obtained during FSP for various process parameter combinations. The simulated peak temperature results were used to develop a statistical model. The effect of process parameters namely tool rotation speed, tool traverse speed and shoulder diameter of the tool on the peak temperature was investigated using the developed statistical model. It was found that peak temperature was directly proportional to tool rotation speed and shoulder diameter and inversely proportional to tool traverse speed.

Crossover in growth laws for phase-separating binary fluids: molecular dynamics simulations.

PubMed

Ahmad, Shaista; Das, Subir K; Puri, Sanjay

2012-03-01

Pattern and dynamics during phase separation in a symmetrical binary (A+B) Lennard-Jones fluid are studied via molecular dynamics simulations after quenching homogeneously mixed critical (50:50) systems to temperatures below the critical one. The morphology of the domains, rich in A or B particles, is observed to be bicontinuous. The early-time growth of the average domain size is found to be consistent with the Lifshitz-Slyozov law for diffusive domain coarsening. After a characteristic time, dependent on the temperature, we find a clear crossover to an extended viscous hydrodynamic regime where the domains grow linearly with time. Pattern formation in the present system is compared with that in solid binary mixtures, as a function of temperature. Important results for the finite-size and temperature effects on the small-wave-vector behavior of the scattering function are also presented.

Finite Element Simulation of Residual Stress Development in Thermally Sprayed Coatings

NASA Astrophysics Data System (ADS)

Elhoriny, Mohamed; Wenzelburger, Martin; Killinger, Andreas; Gadow, Rainer

2017-04-01

The coating buildup process of Al2O3/TiO2 ceramic powder deposited on stainless-steel substrate by atmospheric plasma spraying has been simulated by creating thermomechanical finite element models that utilize element death and birth techniques in ANSYS commercial software and self-developed codes. The simulation process starts with side-by-side deposition of coarse subparts of the ceramic layer until the entire coating is created. Simultaneously, the heat flow into the material, thermal deformation, and initial quenching stress are computed. The aim is to be able to predict—for the considered spray powder and substrate material—the development of residual stresses and to assess the risk of coating failure. The model allows the prediction of the heat flow, temperature profile, and residual stress development over time and position in the coating and substrate. The proposed models were successfully run and the results compared with actual residual stresses measured by the hole drilling method.

Experimental and Numerical Study on the Deformation Mechanism in AZ31B Mg Alloy Sheets Under Pulsed Electric-Assisted Tensile and Compressive Tests

NASA Astrophysics Data System (ADS)

Lee, Jinwoo; Kim, Se-Jong; Lee, Myoung-Gyu; Song, Jung Han; Choi, Seogou; Han, Heung Nam; Kim, Daeyong

2016-06-01

The uniaxial tensile and compressive stress-strain responses of AZ31B magnesium alloy sheet under pulsed electric current are reported. Tension and compression tests with pulsed electric current showed that flow stresses dropped instantaneously when the electric pulses were applied. Thermo-mechanical-electrical finite element analyses were also performed to investigate the effects of Joule heating and electro-plasticity on the flow responses of AZ31B sheets under electric-pulsed tension and compression tests. The proposed finite element simulations could reproduce the measured uniaxial tensile and compressive stress-strain curves under pulsed electric currents, when the temperature-dependent flow stress hardening model and thermal properties of AZ31B sheet were properly described in the simulations. In particular, the simulation results that fit best with experimental results showed that almost 100 pct of the electric current was subject to transform into Joule heating during electrically assisted tensile and compressive tests.

Random walk numerical simulation for hopping transport at finite carrier concentrations: diffusion coefficient and transport energy concept.

PubMed

Gonzalez-Vazquez, J P; Anta, Juan A; Bisquert, Juan

2009-11-28

The random walk numerical simulation (RWNS) method is used to compute diffusion coefficients for hopping transport in a fully disordered medium at finite carrier concentrations. We use Miller-Abrahams jumping rates and an exponential distribution of energies to compute the hopping times in the random walk simulation. The computed diffusion coefficient shows an exponential dependence with respect to Fermi-level and Arrhenius behavior with respect to temperature. This result indicates that there is a well-defined transport level implicit to the system dynamics. To establish the origin of this transport level we construct histograms to monitor the energies of the most visited sites. In addition, we construct "corrected" histograms where backward moves are removed. Since these moves do not contribute to transport, these histograms provide a better estimation of the effective transport level energy. The analysis of this concept in connection with the Fermi-level dependence of the diffusion coefficient and the regime of interest for the functioning of dye-sensitised solar cells is thoroughly discussed.

Thermal effects on current-related skyrmion formation in a nanobelt

NASA Astrophysics Data System (ADS)

Zhao, Xuebing; Wang, Shasha; Wang, Chao; Che, Renchao

2018-05-01

We report an in-situ Lorentz transmission electron microscopy (LTEM) investigation to study the thermal effects on the generation of magnetic skyrmions within a nanobelt. Under an action of a moderate current pulse, magnetic skyrmions appear even in the temperature range far below the critical temperature and even at zero field. Finite element simulation reveals that the Joule heating plays an essential role in this behavior. Our results also uncover the importance of the cooling conditions in the current-related in situ LTEM research.

Experimental investigations and finite element simulation of cutting heat in vibrational and conventional drilling of cortical bone.

PubMed

Wang, Yu; Cao, Meng; Zhao, Xiangrui; Zhu, Gang; McClean, Colin; Zhao, Yuanyuan; Fan, Yubo

2014-11-01

Heat generated during bone drilling could cause irreversible thermal damage, which can lead to bone necrosis or even osteomyelitis. In this study, vibrational drilling was applied to fresh bovine bones to investigate the cutting heat in comparison with conventional drilling through experimental investigation and finite element analysis (FEA). The influence of vibrational frequency and amplitude on cutting heat generation and conduction were studied. The experimental results showed that, compared with the conventional drilling, vibrational drilling could significantly reduce the cutting temperature in drilling of cortical bone (P<0.05): the cutting temperature tended to decrease with increasing vibrational frequency and amplitude. The FEA results also showed that the vibrational amplitude holds a significant effect on the cutting heat conduction. Copyright © 2014 IPEM. Published by Elsevier Ltd. All rights reserved.

Scaling laws and bulk-boundary decoupling in heat flow.

PubMed

del Pozo, Jesús J; Garrido, Pedro L; Hurtado, Pablo I

2015-03-01

When driven out of equilibrium by a temperature gradient, fluids respond by developing a nontrivial, inhomogeneous structure according to the governing macroscopic laws. Here we show that such structure obeys strikingly simple scaling laws arbitrarily far from equilibrium, provided that both macroscopic local equilibrium and Fourier's law hold. Extensive simulations of hard disk fluids confirm the scaling laws even under strong temperature gradients, implying that Fourier's law remains valid in this highly nonlinear regime, with putative corrections absorbed into a nonlinear conductivity functional. In addition, our results show that the scaling laws are robust in the presence of strong finite-size effects, hinting at a subtle bulk-boundary decoupling mechanism which enforces the macroscopic laws on the bulk of the finite-sized fluid. This allows one to measure the marginal anomaly of the heat conductivity predicted for hard disks.

3D FE simulation of semi-finishing machining of Ti6Al4V additively manufactured by direct metal laser sintering

NASA Astrophysics Data System (ADS)

Imbrogno, Stano; Rinaldi, Sergio; Raso, Antonio; Bordin, Alberto; Bruschi, Stefania; Umbrello, Domenico

2018-05-01

The Additive Manufacturing techniques are gaining more and more interest in various industrial fields due to the possibility of drastically reduce the material waste during the production processes, revolutionizing the standard scheme and strategies of the manufacturing processes. However, the metal parts shape produced, frequently do not satisfy the tolerances as well as the surface quality requirements. During the design phase, the finite element simulation results a fundamental tool to help the engineers in the correct decision of the most suitable process parameters, especially in manufacturing processes, in order to produce products of high quality. The aim of this work is to develop a 3D finite element model of semi-finishing turning operation of Ti6Al4V, produced via Direct Metal Laser Sintering (DMLS). A customized user sub-routine was built-up in order to model the mechanical behavior of the material under machining operations to predict the main fundamental variables as cutting forces and temperature. Moreover, the machining induced alterations are also studied by the finite element model developed.

3DHYDROGEOCHEM: A 3-DIMENSIONAL MODEL OF DENSITY-DEPENDENT SUBSURFACE FLOW AND THERMAL MULTISPECIES-MULTICOMPONENT HYDROGEOCHEMICAL TRANSPORT (EPA/600/SR-98/159)

EPA Science Inventory

This report presents a three-dimensional finite-element numerical model designed to simulate chemical transport in subsurface systems with temperature effect taken into account. The three-dimensional model is developed to provide (1) a tool of application, with which one is able ...

Energy Losses Estimation During Pulsed-Laser Seam Welding

NASA Astrophysics Data System (ADS)

Sebestova, Hana; Havelkova, Martina; Chmelickova, Hana

2014-06-01

The finite-element tool SYSWELD (ESI Group, Paris, France) was adapted to simulate pulsed-laser seam welding. Besides temperature field distribution, one of the possible outputs of the welding simulation is the amount of absorbed power necessary to melt the required material volume including energy losses. Comparing absorbed or melting energy with applied laser energy, welding efficiencies can be calculated. This article presents achieved results of welding efficiency estimation based on the assimilation both experimental and simulation output data of the pulsed Nd:YAG laser bead on plate welding of 0.6-mm-thick AISI 304 stainless steel sheets using different beam powers.

A method for the direct numerical simulation of hypersonic boundary-layer instability with finite-rate chemistry

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

Marxen, Olaf, E-mail: olaf.marxen@vki.ac.be; Aeronautics and Aerospace Department, von Karman Institute for Fluid Dynamics, Chaussée de Waterloo, 72, 1640 Rhode-St-Genèse; Magin, Thierry E.

2013-12-15

A new numerical method is presented here that allows to consider chemically reacting gases during the direct numerical simulation of a hypersonic fluid flow. The method comprises the direct coupling of a solver for the fluid mechanical model and a library providing the physio-chemical model. The numerical method for the fluid mechanical model integrates the compressible Navier–Stokes equations using an explicit time advancement scheme and high-order finite differences. This Navier–Stokes code can be applied to the investigation of laminar-turbulent transition and boundary-layer instability. The numerical method for the physio-chemical model provides thermodynamic and transport properties for different gases as wellmore » as chemical production rates, while here we exclusively consider a five species air mixture. The new method is verified for a number of test cases at Mach 10, including the one-dimensional high-temperature flow downstream of a normal shock, a hypersonic chemical reacting boundary layer in local thermodynamic equilibrium and a hypersonic reacting boundary layer with finite-rate chemistry. We are able to confirm that the diffusion flux plays an important role for a high-temperature boundary layer in local thermodynamic equilibrium. Moreover, we demonstrate that the flow for a case previously considered as a benchmark for the investigation of non-equilibrium chemistry can be regarded as frozen. Finally, the new method is applied to investigate the effect of finite-rate chemistry on boundary layer instability by considering the downstream evolution of a small-amplitude wave and comparing results with those obtained for a frozen gas as well as a gas in local thermodynamic equilibrium.« less

Finite size induces crossover temperature in growing spin chains

NASA Astrophysics Data System (ADS)

Sienkiewicz, Julian; Suchecki, Krzysztof; Hołyst, Janusz A.

