Molecular dynamics simulations of AP/HMX composite with a modified force field.

PubMed

Zhu, Wei; Wang, Xijun; Xiao, Jijun; Zhu, Weihua; Sun, Huai; Xiao, Heming

2009-08-15

An all-atom force field for ammonium perchlorate (AP) is developed with the framework of pcff force field. The structural parameters of AP obtained with the modified force field are in good agreement with experimental values. Molecular dynamics (MD) simulations have been performed to investigate AP/HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) composite at different temperatures. The binding energies, thermal expansion coefficient, and the trigger bond lengths of HMX in the AP/HMX composite have been obtained. The binding energies of the system increase slightly with temperature increasing, peak at 245K, and then gradually decrease. The volume thermal expansion coefficient of the AP/HMX composite has been derived from the volume variation with temperature. As the temperature rises, the maximal lengths of the trigger bond N-NO(2) of HMX increase gradually. The simulated results indicate that the maximal length of trigger bond can be used as a criterion for judging the sensitivity of energetic composite.

Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field

PubMed Central

Shen, Hujun; Czaplewski, Cezary; Liwo, Adam; Scheraga, Harold A.

2009-01-01

The kinetic-trapping problem in simulating protein folding can be overcome by using a Replica Exchange Method (REM). However, in implementing REM in molecular dynamics simulations, synchronization between processors on parallel computers is required, and communication between processors limits its ability to sample conformational space in a complex system efficiently. To minimize communication between processors during the simulation, a Serial Replica Exchange Method (SREM) has been proposed recently by Hagan et al. (J. Phys. Chem. B 2007, 111, 1416–1423). Here, we report the implementation of this new SREM algorithm with our physics-based united-residue (UNRES) force field. The method has been tested on the protein 1E0L with a temperature-independent UNRES force field and on terminally blocked deca-alanine (Ala10) and 1GAB with the recently introduced temperature-dependent UNRES force field. With the temperature-independent force field, SREM reproduces the results of REM but is more efficient in terms of wall-clock time and scales better on distributed-memory machines. However, exact application of SREM to the temperature-dependent UNRES algorithm requires the determination of a four-dimensional distribution of UNRES energy components instead of a one-dimensional energy distribution for each temperature, which is prohibitively expensive. Hence, we assumed that the temperature dependence of the force field can be ignored for neighboring temperatures. This version of SREM worked for Ala10 which is a simple system but failed to reproduce the thermodynamic results as well as regular REM on the more complex 1GAB protein. Hence, SREM can be applied to the temperature-independent but not to the temperature-dependent UNRES force field. PMID:20011673

Influence of Assimilation of Subsurface Temperature Measurements on Simulations of Equatorial Undercurrent and South Equatorial Current Along the Pacific Equator

NASA Technical Reports Server (NTRS)

Halpern, David; Leetmaan, Ants; Reynolds, Richard W.; Ji, Ming

1997-01-01

Equatorial Pacific current and temperature fields were simulated with and without assimilation of subsurface temperature measurements for April 1992 - March 1995, and compared with moored bouy and research vessel current measurements.

EFFECTS OF ELECTROOSMOSIS ON SOIL TEMPERATURE AND HYDRAULIC HEAD: II. NUMERICAL SIMULATION

EPA Science Inventory

A numerical model to simulate the distributions of voltage, soil temperature, and hydraulic head during the field test of electroosmosis was developed. The two-dimensional governing equations for the distributions of voltage, soil temperature, and hydraulic head within a cylindri...

High-temperature deformation field measurement by combining transient aerodynamic heating simulation system and reliability-guided digital image correlation

NASA Astrophysics Data System (ADS)

Pan, Bing; Wu, Dafang; Xia, Yong

2010-09-01

To determine the full-field high-temperature thermal deformation of the structural materials used in high-speed aerospace flight vehicles, a novel non-contact high-temperature deformation measurement system is established by combining transient aerodynamic heating simulation device with the reliability-guided digital image correlation (RG-DIC). The test planar sample with size varying from several mm 2 to several hundreds mm 2 can be heated from room temperature to 1100 °C rapidly and accurately using the infrared radiator of the transient aerodynamic heating simulation system. The digital images of the test sample surface at various temperatures are recorded using an ordinary optical imaging system. To cope with the possible local decorrelated regions caused by black-body radiation within the deformed images at the temperatures over 450 °C, the RG-DIC technique is used to extract full-field in-plane thermal deformation from the recorded images. In validation test, the thermal deformation fields and the values of coefficient of thermal expansion (CTEs) of a chromiumnickel austenite stainless steel sample from room temperature to 550 °C is measured and compared with the well-established handbook value, confirming the effectiveness and accuracy of the proposed technique. The experimental results reveal that the present system using an ordinary optical imaging system, is able to accurately measure full-field thermal deformation of metals and alloys at temperatures not exceeding 600 °C.

Microsecond simulations of the folding/unfolding thermodynamics of the Trp-cage mini protein

PubMed Central

Day, Ryan; Paschek, Dietmar; Garcia, Angel E.

2012-01-01

We study the unbiased folding/unfolding thermodynamics of the Trp-cage miniprotein using detailed molecular dynamics simulations of an all-atom model of the protein in explicit solvent, using the Amberff99SB force field. Replica-exchange molecular dynamics (REMD) simulations are used to sample the protein ensembles over a broad range of temperatures covering the folded and unfolded states, and at two densities. The obtained ensembles are shown to reach equilibrium in the 1 μs per replica timescale. The total simulation time employed in the calculations exceeds 100 μs. Ensemble averages of the fraction folded, pressure, and energy differences between the folded and unfolded states as a function of temperature are used to model the free energy of the folding transition, ΔG(P,T), over the whole region of temperature and pressures sampled in the simulations. The ΔG(P,T) diagram describes an ellipse over the range of temperatures and pressures sampled, predicting that the system can undergo pressure induced unfolding and cold denaturation at low temperatures and high pressures, and unfolding at low pressures and high temperatures. The calculated free energy function exhibits remarkably good agreement with the experimental folding transition temperature (Tf = 321 K), free energy and specific heat changes. However, changes in enthalpy and entropy are significantly different than the experimental values. We speculate that these differences may be due to the simplicity of the semi-empirical force field used in the simulations and that more elaborate force fields may be required to describe appropriately the thermodynamics of proteins. PMID:20408169

Effect of neutral gas heating in argon radio frequency inductively coupled plasma

NASA Astrophysics Data System (ADS)

Chin, O. H.; Jayapalan, K. K.; Wong, C. S.

2014-08-01

Heating of neutral gas in inductively coupled plasma (ICP) is known to result in neutral gas depletion. In this work, this effect is considered in the simulation of the magnetic field distribution of a 13.56 MHz planar coil ICP. Measured electron temperatures and densities at argon pressures of 0.03, 0.07 and 0.2 mbar were used in the simulation whilst neutral gas temperatures were heuristically fitted. The simulated results showed reasonable agreement with the measured magnetic field profile.

Temperature specification in atomistic molecular dynamics and its impact on simulation efficacy

NASA Astrophysics Data System (ADS)

Ocaya, R. O.; Terblans, J. J.

2017-10-01

Temperature is a vital thermodynamical function for physical systems. Knowledge of system temperature permits assessment of system ergodicity, entropy, system state and stability. Rapid theoretical and computational developments in the fields of condensed matter physics, chemistry, material science, molecular biology, nanotechnology and others necessitate clarity in the temperature specification. Temperature-based materials simulations, both standalone and distributed computing, are projected to grow in prominence over diverse research fields. In this article we discuss the apparent variability of temperature modeling formalisms used currently in atomistic molecular dynamics simulations, with respect to system energetics,dynamics and structural evolution. Commercial simulation programs, which by nature are heuristic, do not openly discuss this fundamental question. We address temperature specification in the context of atomistic molecular dynamics. We define a thermostat at 400K relative to a heat bath at 300K firstly using a modified ab-initio Newtonian method, and secondly using a Monte-Carlo method. The thermostatic vacancy formation and cohesion energies, equilibrium lattice constant for FCC copper is then calculated. Finally we compare and contrast the results.