2014-01-01

We introduce a growing one-dimensional quenched spin model that bases on asymmetrical one-side Ising interactions in the presence of external field. Numerical simulations and analytical calculations based on Markov chain theory show that when the external field is smaller than the exchange coupling constant J there is a nonmonotonous dependence of the mean magnetization on the temperature in a finite system. The crossover temperature Tc corresponding to the maximal magnetization decays with system size, approximately as the inverse of the Lambert W function. The observed phenomenon can be understood as an interplay between the thermal fluctuations and the presence of the first cluster determined by initial conditions. The effect exists also when spins are not quenched but fully thermalized after the attachment to the chain. By performing tests on real data we conceive the model is in part suitable for a qualitative description of online emotional discussions arranged in a chronological order, where a spin in every node conveys emotional valence of a subsequent post.

Finite size induces crossover temperature in growing spin chains.

PubMed

Sienkiewicz, Julian; Suchecki, Krzysztof; Hołyst, Janusz A

2014-01-01

We introduce a growing one-dimensional quenched spin model that bases on asymmetrical one-side Ising interactions in the presence of external field. Numerical simulations and analytical calculations based on Markov chain theory show that when the external field is smaller than the exchange coupling constant J there is a nonmonotonous dependence of the mean magnetization on the temperature in a finite system. The crossover temperature Tc corresponding to the maximal magnetization decays with system size, approximately as the inverse of the Lambert W function. The observed phenomenon can be understood as an interplay between the thermal fluctuations and the presence of the first cluster determined by initial conditions. The effect exists also when spins are not quenched but fully thermalized after the attachment to the chain. By performing tests on real data we conceive the model is in part suitable for a qualitative description of online emotional discussions arranged in a chronological order, where a spin in every node conveys emotional valence of a subsequent post.

Finite-Element Analysis of Current-Induced Thermal Stress in a Conducting Sphere

NASA Astrophysics Data System (ADS)

Liu, Ming; Yang, Fuqian

2012-02-01

Understanding the electrothermal-mechanical behavior of electronic interconnects is of practical importance in improving the structural reliability of electronic devices. In this work, we use the finite-element method to analyze the Joule-heating-induced thermomechanical deformation of a metallic sphere that is sandwiched between two rigid plates. The deformation behavior of the sphere is elastic-perfectly plastic with Young's modulus and yield stress decreasing with temperature. The mechanical stresses created by Joule heating are found to depend on the thermal and mechanical contact conditions between the sphere and the plates. The temperature rise in the sphere for the diathermal condition between the sphere and the plates deviates from the square relation between Joule heat and electric current, due to the temperature dependence of the electrothermal properties of the material. For large electric currents, the simulations reveal the decrease of von Mises stress near the contact interfaces, which suggests that current-induced structural damage will likely occur near the contact interfaces.

A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films

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

Jamshidian, M., E-mail: jamshidian@cc.iut.ac.ir; Institute of Structural Mechanics, Bauhaus-University Weimar, Marienstrasse 15, 99423 Weimar; Thamburaja, P., E-mail: prakash.thamburaja@gmail.com

A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substratemore » and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms. - Graphical abstract: - Highlights: • Developing a theory for stressed grain growth in polycrystalline thin films. • Implementation into a multiscale coupled finite-element and phase-field framework. • Quantitative reproduction of the experimental grain growth data by simulations. • Revealing the cause of texture transition to be due to the stagnation mechanisms.« less

Heat Transfer during Blanching and Hydrocooling of Broccoli Florets.

PubMed

Iribe-Salazar, Rosalina; Caro-Corrales, José; Hernández-Calderón, Óscar; Zazueta-Niebla, Jorge; Gutiérrez-Dorado, Roberto; Carrazco-Escalante, Marco; Vázquez-López, Yessica

2015-12-01

The objective of this work was to simulate heat transfer during blanching (90 °C) and hydrocooling (5 °C) of broccoli florets (Brassica oleracea L. Italica) and to evaluate the impact of these processes on the physicochemical and nutrimental quality properties. Thermophysical properties (thermal conductivity [line heat source], specific heat capacity [differential scanning calorimetry], and bulk density [volume displacement]) of stem and inflorescence were measured as a function of temperature (5, 10, 20, 40, 60, and 80 °C). The activation energy and the frequency factor (Arrhenius model) of these thermophysical properties were calculated. A 3-dimensional finite element model was developed to predict the temperature history at different points inside the product. Comparison of the theoretical and experimental temperature histories was carried out. Quality parameters (firmness, total color difference, and vitamin C content) and peroxidase activity were measured. The satisfactory validation of the finite element model allows the prediction of temperature histories and profiles under different process conditions, which could lead to an eventual optimization aimed to minimize the nutritional and sensorial losses in broccoli florets. © 2015 Institute of Food Technologists®

Coupled field-structural analysis of HGTR fuel brick using ABAQUS

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

Mohanty, S.; Jain, R.; Majumdar, S.

2012-07-01

High-temperature, gas-cooled reactors (HTGRs) are usually helium-gas cooled, with a graphite core that can operate at reactor outlet temperatures much higher than can conventional light water reactors. In HTGRs, graphite components moderate and reflect neutrons. During reactor operation, high temperature and high irradiation cause damage to the graphite crystal and grains and create other defects. This cumulative structural damage during the reactor lifetime leads to changes in graphite properties, which can alter the ability to support the designed loads. The aim of the present research is to develop a finite-element code using commercially available ABAQUS software for the structural integritymore » analysis of graphite core components under extreme temperature and irradiation conditions. In addition, the Reactor Geometry Generator tool-kit, developed at Argonne National Laboratory, is used to generate finite-element mesh for complex geometries such as fuel bricks with multiple pin holes and coolant flow channels. This paper presents the proposed concept and discusses results of stress analysis simulations of a fuel block with H-451 grade material properties. (authors)« less

Modeling of NiTiHf using finite difference method

NASA Astrophysics Data System (ADS)

Farjam, Nazanin; Mehrabi, Reza; Karaca, Haluk; Mirzaeifar, Reza; Elahinia, Mohammad

2018-03-01

NiTiHf is a high temperature and high strength shape memory alloy with transformation temperatures above 100oC. A constitutive model based on Gibbs free energy is developed to predict the behavior of this material. Two different irrecoverable strains including transformation induced plastic strain (TRIP) and viscoplastic strain (VP) are considered when using high temperature shape memory alloys (HTSMAs). The first one happens during transformation at high levels of stress and the second one is related to the creep which is rate-dependent. The developed model is implemented for NiTiHf under uniaxial loading. Finite difference method is utilized to solve the proposed equations. The material parameters in the equations are calibrated from experimental data. Simulation results are captured to investigate the superelastic behavior of NiTiHf. The extracted results are compared with experimental tests of isobaric heating and cooling at different levels of stress and also superelastic tests at different levels of temperature. More results are generated to investigate the capability of the proposed model in the prediction of the irrecoverable strain after full transformation in HTSMAs.

On Temperature Rise Within the Shear Bands in Bulk Metallic Glasses

NASA Astrophysics Data System (ADS)

Bazlov, A. I.; Churyumov, A. Yu.; Buchet, M.; Louzguine-Luzgin, D. V.

2018-05-01

Room temperature deformation process in a bulk metallic glassy sample was studied by using a hydraulic thermomechanical simulator. The temperature rise during each separate shear band propagation event was measured with a high data acquisition frequency by a thermocouple welded to the sample. Calculation showed that when propagation of the well developed shear bands takes place along the entire sample the temperature inside the shear band should be close to the glass-transition temperature. It was also possible to resolve the temporal stress distribution and a double-stage character of stress drops was also observed. The obtained results are compared with the literature data obtained by infrared camera measurements and the results of finite elements modeling.

On Temperature Rise Within the Shear Bands in Bulk Metallic Glasses

NASA Astrophysics Data System (ADS)

Bazlov, A. I.; Churyumov, A. Yu.; Buchet, M.; Louzguine-Luzgin, D. V.

2018-03-01

Room temperature deformation process in a bulk metallic glassy sample was studied by using a hydraulic thermomechanical simulator. The temperature rise during each separate shear band propagation event was measured with a high data acquisition frequency by a thermocouple welded to the sample. Calculation showed that when propagation of the well developed shear bands takes place along the entire sample the temperature inside the shear band should be close to the glass-transition temperature. It was also possible to resolve the temporal stress distribution and a double-stage character of stress drops was also observed. The obtained results are compared with the literature data obtained by infrared camera measurements and the results of finite elements modeling.

Study of the temperature configuration of parallel tempering for the traveling salesman problem

NASA Astrophysics Data System (ADS)

Hasegawa, Manabu

The effective temperature configuration of parallel tempering (PT) in finite-time optimization is studied for the solution of the traveling salesman problem. An experimental analysis is conducted to decide the relative importance of the two characteristic temperatures, the specific-heat-peak temperature referred to in the general guidelines and the effective intermediate temperature identified in the recent study on simulated annealing (SA). The results show that the operation near the former has no notable significance contrary to the conventional belief but that the operation near the latter plays a crucial role in fulfilling the optimization function of PT. The method shares the same origin of effectiveness with the SA and SA-related algorithms.

Thermal analysis of underground power cable system

NASA Astrophysics Data System (ADS)

Rerak, Monika; Ocłoń, Paweł

2017-10-01

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

Quantum size effects in the size-temperature phase diagram of gallium: structural characterization of shape-shifting clusters.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2015-02-09

Finite temperature analysis of cluster structures is used to identify signatures of the low-temperature polymorphs of gallium, based on the results of first-principle Born-Oppenheimer molecular dynamics simulations. Pre-melting structural transitions proceed from either the β- and/or the δ-phase to the γ- or δ-phase, with a size- dependent phase progression. We relate the stability of each isomer to the electronic structures of the different phases, giving new insight into the origin of polymorphism in this complicated element. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Calculation of Derivative Thermodynamic Hydration and Aqueous Partial Molar Properties of Ions Based on Atomistic Simulations.

PubMed

Dahlgren, Björn; Reif, Maria M; Hünenberger, Philippe H; Hansen, Niels

2012-10-09

The raw ionic solvation free energies calculated on the basis of atomistic (explicit-solvent) simulations are extremely sensitive to the boundary conditions and treatment of electrostatic interactions used during these simulations. However, as shown recently [Kastenholz, M. A.; Hünenberger, P. H. J. Chem. Phys.2006, 124, 224501 and Reif, M. M.; Hünenberger, P. H. J. Chem. Phys.2011, 134, 144104], the application of an appropriate correction scheme allows for a conversion of the methodology-dependent raw data into methodology-independent results. In this work, methodology-independent derivative thermodynamic hydration and aqueous partial molar properties are calculated for the Na(+) and Cl(-) ions at P° = 1 bar and T(-) = 298.15 K, based on the SPC water model and on ion-solvent Lennard-Jones interaction coefficients previously reoptimized against experimental hydration free energies. The hydration parameters considered are the hydration free energy and enthalpy. The aqueous partial molar parameters considered are the partial molar entropy, volume, heat capacity, volume-compressibility, and volume-expansivity. Two alternative calculation methods are employed to access these properties. Method I relies on the difference in average volume and energy between two aqueous systems involving the same number of water molecules, either in the absence or in the presence of the ion, along with variations of these differences corresponding to finite pressure or/and temperature changes. Method II relies on the calculation of the hydration free energy of the ion, along with variations of this free energy corresponding to finite pressure or/and temperature changes. Both methods are used considering two distinct variants in the application of the correction scheme. In variant A, the raw values from the simulations are corrected after the application of finite difference in pressure or/and temperature, based on correction terms specifically designed for derivative parameters at P° and T(-). In variant B, these raw values are corrected prior to differentiation, based on corresponding correction terms appropriate for the different simulation pressures P and temperatures T. The results corresponding to the different calculation schemes show that, except for the hydration free energy itself, accurate methodological independence and quantitative agreement with even the most reliable experimental parameters (ion-pair properties) are not yet reached. Nevertheless, approximate internal consistency and qualitative agreement with experimental results can be achieved, but only when an appropriate correction scheme is applied, along with a careful consideration of standard-state issues. In this sense, the main merit of the present study is to set a clear framework for these types of calculations and to point toward directions for future improvements, with the ultimate goal of reaching a consistent and quantitative description of single-ion hydration thermodynamics in molecular dynamics simulations.

Three-phase compositional modeling of CO2 injection by higher-order finite element methods with CPA equation of state for aqueous phase

NASA Astrophysics Data System (ADS)

Moortgat, Joachim; Li, Zhidong; Firoozabadi, Abbas

2012-12-01

Most simulators for subsurface flow of water, gas, and oil phases use empirical correlations, such as Henry's law, for the CO2 composition in the aqueous phase, and equations of state (EOS) that do not represent the polar interactions between CO2and water. Widely used simulators are also based on lowest-order finite difference methods and suffer from numerical dispersion and grid sensitivity. They may not capture the viscous and gravitational fingering that can negatively affect hydrocarbon (HC) recovery, or aid carbon sequestration in aquifers. We present a three-phase compositional model based on higher-order finite element methods and incorporate rigorous and efficient three-phase-split computations for either three HC phases or water-oil-gas systems. For HC phases, we use the Peng-Robinson EOS. We allow solubility of CO2in water and adopt a new cubic-plus-association (CPA) EOS, which accounts for cross association between H2O and CO2 molecules, and association between H2O molecules. The CPA-EOS is highly accurate over a broad range of pressures and temperatures. The main novelty of this work is the formulation of a reservoir simulator with new EOS-based unique three-phase-split computations, which satisfy both the equalities of fugacities in all three phases and the global minimum of Gibbs free energy. We provide five examples that demonstrate twice the convergence rate of our method compared with a finite difference approach, and compare with experimental data and other simulators. The examples consider gravitational fingering during CO2sequestration in aquifers, viscous fingering in water-alternating-gas injection, and full compositional modeling of three HC phases.

A theoretical and simulation study of the contact discontinuities based on a Vlasov simulation code

NASA Astrophysics Data System (ADS)

Tsai, T. C.; Lyu, L. H.; Chao, J. K.; Chen, M. Q.; Tsai, W. H.

2009-12-01

Contact discontinuity (CD) is the simplest solution that can be obtained from the magnetohydrodynamics (MHD) Rankine-Hugoniot jump conditions. Due to the limitations of the previous kinetic simulation models, the stability of the CD has become a controversial issue in the past 10 years. The stability of the CD is reexamined analytically and numerically. Our theoretical analysis shows that the electron temperature profile and the ion temperature profile must be out of phase across the CD if the CD structure is to be stable in the electron time scale and with zero electron heat flux on either side of the CD. Both a newly developed fourth-order implicit electrostatic Vlasov simulation code and an electromagnetic finite-size particle code are used to examine the stability and the electrostatic nature of the CD structure. Our theoretical prediction is verified by both simulations. Our results of Vlasov simulation also indicate that a simulation with initial electron temperature profile and ion temperature profile varying in phase across the CD will undergo very transient changes in the electron time scale but will relax into a quasi-steady CD structure within a few ion plasma oscillation periods if a real ion-electron mass ratio is used in the simulation and if the boundary conditions allow nonzero heat flux to be presented at the boundaries of the simulation box. The simulation results of this study indicate that the Vlasov simulation is a powerful tool to study nonlinear phenomena with nonperiodic boundary conditions and with nonzero heat flux at the boundaries of the simulation box.

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.

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

Huang, Chen, E-mail: chuang3@fsu.edu

A key element in the density functional embedding theory (DFET) is the embedding potential. We discuss two major issues related to the embedding potential: (1) its non-uniqueness and (2) the numerical difficulty for solving for it, especially for the spin-polarized systems. To resolve the first issue, we extend DFET to finite temperature: all quantities, such as the subsystem densities and the total system’s density, are calculated at a finite temperature. This is a physical extension since materials work at finite temperatures. We show that the embedding potential is strictly unique at T > 0. To resolve the second issue, wemore » introduce an efficient iterative embedding potential solver. We discuss how to relax the magnetic moments in subsystems and how to equilibrate the chemical potentials across subsystems. The solver is robust and efficient for several non-trivial examples, in all of which good quality spin-polarized embedding potentials were obtained. We also demonstrate the solver on an extended periodic system: iron body-centered cubic (110) surface, which is related to the modeling of the heterogeneous catalysis involving iron, such as the Fischer-Tropsch and the Haber processes. This work would make it efficient and accurate to perform embedding simulations of some challenging material problems, such as the heterogeneous catalysis and the defects of complicated spin configurations in electronic materials.« less

Simulation of laser interaction with ablative plasma and hydrodynamic behavior of laser supported plasma

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

Tong Huifeng; Yuan Hong; Tang Zhiping

When an intense laser beam irradiates on a solid target, ambient air ionizes and becomes plasma, while part of the target rises in temperature, melts, vaporizes, ionizes, and yet becomes plasma. A general Godunov finite difference scheme WENO (Weighted Essentially Non-Oscillatory Scheme) with fifth-order accuracy is used to simulate 2-dimensional axis symmetrical laser-supported plasma flow field in the process of laser ablation. The model of the calculation of ionization degree of plasma and the interaction between laser beam and plasma are considered in the simulation. The numerical simulations obtain the profiles of temperature, density, and velocity at different times whichmore » show the evolvement of the ablative plasma. The simulated results show that the laser energy is strongly absorbed by plasma on target surface and that the velocity of laser supported detonation (LSD) wave is half of the ideal LSD value derived from Chapman-Jouguet detonation theory.« less

Addition of simultaneous heat and solute transport and variable fluid viscosity to SEAWAT

USGS Publications Warehouse

Thorne, D.; Langevin, C.D.; Sukop, M.C.

2006-01-01

SEAWAT is a finite-difference computer code designed to simulate coupled variable-density ground water flow and solute transport. This paper describes a new version of SEAWAT that adds the ability to simultaneously model energy and solute transport. This is necessary for simulating the transport of heat and salinity in coastal aquifers for example. This work extends the equation of state for fluid density to vary as a function of temperature and/or solute concentration. The program has also been modified to represent the effects of variable fluid viscosity as a function of temperature and/or concentration. The viscosity mechanism is verified against an analytical solution, and a test of temperature-dependent viscosity is provided. Finally, the classic Henry-Hilleke problem is solved with the new code. ?? 2006 Elsevier Ltd. All rights reserved.

Large scale Direct Numerical Simulation of premixed turbulent jet flames at high Reynolds number

NASA Astrophysics Data System (ADS)

Attili, Antonio; Luca, Stefano; Lo Schiavo, Ermanno; Bisetti, Fabrizio; Creta, Francesco

2016-11-01

A set of direct numerical simulations of turbulent premixed jet flames at different Reynolds and Karlovitz numbers is presented. The simulations feature finite rate chemistry with 16 species and 73 reactions and up to 22 Billion grid points. The jet consists of a methane/air mixture with equivalence ratio ϕ = 0 . 7 and temperature varying between 500 and 800 K. The temperature and species concentrations in the coflow correspond to the equilibrium state of the burnt mixture. All the simulations are performed at 4 atm. The flame length, normalized by the jet width, decreases significantly as the Reynolds number increases. This is consistent with an increase of the turbulent flame speed due to the increased integral scale of turbulence. This behavior is typical of flames in the thin-reaction zone regime, which are affected by turbulent transport in the preheat layer. Fractal dimension and topology of the flame surface, statistics of temperature gradients, and flame structure are investigated and the dependence of these quantities on the Reynolds number is assessed.

Quench simulation results for a 12-T twin-aperture dipole magnet

NASA Astrophysics Data System (ADS)

Cheng, Da; Salmi, Tiina; Xu, Qingjin; Peng, Quanling; Wang, Chengtao; Wang, Yingzhe; Kong, Ershuai; Zhang, Kai

2018-06-01

A 12-T twin-aperture subscale dipole magnet is being developed for SPPC pre-study at the Institute of High Energy Physics (IHEP). The magnet is comprised of 6 double-pancake coils which include 2 Nb3Sn coils and 4 NbTi coils. As the stored energy of the magnet is 0.452 MJ and the operation margin is only about 20% at 4.2 K, a quick and effective quench protection system is necessary during the test of this high field magnet. For the design of the quench protection system, attention was not only paid to the hotspot temperature and terminal voltage, but also the temperature gradient during the quench process due to the poor mechanical characteristics of the Nb3Sn cables. With the adiabatic analysis, numerical simulation and the finite element simulation, an optimized protection method is adopted, which contains a dump resistor and quench heaters. In this paper, the results of adiabatic analysis and quench simulation, such as current decay, hot-spot temperature and terminal voltage are presented in details.

Fabrication of W-Cu alloy via combustion synthesis infiltration under an ultra-gravity field

NASA Astrophysics Data System (ADS)

Song, Yuepeng; Li, Qian; Li, Jiangtao; He, Gang; Chen, Yixiang; Kim, Hyoung Seop

2014-11-01

Tungsten copper alloy with a tungsten concentrate of 70 vol% was prepared by self-propagating high-temperature synthesis in an ultra-gravity field. The phase structures and components of the W-Cu alloy fabricated via this approach were the same as those via traditional sintering methods. The temperature and stress distributions during this process were simulated using a new scheme of the finite element method. The results indicated that nonequilibrium crystallization conditions can be created for combustion synthesis infiltration in an ultra-gravity field by the rapid infiltration of the liquid copper product into the tungsten compact at high temperature and low viscosity. The cooling rate can be above 100,000 K/s and high stresses in tungsten ( 5 GPa) and copper ( 2.6 GPa) were developed, which passivates the tungsten particle surface, resulting in easy sintering and densifying the W-Cu alloy. The reliability of the simulation was verified through temperature measurement and investigation of the microstructure. The W-Cu composite-formation mechanism was also analyzed and discussed with the simulation results.