Using nudging to improve global-regional dynamic consistency in limited-area climate modeling: What should we nudge?

NASA Astrophysics Data System (ADS)

Omrani, Hiba; Drobinski, Philippe; Dubos, Thomas

2015-03-01

Regional climate modelling sometimes requires that the regional model be nudged towards the large-scale driving data to avoid the development of inconsistencies between them. These inconsistencies are known to produce large surface temperature and rainfall artefacts. Therefore, it is essential to maintain the synoptic circulation within the simulation domain consistent with the synoptic circulation at the domain boundaries. Nudging techniques, initially developed for data assimilation purposes, are increasingly used in regional climate modeling and offer a workaround to this issue. In this context, several questions on the "optimal" use of nudging are still open. In this study we focus on a specific question which is: What variable should we nudge? in order to maintain the consistencies between the regional model and the driving fields as much as possible. For that, a "Big Brother Experiment", where a reference atmospheric state is known, is conducted using the weather research and forecasting (WRF) model over the Euro-Mediterranean region. A set of 22 3-month simulations is performed with different sets of nudged variables and nudging options (no nudging, indiscriminate nudging, spectral nudging) for summer and winter. The results show that nudging clearly improves the model capacity to reproduce the reference fields. However the skill scores depend on the set of variables used to nudge the regional climate simulations. Nudging the tropospheric horizontal wind is by far the key variable to nudge to simulate correctly surface temperature and wind, and rainfall. To a lesser extent, nudging tropospheric temperature also contributes to significantly improve the simulations. Indeed, nudging tropospheric wind or temperature directly impacts the simulation of the tropospheric geopotential height and thus the synoptic scale atmospheric circulation. Nudging moisture improves the precipitation but the impact on the other fields (wind and temperature) is not significant. As an immediate consequence, nudging tropospheric wind, temperature and moisture in WRF gives by far the best results with respect to the Big-Brother simulation. However, we noticed that a residual bias of the geopotential height persists due to a negative surface pressure anomaly which suggests that surface pressure is the missing quantity to nudge. Nudging the geopotential has no discernible effect. Finally, it should be noted that the proposed strategy ensures a dynamical consistency between the driving field and the simulated small-scale field but it does not ensure the best "observed" fine scale field because of the possible impact of incorrect driving large-scale field.

An Improved FFR Design with a Ventilation Fan: CFD Simulation and Validation.

PubMed

Zhang, Xiaotie; Li, Hui; Shen, Shengnan; Rao, Yu; Chen, Feng

2016-01-01

This article presents an improved Filtering Facepiece Respirator (FFR) designed to increase the comfort of wearers during low-moderate work. The improved FFR aims to lower the deadspace temperature and CO2 level by an active ventilation fan. The reversing modeling is used to build the 3D geometric model of this FFR; the Computational Fluid Dynamics (CFD) simulation is then introduced to investigate the flow field. Based on the simulation result, the ventilation fan of the improved FFR can fit the flow field well when placed in the proper blowing orientation; streamlines from this fan show a cup-shape distribution and are perfectly matched to the shape of the FFR and human face when the fan blowing inward. In the deadspace of the improved FFR, the CO2 volume fraction is controlled by the optimized flow field. In addition, an experimental prototype of the improved FFR has been tested to validate the simulation. A wireless temperature sensor is used to detect the temperature variation inside the prototype FFR, deadspace temperature is lowered by 2 K compared to the normal FFR without a fan. An infrared camera (IRC) method is used to elucidate the temperature distribution on the prototype FFR's outside surface and the wearer's face, surface temperature is lowered notably. Both inside and outside temperature results from the simulation are in agreement with experimental results. Therefore, adding an inward-blowing fan on the outer surface of an N95 FFR is a feasible approach to reducing the deadspace CO2 concentration and improve temperature comfort.

Direct writing of room temperature and zero field skyrmion lattices by a scanning local magnetic field

NASA Astrophysics Data System (ADS)

Zhang, Senfu; Zhang, Junwei; Zhang, Qiang; Barton, Craig; Neu, Volker; Zhao, Yuelei; Hou, Zhipeng; Wen, Yan; Gong, Chen; Kazakova, Olga; Wang, Wenhong; Peng, Yong; Garanin, Dmitry A.; Chudnovsky, Eugene M.; Zhang, Xixiang

2018-03-01

Magnetic skyrmions are topologically protected nanoscale spin textures exhibiting fascinating physical behaviors. Recent observations of room temperature skyrmions in sputtered multilayer films are an important step towards their use in ultra-low power devices. Such practical applications prefer skyrmions to be stable at zero magnetic fields and room temperature. Here, we report the creation of skyrmion lattices in Pt/Co/Ta multilayers by a scanning local field using magnetic force microscopy tips. We also show that those newly created skyrmion lattices are stable at both room temperature and zero fields. Lorentz transmission electron microscopy measurements reveal that the skyrmions in our films are of Néel-type. To gain a deeper understanding of the mechanism behind the creation of a skyrmion lattice by the scanning of local fields, we perform micromagnetic simulations and find the experimental results to be in agreement with our simulation data. This study opens another avenue for the creation of skyrmion lattices in thin films.

Fiber Bragg grating temperature sensors in a 6.5-MW generator exciter bridge and the development and simulation of its thermal model.

PubMed

de Morais Sousa, Kleiton; Probst, Werner; Bortolotti, Fernando; Martelli, Cicero; da Silva, Jean Carlos Cardozo

2014-09-05

This work reports the thermal modeling and characterization of a thyristor. The thyristor is used in a 6.5-MW generator excitation bridge. Temperature measurements are performed using fiber Bragg grating (FBG) sensors. These sensors have the benefits of being totally passive and immune to electromagnetic interference and also multiplexed in a single fiber. The thyristor thermal model consists of a second order equivalent electric circuit, and its power losses lead to an increase in temperature, while the losses are calculated on the basis of the excitation current in the generator. Six multiplexed FBGs are used to measure temperature and are embedded to avoid the effect of the strain sensitivity. The presented results show a relationship between field current and temperature oscillation and prove that this current can be used to determine the thermal model of a thyristor. The thermal model simulation presents an error of 1.5 °C, while the FBG used allows for the determination of the thermal behavior and the field current dependence. Since the temperature is a function of the field current, the corresponding simulation can be used to estimate the temperature in the thyristors.

Fiber Bragg Grating Temperature Sensors in a 6.5-MW Generator Exciter Bridge and the Development and Simulation of Its Thermal Model

PubMed Central

de Morais Sousa, Kleiton; Probst, Werner; Bortolotti, Fernando; Martelli, Cicero; da Silva, Jean Carlos Cardozo

2014-01-01

This work reports the thermal modeling and characterization of a thyristor. The thyristor is used in a 6.5-MW generator excitation bridge. Temperature measurements are performed using fiber Bragg grating (FBG) sensors. These sensors have the benefits of being totally passive and immune to electromagnetic interference and also multiplexed in a single fiber. The thyristor thermal model consists of a second order equivalent electric circuit, and its power losses lead to an increase in temperature, while the losses are calculated on the basis of the excitation current in the generator. Six multiplexed FBGs are used to measure temperature and are embedded to avoid the effect of the strain sensitivity. The presented results show a relationship between field current and temperature oscillation and prove that this current can be used to determine the thermal model of a thyristor. The thermal model simulation presents an error of 1.5 °C, while the FBG used allows for the determination of the thermal behavior and the field current dependence. Since the temperature is a function of the field current, the corresponding simulation can be used to estimate the temperature in the thyristors. PMID:25198007

Soil warming response: field experiments to Earth system models

NASA Astrophysics Data System (ADS)

Todd-Brown, K. E.; Bradford, M.; Wieder, W. R.; Crowther, T. W.

2017-12-01

The soil carbon response to climate change is extremely uncertain at the global scale, in part because of the uncertainty in the magnitude of the temperature response. To address this uncertainty we collected data from 48 soil warming manipulations studies and examined the temperature response using two different methods. First, we constructed a mixed effects model and extrapolated the effect of soil warming on soil carbon stocks under anticipated shifts in surface temperature during the 21st century. We saw significant vulnerability of soil carbon stocks, especially in high carbon soils. To place this effect in the context of anticipated changes in carbon inputs and moisture shifts, we applied a one pool decay model with temperature sensitivities to the field data and imposed a post-hoc correction on the Earth system model simulations to integrate the field with the simulated temperature response. We found that there was a slight elevation in the overall soil carbon losses, but that the field uncertainty of the temperature sensitivity parameter was as large as the variation in the among model soil carbon projections. This implies that model-data integration is unlikely to constrain soil carbon simulations and highlights the importance of representing parameter uncertainty in these Earth system models to inform emissions targets.

Evaluation of WRF Model Against Satellite and Field Measurements During ARM March 2000 IOP

NASA Astrophysics Data System (ADS)

Wu, J.; Zhang, M.

2003-12-01

Meso-scale WRF model is employed to simulate the organization of clouds related with the cyclogenesis occurred during March 1-4, 2000 over ARM SGP CART site. Qualitative comparisons of simulated clouds with GOES8 satellite images show that the WRF model can capture the main features of clouds related with the cyclogenesis. The simulated precipitation patterns also match the Radar reflectivity images well. Further evaluation of the simulated features on GCM grid-scale is conducted against ARM field measurements. The evaluation shows that the evolutions of the simulated state fields such as temperature and moisture, the simulated wind fields and the derived large-scale temperature and moisture tendencies closely follow the observed patterns. These results encourages us to use meso-scale WRF model as a tool to verify the performance of GCMs in simulating cloud feedback processes related with the frontal clouds such that we can test and validate the current cloud parameterizations in climate models, and make possible improvements to different components of current cloud parameterizations in GCMs.

A method for increasing the homogeneity of the temperature distribution during magnetic fluid hyperthermia with a Fe-Cr-Nb-B alloy in the presence of blood vessels

NASA Astrophysics Data System (ADS)

Tang, Yundong; Flesch, Rodolfo C. C.; Jin, Tao

2017-06-01

Magnetic hyperthermia ablates tumor cells by absorbing the thermal energy from magnetic nanoparticles (MNPs) under an external alternating magnetic field. The blood vessels (BVs) within tumor region can generally reduce treatment effectiveness due to the cooling effect of blood flow. This paper aims to investigate the cooling effect of BVs on the temperature field of malignant tumor regions using a complex geometric model and numerical simulation. For deriving the model, the Navier-Stokes equation for blood flow is combined with Pennes bio-heat transfer equation for human tissue. The effects on treatment temperature caused by two different BV distributions inside a mammary tumor are analyzed through numerical simulation under different conditions of flow rate considering a Fe-Cr-Nb-B alloy, which has low Curie temperature ranging from 42 °C to 45 °C. Numerical results show that the multi-vessel system has more obvious cooling effects than the single vessel one on the temperature field distribution for hyperthermia. Besides, simulation results show that the temperature field within tumor area can also be influenced by the velocity and diameter of BVs. To minimize the cooling effect, this article proposes a treatment method based on the increase of the thermal energy provided to MNPs associated with the adoption of low Curie temperature particles recently reported in literature. Results demonstrate that this approach noticeably improves the uniformity of the temperature field, and shortens the treatment time in a Fe-Cr-Nb-B system, thus reducing the side effects to the patient.

Effect of External Economic-Field Cycle and Market Temperature on Stock-Price Hysteresis: Monte Carlo Simulation on the Ising Spin Model

NASA Astrophysics Data System (ADS)

Punya Jaroenjittichai, Atchara; Laosiritaworn, Yongyut

2017-09-01

In this work, the stock-price versus economic-field hysteresis was investigated. The Ising spin Hamiltonian was utilized as the level of ‘disagreement’ in describing investors’ behaviour. The Ising spin directions were referred to an investor’s intention to perform his action on trading his stock. The periodic economic variation was also considered via the external economic-field in the Ising model. The stochastic Monte Carlo simulation was performed on Ising spins, where the steady-state excess demand and supply as well as the stock-price were extracted via the magnetization. From the results, the economic-field parameters and market temperature were found to have significant effect on the dynamic magnetization and stock-price behaviour. Specifically, the hysteresis changes from asymmetric to symmetric loops with increasing market temperature and economic-field strength. However, the hysteresis changes from symmetric to asymmetric loops with increasing the economic-field frequency, when either temperature or economic-field strength is large enough, and returns to symmetric shape at very high frequencies. This suggests competitive effects among field and temperature factors on the hysteresis characteristic, implying multi-dimensional complicated non-trivial relationship among inputs-outputs. As is seen, the results reported (over extensive range) can be used as basis/guideline for further analysis/quantifying how economic-field and market-temperature affect the stock-price distribution on the course of economic cycle.

Research on the novel FBG detection system for temperature and strain field distribution

NASA Astrophysics Data System (ADS)

Liu, Zhi-chao; Yang, Jin-hua

2017-10-01

In order to collect the information of temperature and strain field distribution information, the novel FBG detection system was designed. The system applied linear chirped FBG structure for large bandwidth. The structure of novel FBG cover was designed as a linear change in thickness, in order to have a different response at different locations. It can obtain the temperature and strain field distribution information by reflection spectrum simultaneously. The structure of novel FBG cover was designed, and its theoretical function is calculated. Its solution is derived for strain field distribution. By simulation analysis the change trend of temperature and strain field distribution were analyzed in the conditions of different strain strength and action position, the strain field distribution can be resolved. The FOB100 series equipment was used to test the temperature in experiment, and The JSM-A10 series equipment was used to test the strain field distribution in experiment. The average error of experimental results was better than 1.1% for temperature, and the average error of experimental results was better than 1.3% for strain. There were individual errors when the strain was small in test data. It is feasibility by theoretical analysis, simulation calculation and experiment, and it is very suitable for application practice.

The combustion of different air distribution of foursquare tangential circle boiler by numerical simulation

NASA Astrophysics Data System (ADS)

Guo, Yue; Du, Lei; Jiang, Long; Li, Qing; Zhao, Zhenning

2017-01-01

In this paper, the combustion and NOx emission characteristics of a 300 MW tangential boiler are simulated, we obtain the flue gas velocity field in the hearth, component concentration distribution of temperature field and combustion products, and the speed, temperature, concentration of oxygen and NOx emissions compared with the test results in the waisting air distribution conditions, found the simulation values coincide well with the test value, to verify the rationality of the model. At the same time, the flow field in the furnace, the combustion and the influence of NOx emission characteristics are simulated by different conditions, including compared with primary zone secondary waisting air distribution, uniform air distribution and pagodas go down air distribution, the results show that, waisting air distribution is useful to reduce NOx emissions.

[The design of heat dissipation of the field low temperature box for storage and transportation].

PubMed

Wei, Jiancang; Suin, Jianjun; Wu, Jian

2013-02-01

Because of the compact structure of the field low temperature box for storage and transportation, which is due to the same small space where the compressor, the condenser, the control circuit, the battery and the power supply device are all placed in, the design for heat dissipation and ventilation is of critical importance for the stability and reliability of the box. Several design schemes of the heat dissipation design of the box were simulated using the FLOEFD hot fluid analysis software in this study. Different distributions of the temperature field in every design scheme were constructed intimately in the present study. It is well concluded that according to the result of the simulation analysis, the optimal heat dissipation design is decent for the field low temperature box for storage and transportation, and the box can operate smoothly for a long time using the results of the design.