Faraday Shields within a Solenoidal Coil to Reduce Sample Heating: Numerical Comparison of Designs and Experimental Verification

PubMed Central

Park, BuSik; Neuberger, Thomas; Webb, Andrew G.; Bigler, Don C.; Collins, Christopher M.

2009-01-01

A comparison of methods to decrease RF power dissipation and related heating in conductive samples using passive conductors surrounding a sample in a solenoid coil is presented. Full-Maxwell finite difference time domain numerical calculations were performed to evaluate the effect of the passive conductors by calculating conservative and magnetically-induced electric field and magnetic field distributions. To validate the simulation method, experimental measurements of temperature increase were conducted using a solenoidal coil (diameter 3 mm), a saline sample (10 mM NaCl) and passive copper shielding wires (50 μm diameter). The temperature increase was 58% lower with the copper wires present for several different input powers to the coil. This was in good agreement with simulation for the same geometry, which indicated 57% lower power dissipated in the sample with conductors present. Simulations indicate that some designs should be capable of reducing temperature increase by more than 85%. PMID:19879784

Model assessing thermal changes during high temperature root canal irrigation

PubMed Central

Bartolo, Analise; Koyess, Edmond; Micallef, Christopher

2016-01-01

The main aim of root canal irrigation is to eliminate micro-organisms. Sodium hypochlorite (NaOCl) is considered to be the ideal material and raising its temperature potentiates the antimicrobial activity. NaOCl may lead to localised tissue necrosis when extruded past the root apex. This study analyses the use of high temperature root canal irrigation as an alternative process for the elimination of microorganisms from the root canal system. An experimental set-up was designed where a constant supply of heat was passed from a heat source through a copper wire inside the root canal. The data acquired together with known constants pertaining to enamel and dentine was used to numerically model the thermal changes in a tooth using a finite element method. Results obtained from the finite element thermal model of the tooth were repeatable and were validated with the experimental results. The thermo-physical properties of the tooth were varied and convergence criteria met. The temperatures reached were below what has been reported to cause irreversible damage to the bone. This was further confirmed from a series of simulations that were undertaken. The temperatures achieved were suitable for the elimination of microorganisms during root canal therapy. PMID:27733934

Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature.

PubMed

Litman, Yair; Donadio, Davide; Ceriotti, Michele; Rossi, Mariana

2018-03-14

Water molecules adsorbed on inorganic substrates play an important role in several technological applications. In the presence of light atoms in adsorbates, nuclear quantum effects (NQEs) influence the structural stability and the dynamical properties of these systems. In this work, we explore the impact of NQEs on the dissociation of water wires on stepped Pt(221) surfaces. By performing ab initio molecular dynamics simulations with van der Waals corrected density functional theory, we note that several competing minima for both intact and dissociated structures are accessible at finite temperatures, making it important to assess whether harmonic estimates of the quantum free energy are sufficient to determine the relative stability of the different states. We thus perform ab initio path integral molecular dynamics (PIMD) in order to calculate these contributions taking into account the conformational entropy and anharmonicities at finite temperatures. We propose that when adsorption is weak and NQEs on the substrate are negligible, PIMD simulations can be performed through a simple partition of the system, resulting in considerable computational savings. We then calculate the full contribution of NQEs to the free energies, including also anharmonic terms. We find that they result in an increase of up to 20% of the quantum contribution to the dissociation free energy compared with the harmonic estimates. We also find that the dissociation process has a negligible contribution from tunneling but is dominated by zero point energies, which can enhance the rate of dissociation by three orders of magnitude. Finally we highlight how both temperature and NQEs indirectly impact dipoles and the redistribution of electron density, causing work function changes of up to 0.4 eV with respect to static estimates. This quantitative determination of the change in the work function provides a possible approach to determine experimentally the most stable configurations of water oligomers on the stepped surfaces.

Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature

NASA Astrophysics Data System (ADS)

Litman, Yair; Donadio, Davide; Ceriotti, Michele; Rossi, Mariana

2018-03-01

Water molecules adsorbed on inorganic substrates play an important role in several technological applications. In the presence of light atoms in adsorbates, nuclear quantum effects (NQEs) influence the structural stability and the dynamical properties of these systems. In this work, we explore the impact of NQEs on the dissociation of water wires on stepped Pt(221) surfaces. By performing ab initio molecular dynamics simulations with van der Waals corrected density functional theory, we note that several competing minima for both intact and dissociated structures are accessible at finite temperatures, making it important to assess whether harmonic estimates of the quantum free energy are sufficient to determine the relative stability of the different states. We thus perform ab initio path integral molecular dynamics (PIMD) in order to calculate these contributions taking into account the conformational entropy and anharmonicities at finite temperatures. We propose that when adsorption is weak and NQEs on the substrate are negligible, PIMD simulations can be performed through a simple partition of the system, resulting in considerable computational savings. We then calculate the full contribution of NQEs to the free energies, including also anharmonic terms. We find that they result in an increase of up to 20% of the quantum contribution to the dissociation free energy compared with the harmonic estimates. We also find that the dissociation process has a negligible contribution from tunneling but is dominated by zero point energies, which can enhance the rate of dissociation by three orders of magnitude. Finally we highlight how both temperature and NQEs indirectly impact dipoles and the redistribution of electron density, causing work function changes of up to 0.4 eV with respect to static estimates. This quantitative determination of the change in the work function provides a possible approach to determine experimentally the most stable configurations of water oligomers on the stepped surfaces.

Analytical solution and numerical simulation of the liquid nitrogen freezing-temperature field of a single pipe

NASA Astrophysics Data System (ADS)

Cai, Haibing; Xu, Liuxun; Yang, Yugui; Li, Longqi

2018-05-01

Artificial liquid nitrogen freezing technology is widely used in urban underground engineering due to its technical advantages, such as simple freezing system, high freezing speed, low freezing temperature, high strength of frozen soil, and absence of pollution. However, technical difficulties such as undefined range of liquid nitrogen freezing and thickness of frozen wall gradually emerge during the application process. Thus, the analytical solution of the freezing-temperature field of a single pipe is established considering the freezing temperature of soil and the constant temperature of freezing pipe wall. This solution is then applied in a liquid nitrogen freezing project. Calculation results show that the radius of freezing front of liquid nitrogen is proportional to the square root of freezing time. The radius of the freezing front also decreases with decreased the freezing temperature, and the temperature gradient of soil decreases with increased distance from the freezing pipe. The radius of cooling zone in the unfrozen area is approximately four times the radius of the freezing front. Meanwhile, the numerical simulation of the liquid nitrogen freezing-temperature field of a single pipe is conducted using the Abaqus finite-element program. Results show that the numerical simulation of soil temperature distribution law well agrees with the analytical solution, further verifies the reliability of the established analytical solution of the liquid nitrogen freezing-temperature field of a single pipe.

Investigation of multi-stage cold forward extrusion process using coupled thermo-mechanical finite element analysis

NASA Astrophysics Data System (ADS)

Görtan, Mehmet Okan

2018-05-01

Cold extrusion processes are distinguished by their low material usage as well as great efficiency in the production of mid-range and large component series. Although majority of the cold extruded parts are produced using die systems containing multiple forming stages, this subject has rarely been investigated so far. Therefore, the characteristics of multi-stage cold forward rod extrusion is studied in the current work using thermo-mechanically coupled finite element (FE) analysis. A case hardening steel, 16MnCr5 (1.7131) was used as experimental material. Its strain, strain rate and temperature dependent mechanical characteristics were determined using compression testing and modeled in FE simulations via a Johnson-Cook material model. Friction coefficients for the same material while in contact with a tool steel (1.2379) were determined dependent on temperature and contact pressure using sliding compression test (SCT) and modeled by an adaptive friction model developed by the author. In the first set of simulations, rod material with a diameter of 14.9 mm was extruded down to a diameter of 9.6 mm in a single step using three different die opening angles (2α); 20°, 40° and 60°. In the second set of investigations, the same rod was reduced first to 12 mm and then to 9.6 mm in two steps within the same forming die. Press forces, contact normal stresses between extruded material and forming die, material temperature and axial stresses are compared in these two set of simulations and the differences are discussed.

Computational homogenisation for thermoviscoplasticity: application to thermally sprayed coatings

NASA Astrophysics Data System (ADS)

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

2017-11-01

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

A Comparison between the Properties of Solid Cylinders and Tube Products in Multi-Pass Hot Radial Forging Using Finite Element Method

NASA Astrophysics Data System (ADS)

Abedian, A.; Poursina, M.; Golestanian, H.

2007-05-01

Radial forging is an open die forging process used for reducing the diameter of shafts, tubes, stepped shafts and axels, and creating internal profiles for tubes such as rifling of gun barrels. In this work, a comprehensive study of multi-pass hot radial forging of short hollow and solid products are presented using 2-D axisymmetric finite element simulation. The workpiece is modeled as an elastic-viscoplastic material. A mixture of Coulomb law and constant limit shear is used to model the die-workpiece and mandrel-workpiece contacts. Thermal effects are also taken in to account. Three-pass radial forging of solid cylinders and tube products are considered. Temperature, stress, strain and metal flow distribution are obtained in each pass through thermo-mechanical simulation. The numerical results are compared with available experimental data and are in good agreement with them.

Accelerated path integral methods for atomistic simulations at ultra-low temperatures

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

Uhl, Felix, E-mail: felix.uhl@rub.de; Marx, Dominik; Ceriotti, Michele

2016-08-07

Path integral methods provide a rigorous and systematically convergent framework to include the quantum mechanical nature of atomic nuclei in the evaluation of the equilibrium properties of molecules, liquids, or solids at finite temperature. Such nuclear quantum effects are often significant for light nuclei already at room temperature, but become crucial at cryogenic temperatures such as those provided by superfluid helium as a solvent. Unfortunately, the cost of converged path integral simulations increases significantly upon lowering the temperature so that the computational burden of simulating matter at the typical superfluid helium temperatures becomes prohibitive. Here we investigate how accelerated pathmore » integral techniques based on colored noise generalized Langevin equations, in particular the so-called path integral generalized Langevin equation thermostat (PIGLET) variant, perform in this extreme quantum regime using as an example the quasi-rigid methane molecule and its highly fluxional protonated cousin, CH{sub 5}{sup +}. We show that the PIGLET technique gives a speedup of two orders of magnitude in the evaluation of structural observables and quantum kinetic energy at ultralow temperatures. Moreover, we computed the spatial spread of the quantum nuclei in CH{sub 4} to illustrate the limits of using such colored noise thermostats close to the many body quantum ground state.« less

Study on Hydroforming of Magnesium Alloy Tube under Temperature Condition

NASA Astrophysics Data System (ADS)

Wang, Xinsong; Wang, Shouren; Zhang, Yongliang; Wang, Gaoqi; Guo, Peiquan; Qiao, Yang

2018-01-01

First of all, under 100 °C, 150 °C, 200 °C, 250 °C, 300 °C and 350 °C, respectively do the test of magnesium alloy AZ31B temperature tensile and the fracture of SEM electron microscopic scanning, studying the plastic forming ability under six different temperature. Secondly, observe and study the real stress-strain curves and fracture topography. Through observation and research can concluded that with the increase of temperature, the yield strength and tensile strength of AZ31B was increased, and the elongation rate and the plastic deformation capacity are increased obviously. Taking into account the actual production, energy consumption, and mold temperature resistance, 250 °Cwas the best molding temperature. Finally, under the temperature condition of 250 °C, the finite element simulation and simulation of magnesium alloy profiled tube were carried out by Dynaform, and the special wall and forming limit diagram of magnesium alloy were obtained. According to the forming wall thickness and forming limit diagram, the molding experiment can be optimized continuously.