Sensitivity of Force Fields on Mechanical Properties of Metals Predicted by Atomistic Simulations

NASA Astrophysics Data System (ADS)

Rassoulinejad-Mousavi, Seyed Moein; Zhang, Yuwen

Increasing number of micro/nanoscale studies for scientific and engineering applications, leads to huge deployment of atomistic simulations such as molecular dynamics and Monte-Carlo simulation. Many complains from users in the simulation community arises for obtaining wrong results notwithstanding of correct simulation procedure and conditions. Improper choice of force field, known as interatomic potential is the likely causes. For the sake of users' assurance, convenience and time saving, several interatomic potentials are evaluated by molecular dynamics. Elastic properties of multiple FCC and BCC pure metallic species are obtained by LAMMPS, using different interatomic potentials designed for pure species and their alloys at different temperatures. The potentials created based on the Embedded Atom Method (EAM), Modified EAM (MEAM) and ReaX force fields, adopted from available open databases. Independent elastic stiffness constants of cubic single crystals for different metals are obtained. The results are compared with the experimental ones available in the literature and deviations for each force field are provided at each temperature. Using current work, users of these force fields can easily judge on the one they are going to designate for their problem.

Electrocaloric effects in the lead-free Ba (Zr ,Ti )O3 relaxor ferroelectric from atomistic simulations

NASA Astrophysics Data System (ADS)

Jiang, Zhijun; Prokhorenko, Sergei; Prosandeev, Sergey; Nahas, Y.; Wang, D.; Íñiguez, Jorge; Defay, E.; Bellaiche, L.

2017-07-01

Atomistic effective Hamiltonian simulations are used to investigate electrocaloric (EC) effects in the lead-free Ba (Zr0.5Ti0.5)O3 (BZT) relaxor ferroelectric. We find that the EC coefficient varies nonmonotonically with the field at any temperature, presenting a maximum that can be traced back to the behavior of BZT's polar nanoregions. We also introduce a simple Landau-based model that reproduces the EC behavior of BZT as a function of field and temperature, and which is directly applicable to other compounds. Finally, we confirm that, for low temperatures (i.e., in nonergodic conditions), the usual indirect approach to measure the EC response provides an estimate that differs quantitatively from a direct evaluation of the field-induced temperature change.

Inferring Lower Boundary Driving Conditions Using Vector Magnetic Field Observations

NASA Technical Reports Server (NTRS)

Schuck, Peter W.; Linton, Mark; Leake, James; MacNeice, Peter; Allred, Joel

2012-01-01

Low-beta coronal MHD simulations of realistic CME events require the detailed specification of the magnetic fields, velocities, densities, temperatures, etc., in the low corona. Presently, the most accurate estimates of solar vector magnetic fields are made in the high-beta photosphere. Several techniques have been developed that provide accurate estimates of the associated photospheric plasma velocities such as the Differential Affine Velocity Estimator for Vector Magnetograms and the Poloidal/Toroidal Decomposition. Nominally, these velocities are consistent with the evolution of the radial magnetic field. To evolve the tangential magnetic field radial gradients must be specified. In addition to estimating the photospheric vector magnetic and velocity fields, a further challenge involves incorporating these fields into an MHD simulation. The simulation boundary must be driven, consistent with the numerical boundary equations, with the goal of accurately reproducing the observed magnetic fields and estimated velocities at some height within the simulation. Even if this goal is achieved, many unanswered questions remain. How can the photospheric magnetic fields and velocities be propagated to the low corona through the transition region? At what cadence must we observe the photosphere to realistically simulate the corona? How do we model the magnetic fields and plasma velocities in the quiet Sun? How sensitive are the solutions to other unknowns that must be specified, such as the global solar magnetic field, and the photospheric temperature and density?

Cumulative effects of heat exposure and storage conditions of Oxytocin-in-Uniject in rural Ghana: implications for scale up

PubMed Central

Mullany, Luke C; Newton, Sam; Afari-Asiedu, Samuel; Adiibokah, Edward; Agyemang, Charlotte T; Cofie, Patience; Brooke, Steve; Owusu-Agyei, Seth; Stanton, Cynthia K

2014-01-01

ABSTRACT Objective: Postpartum hemorrhage can be reduced substantially in home deliveries attended by community-based workers by using Oxytocin-in-Uniject (OIU) devices affixed with temperature-time indicators. We characterized the distribution of time to discard of these devices when stored under normal field conditions in Ghana. Methods: Two drug storage simulation studies were conducted in rural Ghana in 2011 and 2012. Devices were transported under refrigeration from manufacture (Argentina) to storage at the study site. Twenty-three field workers each stored at home (unrefrigerated) 25 OIU devices and monitored them daily to record: (1) time to transition from usable to unusable, and (2) continuous digital ambient temperature to determine heat exposure over the simulation period. Time to discard was estimated and compared with mean kinetic temperature exposure of the devices during the shipment and storage phases and with characteristics of the storage locations using Weibull regression models. We used the time to discard distributions in a Monte Carlo simulation to estimate wastage rates in a hypothetical program setting. Results: Time for shipment and transfer to long-term refrigerated storage and mean kinetic temperature during the shipment phase was 8.6 days/10.3°C and 13.4 days/12.1°C, for the first and second simulation studies, respectively. Median (range) time to discard when stored under field conditions (unrefrigerated) was 43 (6 to 59) days and 33 (14 to 50) days, respectively. Mean time to discard was 10.0 days shorter in the second simulation, during which mean kinetic temperature exposure was 3.9°C higher. Simulating a monthly distribution system and assuming typical usage, predicted wastage of product was less than 10%. Conclusion: The time to discard of devices was highly sensitive to small changes in temperature exposure. Under field conditions typical in rural Ghana, OIU packages will have a half-life of approximately 30 to 40 days based on the temperature monitor used during the study. Program managers will need to carefully consider variations in both ambient temperature and rate of use to allocate the appropriate supply level that will maximize coverage and minimize stock loss. PMID:25276588

Cumulative effects of heat exposure and storage conditions of Oxytocin-in-Uniject in rural Ghana: implications for scale up.

PubMed

Mullany, Luke C; Newton, Sam; Afari-Asiedu, Samuel; Adiibokah, Edward; Agyemang, Charlotte T; Cofie, Patience; Brooke, Steve; Owusu-Agyei, Seth; Stanton, Cynthia K

2014-08-01

Postpartum hemorrhage can be reduced substantially in home deliveries attended by community-based workers by using Oxytocin-in-Uniject (OIU) devices affixed with temperature-time indicators. We characterized the distribution of time to discard of these devices when stored under normal field conditions in Ghana. Two drug storage simulation studies were conducted in rural Ghana in 2011 and 2012. Devices were transported under refrigeration from manufacture (Argentina) to storage at the study site. Twenty-three field workers each stored at home (unrefrigerated) 25 OIU devices and monitored them daily to record: (1) time to transition from usable to unusable, and (2) continuous digital ambient temperature to determine heat exposure over the simulation period. Time to discard was estimated and compared with mean kinetic temperature exposure of the devices during the shipment and storage phases and with characteristics of the storage locations using Weibull regression models. We used the time to discard distributions in a Monte Carlo simulation to estimate wastage rates in a hypothetical program setting. Time for shipment and transfer to long-term refrigerated storage and mean kinetic temperature during the shipment phase was 8.6 days/10.3°C and 13.4 days/12.1°C, for the first and second simulation studies, respectively. Median (range) time to discard when stored under field conditions (unrefrigerated) was 43 (6 to 59) days and 33 (14 to 50) days, respectively. Mean time to discard was 10.0 days shorter in the second simulation, during which mean kinetic temperature exposure was 3.9°C higher. Simulating a monthly distribution system and assuming typical usage, predicted wastage of product was less than 10%. The time to discard of devices was highly sensitive to small changes in temperature exposure. Under field conditions typical in rural Ghana, OIU packages will have a half-life of approximately 30 to 40 days based on the temperature monitor used during the study. Program managers will need to carefully consider variations in both ambient temperature and rate of use to allocate the appropriate supply level that will maximize coverage and minimize stock loss.