Simulations and Experiments of the Nonisothermal Forging Process of a Ti-6Al-4V Impeller

NASA Astrophysics Data System (ADS)

Prabhu, T. Ram

2016-09-01

In the present study, a nonisothermal precision forging process of a Ti-6Al-4V first-stage impeller for the gas turbine engine was simulated using the finite element software. The simulation results such as load requirements, damage, velocity field, stress, strain, and temperature distributions are discussed in detail. Simulations predicted the maximum load requirement of about 80 MN. The maximum temperature loss was observed at the contour surface regions. The center and contour regions are the high-strained regions in the part. To validate the model, forging experiments mimicking simulations were performed in the α + β phases region (930 °C). The selected locations of the part were characterized for tensile properties at 27 and 200 °C, hardness, microstructure, grain size, and the amount of primary α phase based on the strain distribution results. The soundness of the forged part was verified using fluorescent penetrant test (Mil Std 2175 Grade A) and ultrasonic test (AMS 2630 class A1). From the experimental results, it was found that the variations in the hardness, tensile properties at room, and elevated temperature are not significant. The microstructure, grain size, and primary α phase content are nearly same.

On the formulation and assessment of flamelet-generated manifolds applied to two-phase turbulent combustion

NASA Astrophysics Data System (ADS)

Bojko, Brian T.

Accounting for the effects of finite rate chemistry in reacting flows is intractable when considering the number of species and reactions to be solved for during a large scale flow simulation. This is especially complicated when solid/liquid fuels are also considered. While modeling the reacting boundary layer with the use of finite-rate chemistry may allow for a highly accurate description of the coupling between the flame and fuel surface, it is not tractable in large scale simulations when considering detailed chemical kinetics. It is the goal of this research to investigate a Flamelet-Generated Manifold (FGM) method in order to reduce the finite rate chemistry to a lookup table cataloged by progress variables and queried during runtime. In this study, simplified unsteady 1D flames with mass blowing are considered for a solid biomass fuel where the FGM method is employed as a model reduction strategy for potential application to multidimensional calculations. Two types of FGM are considered. The first are a set of steady-state flames differentiated by their scalar dissipation rate. Results show the use of steady flames produce unacceptable errors compared to the finite-rate chemistry solution, with temperature errors in excess of 45%. To avoid these errors, a new methodology for developing an unsteady FGM (UFGM) is presented that accounts for unsteady diffusion effects and greatly reduces errors in temperature with differences that are under 10%. The FGM modeling is then extended to individual droplet combustion with the development of a Droplet Flamelet-Generated Manifold (DFGM) to account for the effects of finite-rate chemistry of individual droplets. A spherically symmetric droplet model is developed for methanol and aluminum. The inclusion of finite-rate chemistry allows the capturing of the transition from diffusion to kinetically controlled combustion as the droplet diameter decreases. The droplet model is then used to create a DFGM by successively solving the 1D flame equations at varying drop sizes, where the source terms for energy, mixture fraction, and progress variable are cataloged as a function of normalized diameter. A unique coupling of the DFGM and planar UFGM is developed and is used to account for individual and gas phase combustion processes in turbulent combustion situations, such as spray flames, particle laden blasts, etc. The DFGM for the methanol and aluminum droplets are used in mixed Eulerian and Eulerian-Lagrangian formulations of compressible multiphase flows. System level simulations are conducted and compared experimental data for a methanol spray flame and an aluminized blast studied at the Explosives Components Facility (ECF) at Sandia National Laboratories.

A multi-scale model of dislocation plasticity in α-Fe: Incorporating temperature, strain rate and non-Schmid effects

DOE PAGES

Lim, H.; Hale, L. M.; Zimmerman, J. A.; ...

2015-01-05

In this study, we develop an atomistically informed crystal plasticity finite element (CP-FE) model for body-centered-cubic (BCC) α-Fe that incorporates non-Schmid stress dependent slip with temperature and strain rate effects. Based on recent insights obtained from atomistic simulations, we propose a new constitutive model that combines a generalized non-Schmid yield law with aspects from a line tension (LT) model for describing activation enthalpy required for the motion of dislocation kinks. Atomistic calculations are conducted to quantify the non-Schmid effects while both experimental data and atomistic simulations are used to assess the temperature and strain rate effects. The parameterized constitutive equationmore » is implemented into a BCC CP-FE model to simulate plastic deformation of single and polycrystalline Fe which is compared with experimental data from the literature. This direct comparison demonstrates that the atomistically informed model accurately captures the effects of crystal orientation, temperature and strain rate on the flow behavior of siangle crystal Fe. Furthermore, our proposed CP-FE model exhibits temperature and strain rate dependent flow and yield surfaces in polycrystalline Fe that deviate from conventional CP-FE models based on Schmid's law.« less

Quantum approach to classical statistical mechanics.

PubMed

Somma, R D; Batista, C D; Ortiz, G

2007-07-20

We present a new approach to study the thermodynamic properties of d-dimensional classical systems by reducing the problem to the computation of ground state properties of a d-dimensional quantum model. This classical-to-quantum mapping allows us to extend the scope of standard optimization methods by unifying them under a general framework. The quantum annealing method is naturally extended to simulate classical systems at finite temperatures. We derive the rates to assure convergence to the optimal thermodynamic state using the adiabatic theorem of quantum mechanics. For simulated and quantum annealing, we obtain the asymptotic rates of T(t) approximately (pN)/(k(B)logt) and gamma(t) approximately (Nt)(-c/N), for the temperature and magnetic field, respectively. Other annealing strategies are also discussed.

Simulation of a steady-state integrated human thermal system.

NASA Technical Reports Server (NTRS)

Hsu, F. T.; Fan, L. T.; Hwang, C. L.

1972-01-01

The mathematical model of an integrated human thermal system is formulated. The system consists of an external thermal regulation device on the human body. The purpose of the device (a network of cooling tubes held in contact with the surface of the skin) is to maintain the human body in a state of thermoneutrality. The device is controlled by varying the inlet coolant temperature and coolant mass flow rate. The differential equations of the model are approximated by a set of algebraic equations which result from the application of the explicit forward finite difference method to the differential equations. The integrated human thermal system is simulated for a variety of combinations of the inlet coolant temperature, coolant mass flow rate, and metabolic rates.

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

Statistical mechanics of a cat's cradle

NASA Astrophysics Data System (ADS)

Shen, Tongye; Wolynes, Peter G.

2006-11-01

It is believed that, much like a cat's cradle, the cytoskeleton can be thought of as a network of strings under tension. We show that both regular and random bond-disordered networks having bonds that buckle upon compression exhibit a variety of phase transitions as a function of temperature and extension. The results of self-consistent phonon calculations for the regular networks agree very well with computer simulations at finite temperature. The analytic theory also yields a rigidity onset (mechanical percolation) and the fraction of extended bonds for random networks. There is very good agreement with the simulations by Delaney et al (2005 Europhys. Lett. 72 990). The mean field theory reveals a nontranslationally invariant phase with self-generated heterogeneity of tautness, representing 'antiferroelasticity'.

Three-dimensional finite element simulations of vertebral body thermal treatment (Invited Paper)

NASA Astrophysics Data System (ADS)

Ryan, Thomas P.; Patel, Samit J.; Morris, Ronit; Hoopes, P. J.; Bergeron, Jeffrey A.; Mahajan, Roop

2005-04-01

Lower back pain affects a large group of people worldwide and when in its early stages, has no viable interventional treatment. In order to avoid the eventuality of an invasive surgical procedure, which is further down the Care Pathway, an interventional treatment that is minimally invasive and arrests the patient's pain would be of tremendous clinical benefit. There is a hypothesis that if the basivertebral nerve in the vertebral body is defunctionalized, lower back pain may be lessened. To further investigate creating a means to provide localized thermal therapy, bench and animal studies were planned, but to help select the applicator configuration and placement, numerical modeling studies were undertaken. A 3D finite element model was utilized to predict the electric field pattern and power deposition pattern of radiofrequency (RF) based electrodes. Three types of tissues were modeled: 1) porcine (ex-vivo), ovine (in-vivo preclinical), and 3) human (ex-vivo, in-vivo). Two types of RF devices were simulated: 1) a pair of converging, hollow electrodes, and 2) an in-line pair of spaced-apart electrodes. Temperature distributions over time were plotted using the electric field results and the bioheat equation. Since the thermal and electrical properties of the vertebral bodies of porcine, ovine, and human tissue were not available, measurements were undertaken to capture these data to input into the model. The measurements of electrical and thermal properties of cancellous and cortical vertebral body were made over a range of temperatures. The simulation temperature results agreed with live animal and human cadaver studies. In addition, the lesion shapes predicted in the simulations matched CT and MRI studies done during the chronic ovine study, as well as histology results. In conclusion, the simulations aided in shaping and sizing the RF electrodes, as well as positioning them in the vertebral body structures to assure that the basivertebral nerve was ablated, but other neighboring structures such as the spinal cord and nerve roots were spared.

Thermal conductivity measurement of amorphous dielectric multilayers for phase-change memory power reduction

NASA Astrophysics Data System (ADS)

Fong, S. W.; Sood, A.; Chen, L.; Kumari, N.; Asheghi, M.; Goodson, K. E.; Gibson, G. A.; Wong, H.-S. P.

2016-07-01

In this work, we investigate the temperature-dependent thermal conductivities of few nanometer thick alternating stacks of amorphous dielectrics, specifically SiO2/Al2O3 and SiO2/Si3N4. Experiments using steady-state Joule-heating and electrical thermometry, while using a micro-miniature refrigerator over a wide temperature range (100-500 K), show that amorphous thin-film multilayer SiO2/Si3N4 and SiO2/Al2O3 exhibit through-plane room temperature effective thermal conductivities of about 1.14 and 0.48 W/(m × K), respectively. In the case of SiO2/Al2O3, the reduced conductivity is attributed to lowered film density (7.03 → 5.44 × 1028 m-3 for SiO2 and 10.2 → 8.27 × 1028 m-3 for Al2O3) caused by atomic layer deposition of thin-films as well as a small, finite, and repeating thermal boundary resistance (TBR) of 1.5 m2 K/GW between dielectric layers. Molecular dynamics simulations reveal that vibrational mismatch between amorphous oxide layers is small, and that the TBR between layers is largely due to imperfect interfaces. Finally, the impact of using this multilayer dielectric in a dash-type phase-change memory device is studied using finite-element simulations.