Thermal gradients for the stabilization of a single domain wall in magnetic nanowires.

PubMed

Mejía-López, J; Velásquez, E A; Mazo-Zuluaga, J; Altbir, D

2018-08-24

By means of Monte Carlo simulations we studied field driven nucleation and propagation of transverse domain walls (DWs) in magnetic nanowires subjected to temperature gradients. Simulations identified the existence of critical thermal gradients that allow the existence of reversal processes driven by a single DW. Critical thermal gradients depend on external parameters such as temperature, magnetic field and wire length, and can be experimentally obtained through the measurement of the mean velocity of the magnetization reversal as a function of the temperature gradient. Our results show that temperature gradients provide a high degree of control over DW propagation, which is of great importance for technological applications.

Investigation on the hot melting temperature field simulation of HDPE water supply pipeline in gymnasium pool

NASA Astrophysics Data System (ADS)

Cai, Zhiqiang; Dai, Hongbin; Fu, Xibin

2018-06-01

In view of the special needs of the water supply and drainage system of swimming pool in gymnasium, the correlation of high density polyethylene (HDPE) pipe and the temperature field distribution during welding was investigated. It showed that the temperature field distribution has significant influence on the quality of welding. Moreover, the mechanical properties of the welded joint were analyzed by the bending test of the weld joint, and the micro-structure of the welded joint was evaluated by scanning electron microscope (SEM). The one-dimensional unsteady heat transfer model of polyethylene pipe welding joints was established by MARC. The temperature field distribution during welding process was simulated, and the temperature field changes during welding were also detected and compared by the thermo-couple temperature automatic acquisition system. Results indicated that the temperature of the end surface of the pipe does not reach the maximum value, when it is at the end of welding heating. Instead, it reaches the maximum value at 300 sand latent heat occurs during the welding process. It concludes that the weld quality is the highest when the welding pressure is 0.2 MPa, and the heating temperature of HDPE heat fusion welding is in the range of 210 °C-230 °C.

Misfit strain-temperature phase diagrams and domain stability of asymmetric ferroelectric capacitors: Thermodynamic calculation and phase-field simulation

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

Chen, W. J.; Zheng, Yue, E-mail: zhengy35@mail.sysu.edu.cn; Wu, C. M.

Thermodynamic calculation and phase-field simulation have been conducted to investigate the misfit strain-temperature phase diagrams, dielectric property, and domain stability of asymmetric ferroelectric capacitors (FCs), with considering the effects of dissimilar screening properties and work function steps at the two interfaces. The distinct features of asymmetric FCs from their symmetric counterparts have been revealed and discussed. Polar states with nonzero out-of-plane polarization in parallel with the built-in field are found preferential to form in asymmetric FCs. Meanwhile, the built-in field breaks the degeneracy of states with out-of-plane polarization in anti-directions. This leads to the necessity of redefining phases according tomore » the bistability of out-of-plane polarization. Moreover, the phase stability as well as the dielectric behavior can be significantly controlled by the properties of electrodes, misfit strain, and temperature. The phase-field simulation result also shows that polydomain instability would happen in asymmetric FCs as the equivalence of domain stability in anti-directions is destroyed.« less

The role of large scale motions on passive scalar transport

NASA Astrophysics Data System (ADS)

Dharmarathne, Suranga; Araya, Guillermo; Tutkun, Murat; Leonardi, Stefano; Castillo, Luciano

2014-11-01

We study direct numerical simulation (DNS) of turbulent channel flow at Reτ = 394 to investigate effect of large scale motions on fluctuating temperature field which forms a passive scalar field. Statistical description of the large scale features of the turbulent channel flow is obtained using two-point correlations of velocity components. Two-point correlations of fluctuating temperature field is also examined in order to identify possible similarities between velocity and temperature fields. The two-point cross-correlations betwen the velocity and temperature fluctuations are further analyzed to establish connections between these two fields. In addition, we use proper orhtogonal decompotion (POD) to extract most dominant modes of the fields and discuss the coupling of large scale features of turbulence and the temperature field.

Study on the temperature field of large-sized sapphire single crystal furnace

NASA Astrophysics Data System (ADS)

Zhai, J. P.; Jiang, J. W.; Liu, K. G.; Peng, X. B.; Jian, D. L.; Li, I. L.

2018-01-01

In this paper, the temperature field of large-sized (120kg, 200kg and 300kg grade) sapphire single crystal furnace was simulated. By keeping the crucible diameter ratio and the insulation system unchanged, the power consumption, axial and radial temperature gradient, solid-liquid surface shape, stress distribution and melt flow were studied. The simulation results showed that with the increase of the single crystal furnace size, the power consumption increased, the temperature field insulation effect became worse, the growth stress value increased and the stress concentration phenomenon occurred. To solve these problems, the middle and bottom insulation system should be enhanced during designing the large-sized sapphire single crystal furnace. The appropriate radial and axial temperature gradient was favorable to reduce the crystal stress and prevent the occurrence of cracking. Expanding the interface between the seed and crystal was propitious to avoid the stress accumulation phenomenon.

The Simulation of Temperature Field Based on 3D Modeling and Its Comparison versus Measured Temperature Distribution of Daqing Oilfield, NE China

NASA Astrophysics Data System (ADS)

Shi, Y.; Jiang, G.; Hu, S.

2017-12-01

Daqing, as the largest oil field of China with more than 50 years of exploration and production history for oil and gas, its geothermal energy utilization was started in 2000, with a main focus on district heating and direct use. In our ongoing study, data from multiple sources are collected, including BHT, DST, steady state temperature measurements in deep wells and thermophysical properties of formations. Based on these measurements, an elaborate investigation of the temperature field of Daqing Oilfield is made. Moreover, through exploration for oil and gas, subsurface geometry, depth, thickness and properties of the stratigraphic layers have been extensively delineated by well logs and seismic profiles. A 3D model of the study area is developed incorporating the information of structure, stratigraphy, basal heat flow, and petrophysical and thermophysical properties of strata. Based on the model, a simulation of the temperature field of Daqing Oilfield is generated. A purely conductive regime is presumed, as demonstrated by measured temperature log in deep wells. Wells W1, W2 and SK2 are used as key wells for model calibration. Among them, SK2, as part of the International Continental Deep Drilling Program, has a designed depth of 6400m, the steady state temperature measurement in the borehole has reached the depth of 4000m. The results of temperature distribution generated from simulation and investigation are compared, in order to evaluate the potential of applying the method to other sedimentary basins with limited borehole temperature measurements but available structural, stratigraphic and thermal regime information.

Images of turbulent, absorbing-emitting atmospheres and their application to windshear detection

NASA Astrophysics Data System (ADS)

Watt, David W.; Philbrick, Daniel A.

1991-03-01

The simulation of images generated by thermally-radiating, optically- thick turbulent media are discussed and the time-dependent evolution of these images is modeled. This characteristics of these images are particularly applicable to the atmosphere in the 13-15 mm band and their behavior may have application in detecting aviation hazards. The image is generated by volumetric thermal emission by atmospheric constituents within the field-of-view of the detector. The structure of the turbulent temperature field and the attenuating properties of the atmosphere interact with the field-of-view's geometry to produce a localized region which dominates the optical flow of the image. The simulations discussed in this paper model the time-dependent behavior of images generated by atmospheric flows viewed from an airborne platform. The images ar modelled by (1) generating a random field of temperature fluctuations have the proper spatial structure, (2) adding these fluctuation to the baseline temperature field of the atmospheric event, (3) accumulating the image on the detector from radiation emitted in the imaging volume, (4) allowing the individual radiating points within the imaging volume to move with the local velocity, (5) recalculating the thermal field and generating a new image. This approach was used to simulate the images generated by the temperature and velocity fields of a windshear. The simulation generated pais of images separated by a small time interval. These image paris were analyzed by image cross-correlation. The displacement of the cross-correlation peak was used to infer the velocity at the localized region. The localized region was found to depend weakly on the shape of the velocity profile. Prediction of the localized region, the effects of imaging from a moving platform, alternative image analysis schemes, and possible application to aviation hazards are discussed.