The new finite temperature Schrödinger equations with strong or weak interaction

NASA Astrophysics Data System (ADS)

Li, Heling; Yang, Bin; Shen, Hongjun

2017-07-01

Implanting the thoughtway of thermostatistics into quantum mechanics, we formulate new Schrödinger equations of multi-particle and single-particle respectively at finite temperature. To get it, the pure-state free energies and the microscopic entropy operators are introduced and meantime the pure-state free energies take the places of mechanical energies at finite temperature. The definition of microscopic entropy introduced by Wu was also revised, and the strong or weak interactions dependent on temperature are considered in multi-particle Schrödinger Equations. Based on the new Schrödinger equation at finite temperature, two simple cases were analyzed. The first one is concerning some identical harmonic oscillators in N lattice points and the other one is about N unrelated particles in three dimensional in finite potential well. From the results gotten, we conclude that the finite temperature Schrödinger equation is particularly important for mesoscopic systems.

Numerical simulation of fluid flow around a scramaccelerator projectile

NASA Technical Reports Server (NTRS)

Pepper, Darrell W.; Humphrey, Joseph W.; Sobota, Thomas H.

1991-01-01

Numerical simulations of the fluid motion and temperature distribution around a 'scramaccelerator' projectile are obtained for Mach numbers in the 5-10 range. A finite element method is used to solve the equations of motion for inviscid and viscous two-dimensional or axisymmetric compressible flow. The time-dependent equations are solved explicitly, using bilinear isoparametric quadrilateral elements, mass lumping, and a shock-capturing Petrov-Galerkin formulation. Computed results indicate that maintaining on-design performance for controlling and stabilizing oblique detonation waves is critically dependent on projectile shape and Mach number.

Micro-scale finite element modeling of ultrasound propagation in aluminum trabecular bone-mimicking phantoms: A comparison between numerical simulation and experimental results.

PubMed

Vafaeian, B; Le, L H; Tran, T N H T; El-Rich, M; El-Bialy, T; Adeeb, S

2016-05-01

The present study investigated the accuracy of micro-scale finite element modeling for simulating broadband ultrasound propagation in water-saturated trabecular bone-mimicking phantoms. To this end, five commercially manufactured aluminum foam samples as trabecular bone-mimicking phantoms were utilized for ultrasonic immersion through-transmission experiments. Based on micro-computed tomography images of the same physical samples, three-dimensional high-resolution computational samples were generated to be implemented in the micro-scale finite element models. The finite element models employed the standard Galerkin finite element method (FEM) in time domain to simulate the ultrasonic experiments. The numerical simulations did not include energy dissipative mechanisms of ultrasonic attenuation; however, they expectedly simulated reflection, refraction, scattering, and wave mode conversion. The accuracy of the finite element simulations were evaluated by comparing the simulated ultrasonic attenuation and velocity with the experimental data. The maximum and the average relative errors between the experimental and simulated attenuation coefficients in the frequency range of 0.6-1.4 MHz were 17% and 6% respectively. Moreover, the simulations closely predicted the time-of-flight based velocities and the phase velocities of ultrasound with maximum relative errors of 20 m/s and 11 m/s respectively. The results of this study strongly suggest that micro-scale finite element modeling can effectively simulate broadband ultrasound propagation in water-saturated trabecular bone-mimicking structures. Copyright © 2016 Elsevier B.V. All rights reserved.

Nanoscale High Energetic Materials: A Polymeric Nitrogen Chain N8 Confined inside a Carbon Nanotube

NASA Astrophysics Data System (ADS)

Abou-Rachid, Hakima; Hu, Anguang; Timoshevskii, Vladimir; Song, Yanfeng; Lussier, Louis-Simon

2008-05-01

We present a theoretical study of a new hybrid material, nanostructured polymeric nitrogen, where a polymeric nitrogen chain is encapsulated in a carbon nanotube. The electronic and structural properties of the new system are studied by means of ab initio electronic structure and molecular dynamics calculations. Finite temperature simulations demonstrate the stability of this nitrogen phase at ambient pressure and room temperature using carbon nanotube confinement. This nanostructured confinement may open a new path towards stabilizing polynitrogen or polymeric nitrogen at ambient conditions.

Three-dimensional vector modeling and restoration of flat finite wave tank radiometric measurements

NASA Technical Reports Server (NTRS)

Truman, W. M.; Balanis, C. A.

1977-01-01

The three-dimensional vector interaction between a microwave radiometer and a wave tank was modeled. Computer programs for predicting the response of the radiometer to the brightness temperature characteristics of the surroundings were developed along with a computer program that can invert (restore) the radiometer measurements. It is shown that the computer programs can be used to simulate the viewing of large bodies of water, and is applicable to radiometer measurements received from satellites monitoring the ocean. The water temperature, salinity, and wind speed can be determined.

Topological susceptibility in finite temperature (2 +1 )-flavor QCD using gradient flow

NASA Astrophysics Data System (ADS)

Taniguchi, Yusuke; Kanaya, Kazuyuki; Suzuki, Hiroshi; Umeda, Takashi; WHOT-QCD Collaboration

2017-03-01

We compute the topological charge and its susceptibility in finite temperature (2 +1 )-flavor QCD on the lattice applying a gradient flow method. With the Iwasaki gauge action and nonperturbatively O (a ) -improved Wilson quarks, we perform simulations on a fine lattice with a ≃0.07 fm at a heavy u , d quark mass with mπ/mρ≃0.63 , but approximately physical s quark mass with mηss/mϕ≃0.74 . In a temperature range from T ≃174 MeV (Nt=16 ) to 697 MeV (Nt=4 ), we study two topics on the topological susceptibility. One is a comparison of gluonic and fermionic definitions of the topological susceptibility. Because the two definitions are related by chiral Ward-Takahashi identities, their equivalence is not trivial for lattice quarks which violate the chiral symmetry explicitly at finite lattice spacings. The gradient flow method enables us to compute them without being bothered by the chiral violation. We find a good agreement between the two definitions with Wilson quarks. The other is a comparison with a prediction of the dilute instanton gas approximation, which is relevant in a study of axions as a candidate of the dark matter in the evolution of the Universe. We find that the topological susceptibility shows a decrease in T which is consistent with the predicted χt(T )∝(T /Tpc)-8 for three-flavor QCD even at low temperature Tpc

Dynamical phase transitions at finite temperature from fidelity and interferometric Loschmidt echo induced metrics

NASA Astrophysics Data System (ADS)

Mera, Bruno; Vlachou, Chrysoula; Paunković, Nikola; Vieira, Vítor R.; Viyuela, Oscar

2018-03-01

We study finite-temperature dynamical quantum phase transitions (DQPTs) by means of the fidelity and the interferometric Loschmidt echo (LE) induced metrics. We analyze the associated dynamical susceptibilities (Riemannian metrics), and derive analytic expressions for the case of two-band Hamiltonians. At zero temperature, the two quantities are identical, nevertheless, at finite temperatures they behave very differently. Using the fidelity LE, the zero-temperature DQPTs are gradually washed away with temperature, while the interferometric counterpart exhibits finite-temperature phase transitions. We analyze the physical differences between the two finite-temperature LE generalizations, and argue that, while the interferometric one is more sensitive and can therefore provide more information when applied to genuine quantum (microscopic) systems, when analyzing many-body macroscopic systems, the fidelity-based counterpart is a more suitable quantity to study. Finally, we apply the previous results to two representative models of topological insulators in one and two dimensions.

Measurement and simulation of deformation and stresses in steel casting

NASA Astrophysics Data System (ADS)

Galles, D.; Monroe, C. A.; Beckermann, C.

2012-07-01

Experiments are conducted to measure displacements and forces during casting of a steel bar in a sand mold. In some experiments the bar is allowed to contract freely, while in others the bar is manually strained using embedded rods connected to a frame. Solidification and cooling of the experimental castings are simulated using a commercial code, and good agreement between measured and predicted temperatures is obtained. The deformations and stresses in the experiments are simulated using an elasto-viscoplastic finite-element model. The high temperature mechanical properties are estimated from data available in the literature. The mush is modeled using porous metal plasticity theory, where the coherency and coalescence solid fraction are taken into account. Good agreement is obtained between measured and predicted displacements and forces. The results shed considerable light on the modeling of stresses in steel casting and help in developing more accurate models for predicting hot tears and casting distortions.

Thermo-Mechanical Calculations of Hybrid Rotary Friction Welding at Equal Diameter Copper Bars and Effects of Essential Parameters on Dependent Special Variables

NASA Astrophysics Data System (ADS)

Parsa, M. H.; Davari, H.; Hadian, A. M.; Ahmadabadi, M. Nili

2007-05-01

Hybrid Rotary Friction Welding is a modified type of common rotary friction welding processes. In this welding method parameters such as pressure, angular velocity and time of welding control temperature, stress, strain and their variations. These dependent factors play an important rule in defining optimum process parameters combinations in order to improve the design and manufacturing of welding machines and quality of welded parts. Thermo-mechanical simulation of friction welding has been carried out and it has been shown that, simulation is an important tool for prediction of generated heat and strain at the weld interface and can be used for prediction of microstructure and evaluation of quality of welds. For simulation of Hybrid Rotary Friction Welding, a commercial finite element program has been used and the effects of pressure and rotary velocity of rotary part on temperature and strain variations have been investigated.

Numerical simulation of magnetic field for compact electromagnet consisting of REBCO coils and iron yoke

NASA Astrophysics Data System (ADS)

You, Shuangrong; Chi, Changxin; Guo, Yanqun; Bai, Chuanyi; Liu, Zhiyong; Lu, Yuming; Cai, Chuanbing

2018-07-01

This paper presents the numerical simulation of a high-temperature superconductor electromagnet consisting of REBCO (RE-Ba2Cu3O7‑x, RE: rare earth) superconducting tapes and a ferromagnetic iron yoke. The REBCO coils with multi-width design are operating at 77 K, with the iron yoke at room temperature, providing a magnetic space with a 32 mm gap between two poles. The finite element method is applied to compute the 3D model of the studied magnet. Simulated results show that the magnet generates a 1.5 T magnetic field at an operating current of 38.7 A, and the spatial inhomogeneity of the field is 0.8% in a Φ–20 mm diameter sphere volume. Compared with the conventional iron electromagnet, the present compact design is more suitable for practical application.

SUPG Finite Element Simulations of Compressible Flows

NASA Technical Reports Server (NTRS)

Kirk, Brnjamin, S.