Temperature fluctuations in fully-developed turbulent channel flow with heated upper wall

NASA Astrophysics Data System (ADS)

Bahri, Carla; Mueller, Michael; Hultmark, Marcus

2013-11-01

The interactions and scaling differences between the velocity field and temperature field in a wall-bounded turbulent flow are investigated. In particular, a fully developed turbulent channel flow perturbed by a step change in the wall temperature is considered with a focus on the details of the developing thermal boundary layer. For this specific study, temperature acts as a passive scalar, having no dynamical effect on the flow. A combination of experimental investigation and direct numerical simulation (DNS) is presented. Velocity and temperature data are acquired with high accuracy where, the flow is allowed to reach a fully-developed state before encountering a heated upper wall at constant temperature. The experimental data is compared with DNS data where simulations of the same configuration are conducted.

Non-isothermal processes during the drying of bare soil: Model Development and Validation

NASA Astrophysics Data System (ADS)

Sleep, B.; Talebi, A.; O'Carrol, D. M.

2017-12-01

Several coupled liquid water, water vapor, and heat transfer models have been developed either to study non-isothermal processes in the subsurface immediately below the ground surface, or to predict the evaporative flux from the ground surface. Equilibrium phase change between water and gas phases is typically assumed in these models. Recently, a few studies have questioned this assumption and proposed a coupled model considering kinetic phase change. However, none of these models were validated against real field data. In this study, a non-isothermal coupled model incorporating kinetic phase change was developed and examined against the measured data from a green roof test module. The model also incorporated a new surface boundary condition for water vapor transport at the ground surface. The measured field data included soil moisture content and temperature at different depths up to the depth of 15 cm below the ground surface. Lysimeter data were collected to determine the evaporation rates. Short and long wave radiation, wind velocity, air ambient temperature and relative humidity were measured and used as model input. Field data were collected for a period of three months during the warm seasons in south eastern Canada. The model was calibrated using one drying period and then several other drying periods were simulated. In general, the model underestimated the evaporation rates in the early stage of the drying period, however, the cumulative evaporation was in good agreement with the field data. The model predicted the trends in temperature and moisture content at the different depths in the green roof module. The simulated temperature was lower than the measured temperature for most of the simulation time with the maximum difference of 5 ° C. The simulated moisture content changes had the same temporal trend as the lysimeter data for the events simulated.

Biomass, thermal inertia, and radiative freeze occurrence in leafless forests

Treesearch

Brian E. Potter; John C. Zasada

1999-01-01

Using field measurements of air temperature, wind, and relative humidity from a clear-cut site and two wooded sites in northern Wisconsin, we used a radiative transfer model to simulate temperatures on seven calm, clear nights similar to those on which freezes typically occur. Each night was simulated twice for the wooded sites. One simulation ignored the presence of...

Experimental investigations of heat transfer and temperature fields in models simulating fuel assemblies used in the core of a nuclear reactor with a liquid heavy-metal coolant

NASA Astrophysics Data System (ADS)

Belyaev, I. A.; Genin, L. G.; Krylov, S. G.; Novikov, A. O.; Razuvanov, N. G.; Sviridov, V. G.

2015-09-01

The aim of this experimental investigation is to obtain information on the temperature fields and heat transfer coefficients during flow of liquid-metal coolant in models simulating an elementary cell in the core of a liquid heavy metal cooled fast-neutron reactor. Two design versions for spacing fuel rods in the reactor core were considered. In the first version, the fuel rods were spaced apart from one another using helical wire wound on the fuel rod external surface, and in the second version spacer grids were used for the same purpose. The experiments were carried out on the mercury loop available at the Moscow Power Engineering Institute National Research University's Chair of Engineering Thermal Physics. Two experimental sections simulating an elementary cell for each of the fuel rod spacing versions were fabricated. The temperature fields were investigated using a dedicated hinged probe that allows temperature to be measured at any point of the studied channel cross section. The heat-transfer coefficients were determined using the wall temperature values obtained at the moment when the probe thermocouple tail end touched the channel wall. Such method of determining the wall temperature makes it possible to alleviate errors that are unavoidable in case of measuring the wall temperature using thermocouples placed in slots milled in the wall. In carrying out the experiments, an automated system of scientific research was applied, which allows a large body of data to be obtained within a short period of time. The experimental investigations in the first test section were carried out at Re = 8700, and in the second one, at five values of Reynolds number. Information about temperature fields was obtained by statistically processing the array of sampled probe thermocouple indications at 300 points in the experimental channel cross section. Reach material has been obtained for verifying the codes used for calculating velocity and temperature fields in channels with an intricately shaped cross section simulating the flow pass sections for liquid-metal coolants cooling the core of nuclear reactors.

Optimization of temperature field of tobacco heat shrink machine

NASA Astrophysics Data System (ADS)

Yang, Xudong; Yang, Hai; Sun, Dong; Xu, Mingyang

2018-06-01

A company currently shrinking machine in the course of the film shrinkage is not compact, uneven temperature, resulting in poor quality of the shrinkage of the surface film. To solve this problem, the simulation and optimization of the temperature field are performed by using the k-epsilon turbulence model and the MRF model in fluent. The simulation results show that after the mesh screen structure is installed at the suction inlet of the centrifugal fan, the suction resistance of the fan can be increased and the eddy current intensity caused by the high-speed rotation of the fan can be improved, so that the internal temperature continuity of the heat shrinkable machine is Stronger.

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.

Numerical analysis of temperature field in the high speed rotary dry-milling process

NASA Astrophysics Data System (ADS)

Wu, N. X.; Deng, L. J.; Liao, D. H.

2018-01-01

For the effect of the temperature field in the ceramic dry granulation. Based on the Euler-Euler mathematical model, at the same time, made ceramic dry granulation experiment equipment more simplify and established physical model, the temperature of the dry granulation process was simulated with the granulation time. The relationship between the granulation temperature and granulation effect in dry granulation process was analyzed, at the same time, the correctness of numerical simulation was verified by measuring the fluidity index of ceramic bodies. Numerical simulation and experimental results showed that when granulation time was 4min, 5min, 6min, maximum temperature inside the granulation chamber was: 70°C, 85°C, 95°C. And the equilibrium of the temperature in the granulation chamber was weakened, the fluidity index of the billet particles was: 56.4. 89.7. 81.6. Results of the research showed that when granulation time was 5min, the granulation effect was best. When the granulation chamber temperature was more than 85°C, the fluidity index and the effective particles quantity of the billet particles were reduced.

Communication: Multiple atomistic force fields in a single enhanced sampling simulation

NASA Astrophysics Data System (ADS)

Hoang Viet, Man; Derreumaux, Philippe; Nguyen, Phuong H.

2015-07-01

The main concerns of biomolecular dynamics simulations are the convergence of the conformational sampling and the dependence of the results on the force fields. While the first issue can be addressed by employing enhanced sampling techniques such as simulated tempering or replica exchange molecular dynamics, repeating these simulations with different force fields is very time consuming. Here, we propose an automatic method that includes different force fields into a single advanced sampling simulation. Conformational sampling using three all-atom force fields is enhanced by simulated tempering and by formulating the weight parameters of the simulated tempering method in terms of the energy fluctuations, the system is able to perform random walk in both temperature and force field spaces. The method is first demonstrated on a 1D system and then validated by the folding of the 10-residue chignolin peptide in explicit water.