2006-01-01

The Streamline-Upwind Petrov-Galerkin (SUPG) finite element simulations of compressible flows is presented. The topics include: 1) Introduction; 2) SUPG Galerkin Finite Element Methods; 3) Applications; and 4) Bibliography.

Designing shape-memory Heusler alloys from first-principles

NASA Astrophysics Data System (ADS)

Siewert, M.; Gruner, M. E.; Dannenberg, A.; Chakrabarti, A.; Herper, H. C.; Wuttig, M.; Barman, S. R.; Singh, S.; Al-Zubi, A.; Hickel, T.; Neugebauer, J.; Gillessen, M.; Dronskowski, R.; Entel, P.

2011-11-01

The phase diagrams of magnetic shape-memory Heusler alloys, in particular, ternary Ni-Mn-Z and quarternary (Pt, Ni)-Mn-Z alloys with Z = Ga, Sn, have been addressed by density functional theory and Monte Carlo simulations. Finite temperature free energy calculations show that the phonon contribution stabilizes the high-temperature austenite structure while at low temperatures magnetism and the band Jahn-Teller effect favor the modulated monoclinic 14M or the nonmodulated tetragonal structure. The substitution of Ni by Pt leads to a series of magnetic shape-memory alloys with very similar properties to Ni-Mn-Ga but with a maximal eigenstrain of 14%.

Predicting Hot Deformation of AA5182 Sheet

NASA Astrophysics Data System (ADS)

Lee, John T.; Carpenter, Alexander J.; Jodlowski, Jakub P.; Taleff, Eric M.

Aluminum 5000-series alloy sheet materials exhibit substantial ductilities at hot and warm temperatures, even when grain size is not particularly fine. The relatively high strain-rate sensitivity exhibited by these non-superplastic materials, when deforming under solute-drag creep, is a primary contributor to large tensile ductilities. This active deformation mechanism influences both plastic flow and microstructure evolution across conditions of interest for hot- and warm-forming. Data are presented from uniaxial tensile and biaxial bulge tests of AA5182 sheet material at elevated temperatures. These data are used to construct a material constitutive model for plastic flow, which is applied in finite-element-method (FEM) simulations of plastic deformation under multiaxial stress states. Simulation results are directly compared against experimental data to explore the usefulness of this constitutive model. The effects of temperature and stress state on plastic response and microstructure evolution are discussed.

The analysis of temperature effect and temperature compensation of MOEMS accelerometer based on a grating interferometric cavity

NASA Astrophysics Data System (ADS)

Han, Dandan; Bai, Jian; Lu, Qianbo; Lou, Shuqi; Jiao, Xufen; Yang, Guoguang

2016-08-01

There is a temperature drift of an accelerometer attributed to the temperature variation, which would adversely influence the output performance. In this paper, a quantitative analysis of the temperature effect and the temperature compensation of a MOEMS accelerometer, which is composed of a grating interferometric cavity and a micromachined sensing chip, are proposed. A finite-element-method (FEM) approach is applied in this work to simulate the deformation of the sensing chip of the MOEMS accelerometer at different temperature from -20°C to 70°C. The deformation results in the variation of the distance between the grating and the sensing chip of the MOEMS accelerometer, modulating the output intensities finally. A static temperature model is set up to describe the temperature characteristics of the accelerometer through the simulation results and the temperature compensation is put forward based on the temperature model, which can improve the output performance of the accelerometer. This model is permitted to estimate the temperature effect of this type accelerometer, which contains a micromachined sensing chip. Comparison of the output intensities with and without temperature compensation indicates that the temperature compensation can improve the stability of the output intensities of the MOEMS accelerometer based on a grating interferometric cavity.

Conservative properties of finite difference schemes for incompressible flow

NASA Technical Reports Server (NTRS)

Morinishi, Youhei

1995-01-01

The purpose of this research is to construct accurate finite difference schemes for incompressible unsteady flow simulations such as LES (large-eddy simulation) or DNS (direct numerical simulation). In this report, conservation properties of the continuity, momentum, and kinetic energy equations for incompressible flow are specified as analytical requirements for a proper set of discretized equations. Existing finite difference schemes in staggered grid systems are checked for satisfaction of the requirements. Proper higher order accurate finite difference schemes in a staggered grid system are then proposed. Plane channel flow is simulated using the proposed fourth order accurate finite difference scheme and the results compared with those of the second order accurate Harlow and Welch algorithm.

Efficient finite element simulation of slot spirals, slot radomes and microwave structures

NASA Technical Reports Server (NTRS)

Gong, J.; Volakis, J. L.

1995-01-01

This progress report contains the following two documents: (1) 'Efficient Finite Element Simulation of Slot Antennas using Prismatic Elements' - A hybrid finite element-boundary integral (FE-BI) simulation technique is discussed to treat narrow slot antennas etched on a planar platform. Specifically, the prismatic elements are used to reduce the redundant sampling rates and ease the mesh generation process. Numerical results for an antenna slot and frequency selective surfaces are presented to demonstrate the validity and capability of the technique; and (2) 'Application and Design Guidelines of the PML Absorber for Finite Element Simulations of Microwave Packages' - The recently introduced perfectly matched layer (PML) uniaxial absorber for frequency domain finite element simulations has several advantages. In this paper we present the application of PML for microwave circuit simulations along with design guidelines to obtain a desired level of absorption. Different feeding techniques are also investigated for improved accuracy.

Residual stress investigation of via-last through-silicon via by polarized Raman spectroscopy measurement and finite element simulation

NASA Astrophysics Data System (ADS)

Feng, Wei; Watanabe, Naoya; Shimamoto, Haruo; Aoyagi, Masahiro; Kikuchi, Katsuya

2018-07-01

The residual stresses induced around through-silicon vias (TSVs) by a fabrication process is one of the major concerns of reliability. We proposed a methodology to investigate the residual stress in a via-last TSV. Firstly, radial and axial thermal stresses were measured by polarized Raman spectroscopy. The agreement between the simulated stress level and measured results validated the detail simulation model. Furthermore, the validated simulation model was adopted to the study of residual stress by element death/birth methods. The residual stress at room temperature concentrates at passivation layers owing to the high fabrication process temperatures of 420 °C for SiN film and 350 °C for SiO2 films. For a Si substrate, a high-level stress was observed near potential device locations, which requires attention to address reliability concerns in stress-sensitive devices. This methodology of residual stress analysis can be adopted to investigate the residual stress in other devices.

Heat Transfer and Thermal Stress Analysis of a Mandibular Molar Tooth Restored by Different Indirect Restorations Using a Three-Dimensional Finite Element Method.

PubMed

Çelik Köycü, Berrak; İmirzalıoğlu, Pervin

2017-07-01

Daily consumption of food and drink creates rapid temperature changes in the oral cavity. Heat transfer and thermal stress caused by temperature changes in restored teeth may damage the hard and soft tissue components, resulting in restoration failure. This study evaluates the temperature distribution and related thermal stress on mandibular molar teeth restored via three indirect restorations using three-dimensional (3D) finite element analysis (FEA). A 3D finite element model was constructed of a mandibular first molar and included enamel, dentin, pulp, surrounding bone, and indirect class 2 restorations of type 2 dental gold alloy, ceramic, and composite resin. A transient thermal FEA was performed to investigate the temperature distribution and the resulting thermal stress after simulated temperature changes from 36°C to 4 or 60°C for a 2-second time period. The restoration models had similar temperature distributions at 2 seconds in both the thermal conditions. Compared with 60°C exposure, the 4°C condition resulted in thermal stress values of higher magnitudes. At 4ºC, the highest stress value observed was tensile stress (56 to 57 MPa), whereas at 60°C, the highest stress value observed was compressive stress (42 to 43 MPa). These stresses appeared at the cervical region of the lingual enamel. The thermal stress at the restoration surface and resin cement showed decreasing order of magnitude as follows: composite > gold > ceramic, in both thermal conditions. The properties of the restorative materials do not affect temperature distribution at 2 seconds in restored teeth. The pulpal temperature is below the threshold for vital pulp tissue (42ºC). Temperature changes generate maximum thermal stress at the cervical region of the enamel. With the highest thermal expansion coefficient, composite resin restorations exhibit higher stress patterns than ceramic and gold restorations. © 2015 by the American College of Prosthodontists.

Finite element analysis of heat load of tungsten relevant to ITER conditions

NASA Astrophysics Data System (ADS)

Zinovev, A.; Terentyev, D.; Delannay, L.

2017-12-01

A computational procedure is proposed in order to predict the initiation of intergranular cracks in tungsten with ITER specification microstructure (i.e. characterised by elongated micrometre-sized grains). Damage is caused by a cyclic heat load, which emerges from plasma instabilities during operation of thermonuclear devices. First, a macroscopic thermo-mechanical simulation is performed in order to obtain temperature- and strain field in the material. The strain path is recorded at a selected point of interest of the macroscopic specimen, and is then applied at the microscopic level to a finite element mesh of a polycrystal. In the microscopic simulation, the stress state at the grain boundaries serves as the marker of cracking initiation. The simulated heat load cycle is a representative of edge-localized modes, which are anticipated during normal operations of ITER. Normal stresses at the grain boundary interfaces were shown to strongly depend on the direction of grain orientation with respect to the heat flux direction and to attain higher values if the flux is perpendicular to the elongated grains, where it apparently promotes crack initiation.

A novel method for characterizing the impact response of functionally graded plates

NASA Astrophysics Data System (ADS)

Larson, Reid A.

Functionally graded material (FGM) plates are advanced composites with properties that vary continuously through the thickness of the plate. Metal-ceramic FGM plates have been proposed for use in thermal protection systems where a metal-rich interior surface of the plate gradually transitions to a ceramic-rich exterior surface of the plate. The ability of FGMs to resist impact loads must be demonstrated before using them in high-temperature environments in service. This dissertation presents a novel technique by which the impact response of FGM plates is characterized for low-velocity, low- to medium-energy impact loads. An experiment was designed where strain histories in FGM plates were collected during impact events. These strain histories were used to validate a finite element simulation of the test. A parameter estimation technique was developed to estimate local material properties in the anisotropic, non-homogenous FGM plates to optimize the finite element simulations. The optimized simulations captured the physics of the impact events. The method allows research & design engineers to make informed decisions necessary to implement FGM plates in aerospace platforms.

Numerical simulations of clinical focused ultrasound functional neurosurgery

NASA Astrophysics Data System (ADS)

Pulkkinen, Aki; Werner, Beat; Martin, Ernst; Hynynen, Kullervo

2014-04-01

A computational model utilizing grid and finite difference methods were developed to simulate focused ultrasound functional neurosurgery interventions. The model couples the propagation of ultrasound in fluids (soft tissues) and solids (skull) with acoustic and visco-elastic wave equations. The computational model was applied to simulate clinical focused ultrasound functional neurosurgery treatments performed in patients suffering from therapy resistant chronic neuropathic pain. Datasets of five patients were used to derive the treatment geometry. Eight sonications performed in the treatments were then simulated with the developed model. Computations were performed by driving the simulated phased array ultrasound transducer with the acoustic parameters used in the treatments. Resulting focal temperatures and size of the thermal foci were compared quantitatively, in addition to qualitative inspection of the simulated pressure and temperature fields. This study found that the computational model and the simulation parameters predicted an average of 24 ± 13% lower focal temperature elevations than observed in the treatments. The size of the simulated thermal focus was found to be 40 ± 13% smaller in the anterior-posterior direction and 22 ± 14% smaller in the inferior-superior direction than in the treatments. The location of the simulated thermal focus was off from the prescribed target by 0.3 ± 0.1 mm, while the peak focal temperature elevation observed in the measurements was off by 1.6 ± 0.6 mm. Although the results of the simulations suggest that there could be some inaccuracies in either the tissue parameters used, or in the simulation methods, the simulations were able to predict the focal spot locations and temperature elevations adequately for initial treatment planning performed to assess, for example, the feasibility of sonication. The accuracy of the simulations could be improved if more precise ultrasound tissue properties (especially of the skull bone) could be obtained.

The topological susceptibility from grand canonical simulations in the interacting instanton liquid model: Chiral phase transition and axion mass

NASA Astrophysics Data System (ADS)

Wantz, Olivier; Shellard, E. P. S.

2010-04-01

This is the last in a series of papers on the topological susceptibility in the interacting instanton liquid model (IILM). We will derive improved finite temperature interactions to study the thermodynamic limit of grand canonical Monte Carlo simulations in the quenched and unquenched case with light, physical quark masses. In particular, we will be interested in chiral symmetry breaking. The paper culminates by giving, for the first time, a well-motivated temperature-dependent axion mass. Especially, this work finally provides a computation of the axion mass in the low temperature regime, ma2fa2=1.46×10-3Λ41+0.50 T/Λ1+(3.53 . It connects smoothly to the high temperature dilute gas approximation; the latter is improved by including quark threshold effects. To compare with earlier studies, we also provide the usual power-law ma2=αΛ4fa2(T, where Λ=400 MeV, n=6.68 and α=1.68×10-7.

Thermal structure of oceanic transform faults

USGS Publications Warehouse

Behn, M.D.; Boettcher, M.S.; Hirth, G.

2007-01-01

We use three-dimensional finite element simulations to investigate the temperature structure beneath oceanic transform faults. We show that using a rheology that incorporates brittle weakening of the lithosphere generates a region of enhanced mantle upwelling and elevated temperatures along the transform; the warmest temperatures and thinnest lithosphere are predicted to be near the center of the transform. Previous studies predicted that the mantle beneath oceanic transform faults is anomalously cold relative to adjacent intraplate regions, with the thickest lithosphere located at the center of the transform. These earlier studies used simplified rheologic laws to simulate the behavior of the lithosphere and underlying asthenosphere. We show that the warmer thermal structure predicted by our calculations is directly attributed to the inclusion of a more realistic brittle rheology. This temperature structure is consistent with a wide range of observations from ridge-transform environments, including the depth of seismicity, geochemical anomalies along adjacent ridge segments, and the tendency for long transforms to break into small intratransform spreading centers during changes in plate motion. ?? 2007 Geological Society of America.

SAR and temperature distribution in the rat head model exposed to electromagnetic field radiation by 900 MHz dipole antenna.

PubMed

Yang, Lei; Hao, Dongmei; Wu, Shuicai; Zhong, Rugang; Zeng, Yanjun

2013-06-01

Rats are often used in the electromagnetic field (EMF) exposure experiments. In the study for the effect of 900 MHz EMF exposure on learning and memory in SD rats, the specific absorption rate (SAR) and the temperature rise in the rat head are numerically evaluated. The digital anatomical model of a SD rat is reconstructed with the MRI images. Numerical method as finite difference time domain has been applied to assess the SAR and the temperature rise during the exposure. Measurements and simulations are conducted to characterize the net radiated power of the dipole to provide a precise dosimetric result. The whole-body average SAR and the localized SAR averaging over 1, 0.5 and 0.05 g mass for different organs/tissues are given. It reveals that during the given exposure experiment setup, no significant temperature rise occurs. The reconstructed anatomical rat model could be used in the EMF simulation and the dosimetric result provides useful information for the biological effect studies.

Evaluation of HCMM data for assessing soil moisture and water table depth. [South Dakota

NASA Technical Reports Server (NTRS)

Moore, D. G.; Heilman, J. L.; Tunheim, J. A.; Westin, F. C.; Heilman, W. E.; Beutler, G. A.; Ness, S. D. (Principal Investigator)

1981-01-01

Soil moisture in the 0-cm to 4-cm layer could be estimated with 1-mm soil temperatures throughout the growing season of a rainfed barley crop in eastern South Dakota. Empirical equations were developed to reduce the effect of canopy cover when radiometrically estimating the soil temperature. Corrective equations were applied to an aircraft simulation of HCMM data for a diversity of crop types and land cover conditions to estimate the soil moisture. The average difference between observed and measured soil moisture was 1.6% of field capacity. Shallow alluvial aquifers were located with HCMM predawn data. After correcting the data for vegetation differences, equations were developed for predicting water table depths within the aquifer. A finite difference code simulating soil moisture and soil temperature shows that soils with different moisture profiles differed in soil temperatures in a well defined functional manner. A significant surface thermal anomaly was found to be associated with shallow water tables.

A viscoplastic study of crack-tip deformation and crack growth in a nickel-based superalloy at elevated temperature

NASA Astrophysics Data System (ADS)

Zhao, L. G.; Tong, J.

Viscoplastic crack-tip deformation behaviour in a nickel-based superalloy at elevated temperature has been studied for both stationary and growing cracks in a compact tension (CT) specimen using the finite element method. The material behaviour was described by a unified viscoplastic constitutive model with non-linear kinematic and isotropic hardening rules, and implemented in the finite element software ABAQUS via a user-defined material subroutine (UMAT). Finite element analyses for stationary cracks showed distinctive strain ratchetting behaviour near the crack tip at selected load ratios, leading to progressive accumulation of tensile strain normal to the crack-growth plane. Results also showed that low frequencies and superimposed hold periods at peak loads significantly enhanced strain accumulation at crack tip. Finite element simulation of crack growth was carried out under a constant Δ K-controlled loading condition, again ratchetting was observed ahead of the crack tip, similar to that for stationary cracks. A crack-growth criterion based on strain accumulation is proposed where a crack is assumed to grow when the accumulated strain ahead of the crack tip reaches a critical value over a characteristic distance. The criterion has been utilized in the prediction of crack-growth rates in a CT specimen at selected loading ranges, frequencies and dwell periods, and the predictions were compared with the experimental results.

Finite Element Analysis of Poroelastic Composites Undergoing Thermal and Gas Diffusion

NASA Technical Reports Server (NTRS)

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

1995-01-01

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

Calculation and validation of heat transfer coefficient for warm forming operations

NASA Astrophysics Data System (ADS)

Omer, Kaab; Butcher, Clifford; Worswick, Michael

2017-10-01

In an effort to reduce the weight of their products, the automotive industry is exploring various hot forming and warm forming technologies. One critical aspect in these technologies is understanding and quantifying the heat transfer between the blank and the tooling. The purpose of the current study is twofold. First, an experimental procedure to obtain the heat transfer coefficient (HTC) as a function of pressure for the purposes of a metal forming simulation is devised. The experimental approach was used in conjunction with finite element models to obtain HTC values as a function of die pressure. The materials that were characterized were AA5182-O and AA7075-T6. Both the heating operation and warm forming deep draw were modelled using the LS-DYNA commercial finite element code. Temperature-time measurements were obtained from both applications. The results of the finite element model showed that the experimentally derived HTC values were able to predict the temperature-time history to within a 2% of the measured response. It is intended that the HTC values presented herein can be used in warm forming models in order to accurately capture the heat transfer characteristics of the operation.

Accuracy of buffered-force QM/MM simulations of silica

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

Peguiron, Anke; Moras, Gianpietro; Colombi Ciacchi, Lucio

2015-02-14

We report comparisons between energy-based quantum mechanics/molecular mechanics (QM/MM) and buffered force-based QM/MM simulations in silica. Local quantities—such as density of states, charges, forces, and geometries—calculated with both QM/MM approaches are compared to the results of full QM simulations. We find the length scale over which forces computed using a finite QM region converge to reference values obtained in full quantum-mechanical calculations is ∼10 Å rather than the ∼5 Å previously reported for covalent materials such as silicon. Electrostatic embedding of the QM region in the surrounding classical point charges gives only a minor contribution to the force convergence. Whilemore » the energy-based approach provides accurate results in geometry optimizations of point defects, we find that the removal of large force errors at the QM/MM boundary provided by the buffered force-based scheme is necessary for accurate constrained geometry optimizations where Si–O bonds are elongated and for finite-temperature molecular dynamics simulations of crack propagation. Moreover, the buffered approach allows for more flexibility, since special-purpose QM/MM coupling terms that link QM and MM atoms are not required and the region that is treated at the QM level can be adaptively redefined during the course of a dynamical simulation.« less

An investigation into the impact of cryogenic environment on mechanical stresses in FRP composites

NASA Astrophysics Data System (ADS)

Fifo, O.; Basu, B.

2015-07-01

Fibre reinforced polymer (FRP) composites are fast becoming a highly utilised engineering material for high performance applications due to their light weight and high strength. Carbon fibre and other high strength fibres are commonly used in design of aerospace structures, wind turbine blades, etc. and potentially for propellant tanks of launch vehicles. For the aforementioned fields of application, stability of the material is essential over a wide range of temperature particularly for structures in hostile environments. Many studies have been conducted, experimentally, over the last decade to investigate the mechanical behaviour of FRP materials at varying subzero temperature. Likewise, tests on aging and cycling effect (room to low temperature) on the mechanical response of FRP have been reported. However, a relatively lesser focused area has been the mechanical behaviour of FRP composites under cryogenic environment. This article reports a finite element method of investigating the changes in the mechanical characteristics of an FRP material when temperature based analysis falls below zero. The simulated tests are carried out using a finite element package with close material properties used in the cited literatures. Tensile test was conducted and the results indicate that the mechanical responses agree with those reported in the literature sited.

Stochastic density functional theory at finite temperatures

NASA Astrophysics Data System (ADS)

Cytter, Yael; Rabani, Eran; Neuhauser, Daniel; Baer, Roi

2018-03-01

Simulations in the warm dense matter regime using finite temperature Kohn-Sham density functional theory (FT-KS-DFT), while frequently used, are computationally expensive due to the partial occupation of a very large number of high-energy KS eigenstates which are obtained from subspace diagonalization. We have developed a stochastic method for applying FT-KS-DFT, that overcomes the bottleneck of calculating the occupied KS orbitals by directly obtaining the density from the KS Hamiltonian. The proposed algorithm scales as O (" close=")N3T3)">N T-1 and is compared with the high-temperature limit scaling O

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