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

Golyatina, R. I.; Maiorov, S. A., E-mail: mayorov-sa@mail.ru

The drift velocities of noble-gas and mercury ions in a constant homogeneous electric field are calculated using Monte Carlo simulations. The ion mobility is analyzed as a function of the field strength and gas temperature. The fitting parameters for calculating the drift velocity by the Frost formula at gas temperatures of 4.2, 77, 300, 1000, and 2000 K are obtained. A general approximate formula for the drift velocity as a function of the reduced field and gas temperature is derived.

Measurement of SAR-induced temperature increase in a phantom and in vivo with comparison to numerical simulation

PubMed Central

Oh, Sukhoon; Ryu, Yeun-Chul; Carluccio, Giuseppe; Sica, Christopher T.; Collins, Christopher M.

2013-01-01

Purpose Compare numerically-simulated and experimentally-measured temperature increase due to Specific energy Absorption Rate (SAR) from radiofrequency fields. Methods Temperature increase induced in both a phantom and in the human forearm when driving an adjacent circular surface coil was mapped using the proton resonance frequency shift technique of Magnetic Resonance (MR) thermography. The phantom and forearm were also modeled from MR image data, and both SAR and temperature change as induced by the same coil were simulated numerically. Results The simulated and measured temperature increase distributions were generally in good agreement for the phantom. The relative distributions for the human forearm were very similar, with the simulations giving maximum temperature increase about 25% higher than measured. Conclusion Although a number of parameters and uncertainties are involved, it should be possible to use numerical simulations to produce reasonably accurate and conservative estimates of temperature distribution to ensure safety in MR imaging. PMID:23804188

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields.

PubMed

Matthews, James F; Beckham, Gregg T; Bergenstråhle-Wohlert, Malin; Brady, John W; Himmel, Michael E; Crowley, Michael F

2012-02-14

Molecular dynamics simulations of cellulose have recently become more prevalent due to increased interest in renewable energy applications, and many atomistic and coarse-grained force fields exist that can be applied to cellulose. However, to date no systematic comparison between carbohydrate force fields has been conducted for this important system. To that end, we present a molecular dynamics simulation study of hydrated, 36-chain cellulose Iβ microfibrils at room temperature with three carbohydrate force fields (CHARMM35, GLYCAM06, and Gromos 45a4) up to the near-microsecond time scale. Our results indicate that each of these simulated microfibrils diverge from the cellulose Iβ crystal structure to varying degrees under the conditions tested. The CHARMM35 and GLYCAM06 force fields eventually result in structures similar to those observed at 500 K with the same force fields, which are consistent with the experimentally observed high-temperature behavior of cellulose I. The third force field, Gromos 45a4, produces behavior significantly different from experiment, from the other two force fields, and from previously reported simulations with this force field using shorter simulation times and constrained periodic boundary conditions. For the GLYCAM06 force field, initial hydrogen-bond conformations and choice of electrostatic scaling factors significantly affect the rate of structural divergence. Our results suggest dramatically different time scales for convergence of properties of interest, which is important in the design of computational studies and comparisons to experimental data. This study highlights that further experimental and theoretical work is required to understand the structure of small diameter cellulose microfibrils typical of plant cellulose.

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.

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.

Influence of spatiotemporally distributed irradiance data input on temperature evolution in parabolic trough solar field simulations

NASA Astrophysics Data System (ADS)

Bubolz, K.; Schenk, H.; Hirsch, T.

2016-05-01

Concentrating solar field operation is affected by shadowing through cloud movement. For line focusing systems the impact of varying irradiance has been studied before by several authors with simulations of relevant thermodynamics assuming spatially homogeneous irradiance or using artificial test signals. While today's simulation capabilities allow more and more a higher spatiotemporal resolution of plant processes there are only few studies on influence of spatially distributed irradiance due to lack of available data. Based on recent work on generating real irradiance maps with high spatial resolution this paper demonstrates their influence on solar field thermodynamics. For a case study an irradiance time series is chosen. One solar field section with several loops and collecting header is modeled for simulation purpose of parabolic trough collectors and oil as heat transfer medium. Assuming homogeneous mass flow distribution among all loops we observe spatially varying temperature characteristics. They are analysed without and with mass flow control and their impact on solar field control design is discussed. Finally, the potential of distributed irradiance data is outlined.

A Molecular Dynamics of Cold Neutral Atoms Captured by Carbon Nanotube Under Electric Field and Thermal Effect as a Selective Atoms Sensor.

PubMed

Santos, Elson C; Neto, Abel F G; Maneschy, Carlos E; Chen, James; Ramalho, Teodorico C; Neto, A M J C

2015-05-01

Here we analyzed several physical behaviors through computational simulation of systems consisting of a zig-zag type carbon nanotube and relaxed cold atoms (Rb, Au, Si and Ar). These atoms were chosen due to their different chemical properties. The atoms individually were relaxed on the outside of the nanotube during the simulations. Each system was found under the influence of a uniform electric field parallel to the carbon nanotube and under the thermal effect of the initial temperature at the simulations. Because of the electric field, the cold atoms orbited the carbon nanotube while increasing the initial temperature allowed the variation of the radius of the orbiting atoms. We calculated the following quantities: kinetic energy, potential energy and total energy and in situ temperature, molar entropy variation and average radius of the orbit of the atoms. Our data suggest that only the action of electric field is enough to generate the attractive potential and this system could be used as a selected atoms sensor.

Numerical simulation on residual stress in Y-slit type cracking test of Q690E

NASA Astrophysics Data System (ADS)

Huang, Wenjian; Lin, Guozhen; Chen, Zhanglan; Chen, Wu

2018-03-01

Numerical simulation on residual stress in Y-slit type cracking test of Q690E is carried out by using ANSYS. First, the dynamic distribution of welding temperature field is calculated; second, the results of the temperature field are converted into corresponding stress by the method of indirect coupling. The testing results show that the longitudinal residual stress of the weld is greater than the transverse residual stress and the peak of transverse residual stress is on the weld groove.

Equivalent of a cartilage tissue for simulations of laser-induced temperature fields

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

Kondyurin, A V; Sviridov, A P

2008-07-31

The thermal and optical properties of polyacrylamide hydrogels and cartilages are studied by the method of IR laser radiometry. The thermal diffusivity, heat capacity, and the effective absorption coefficient at a wavelength of 1.56 {mu}m measured for polyacrylamide gel with 70% water content and the degree of cross-linking 1:9 and for the nasal septum cartilage proved to be close. This allows the use of polyacrylamide hydrogels as equivalents of cartilages in simulations of laser-induced temperature fields. (biophotonics)

An RF phased array applicator designed for hyperthermia breast cancer treatments

PubMed Central

Wu, Liyong; McGough, Robert J; Arabe, Omar Ali; Samulski, Thaddeus V

2007-01-01

An RF phased array applicator has been constructed for hyperthermia treatments in the intact breast. This RF phased array consists of four antennas mounted on a Lexan water tank, and geometric focusing is employed so that each antenna points in the direction of the intended target. The operating frequency for this phased array is 140 MHz. The RF array has been characterized both by electric field measurements in a water tank and by electric field simulations using the finite-element method. The finite-element simulations are performed with HFSS software, where the mesh defined for finite-element calculations includes the geometry of the tank enclosure and four end-loaded dipole antennas. The material properties of the water tank enclosure and the antennas are also included in each simulation. The results of the finite-element simulations are compared to the measured values for this configuration, and the results, which include the effects of amplitude shading and phase shifting, show that the electric field predicted by finite-element simulations is similar to the measured field. Simulations also show that the contributions from standing waves are significant, which is consistent with measurement results. Simulated electric field and bio-heat transfer results are also computed within a simple 3D breast model. Temperature simulations show that, although peak temperatures are generated outside the simulated tumour target, this RF phased array applicator is an effective device for regional hyperthermia in the intact breast. PMID:16357427

Numerical evaluation of lactoperoxidase inactivation during continuous pulsed electric field processing.

PubMed

Buckow, Roman; Semrau, Julius; Sui, Qian; Wan, Jason; Knoerzer, Kai

2012-01-01

A computational fluid dynamics (CFD) model describing the flow, electric field and temperature distribution of a laboratory-scale pulsed electric field (PEF) treatment chamber with co-field electrode configuration was developed. The predicted temperature increase was validated by means of integral temperature studies using thermocouples at the outlet of each flow cell for grape juice and salt solutions. Simulations of PEF treatments revealed intensity peaks of the electric field and laminar flow conditions in the treatment chamber causing local temperature hot spots near the chamber walls. Furthermore, thermal inactivation kinetics of lactoperoxidase (LPO) dissolved in simulated milk ultrafiltrate were determined with a glass capillary method at temperatures ranging from 65 to 80 °C. Temperature dependence of first order inactivation rate constants was accurately described by the Arrhenius equation yielding an activation energy of 597.1 kJ mol(-1). The thermal impact of different PEF processes on LPO activity was estimated by coupling the derived Arrhenius model with the CFD model and the predicted enzyme inactivation was compared to experimental measurements. Results indicated that LPO inactivation during combined PEF/thermal treatments was largely due to thermal effects, but 5-12% enzyme inactivation may be related to other electro-chemical effects occurring during PEF treatments. Copyright © 2012 American Institute of Chemical Engineers (AIChE).

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.

Impact of revised and potential future albedo estimates on CCSM3 simulations of growing-season surface temperature fields for North America

Treesearch

Warren E. Heilman; David Y. Hollinger; Xiuping Li; Xindi Bain; Shiyuan. Zhong

2010-01-01

Recently published albedo research has resulted in improved growing-season albedo estimates for forest and grassland vegetation. The impact of these improved estimates on the ability of climate models to simulate growing-season surface temperature patterns is unknown. We have developed a set of current-climate surface temperature scenarios for North America using the...

Temperature changes associated with radiofrequency exposure near authentic metallic implants in the head phantom--a near field simulation study with 900, 1800 and 2450 MHz dipole.

PubMed

Matikka Virtanen, H; Keshvari, J; Lappalainen, R

2010-10-07

Along with increased use of wireless communication devices operating in the radiofrequency (RF) range, concern has been raised about the related possible health risks. Among other concerns, the interaction of medical implants and RF devices has been studied in order to assure the safety of implant carriers under various exposure conditions. In the RF range, the main established quantitative effect of electromagnetic (EM) fields on biological tissues is heating due to vibrational movements of water molecules. The temperature changes induced in tissues also constitute the basis for the setting of RF exposure limits and recommendations. In this study, temperature changes induced by electromagnetic field enhancements near passive metallic implants have been simulated in the head region. Furthermore, the effect of the implant material on the induced temperature change was evaluated using clinically used metals with the highest and the lowest thermal conductivities. In some cases, remarkable increases in maximum temperatures of tissues (as much as 8 °C) were seen in the near field with 1 W power level whereas at lower power levels significant temperature increases were not observed.

Temperature changes associated with radiofrequency exposure near authentic metallic implants in the head phantom—a near field simulation study with 900, 1800 and 2450 MHz dipole

NASA Astrophysics Data System (ADS)

Matikka (formerly Virtanen, H.; Keshvari, J.; Lappalainen, R.

2010-10-01

Along with increased use of wireless communication devices operating in the radiofrequency (RF) range, concern has been raised about the related possible health risks. Among other concerns, the interaction of medical implants and RF devices has been studied in order to assure the safety of implant carriers under various exposure conditions. In the RF range, the main established quantitative effect of electromagnetic (EM) fields on biological tissues is heating due to vibrational movements of water molecules. The temperature changes induced in tissues also constitute the basis for the setting of RF exposure limits and recommendations. In this study, temperature changes induced by electromagnetic field enhancements near passive metallic implants have been simulated in the head region. Furthermore, the effect of the implant material on the induced temperature change was evaluated using clinically used metals with the highest and the lowest thermal conductivities. In some cases, remarkable increases in maximum temperatures of tissues (as much as 8 °C) were seen in the near field with 1 W power level whereas at lower power levels significant temperature increases were not observed.

Mesoscale Simulation Data for Initializing Fast-Time Wake Transport and Decay Models

NASA Technical Reports Server (NTRS)

Ahmad, Nashat N.; Proctor, Fred H.; Vanvalkenburg, Randal L.; Pruis, Mathew J.; LimonDuparcmeur, Fanny M.

2012-01-01

The fast-time wake transport and decay models require vertical profiles of crosswinds, potential temperature and the eddy dissipation rate as initial conditions. These inputs are normally obtained from various field sensors. In case of data-denied scenarios or operational use, these initial conditions can be provided by mesoscale model simulations. In this study, the vertical profiles of potential temperature from a mesoscale model were used as initial conditions for the fast-time wake models. The mesoscale model simulations were compared against available observations and the wake model predictions were compared with the Lidar measurements from three wake vortex field experiments.

Study of VTOL in ground-effect flow field including temperature effect

NASA Technical Reports Server (NTRS)

Hill, W. G.; Jenkins, R. C.; Kalemaris, S. G.; Siclari, M. J.

1982-01-01

Detailed pressure, temperature, and velocity data were obtained for twin-fan configurations in-ground-effect and flow models to aid in predicting pressures and upwash forces on aircraft surfaces were developed. For the basic experiments, 49.5 mm-diameter jets were used, oriented normal to a simulated round plane, with pressurized, heated air providing a jet. The experimental data consisted of: (1) the effect of jet height and temperature on the ground, model, and upwash pressures, and temperatures, (2) the effect of simulated aircraft surfaces on the isolated flow field, (3) the jet-induced forces on a three-dimensional body with various strakes, (4) the effects of non-uniform coannular jets. For the uniform circular jets, temperature was varied from room temperature (24 C) to 232 C. Jet total pressure was varied between 9,300 Pascals and 31,500 Pascals. For the coannular jets, intended to represent turbofan engines, fan temperature was maintained at room temperature while core temperature was varied from room temperature to 437 C. Results are presented.

Temperature- and field-dependent characterization of a conductor on round core cable

NASA Astrophysics Data System (ADS)

Barth, C.; van der Laan, D. C.; Bagrets, N.; Bayer, C. M.; Weiss, K.-P.; Lange, C.

2015-06-01

The conductor on round core (CORC) cable is one of the major high temperature superconductor cable concepts combining scalability, flexibility, mechanical strength, ease of fabrication and high current density; making it a possible candidate as conductor for large, high field magnets. To simulate the boundary conditions of such magnets as well as the temperature dependence of CORC cables a 1.16 m long sample consisting of 15, 4 mm wide SuperPower REBCO tapes was characterized using the ‘FBI’ (force—field—current) superconductor test facility of the Institute for Technical Physics of the Karlsruhe Institute of Technology. In a five step investigation, the CORC cable’s performance was determined at different transverse mechanical loads, magnetic background fields and temperatures as well as its response to swift current changes. In the first step, the sample’s 77 K, self-field current was measured in a liquid nitrogen bath. In the second step, the temperature dependence was measured at self-field condition and compared with extrapolated single tape data. In the third step, the magnetic background field was repeatedly cycled while measuring the current carrying capabilities to determine the impact of transverse Lorentz forces on the CORC cable sample’s performance. In the fourth step, the sample’s current carrying capabilities were measured at different background fields (2-12 T) and surface temperatures (4.2-51.5 K). Through finite element method simulations, the surface temperatures are converted into average sample temperatures and the gained field- and temperature dependence is compared with extrapolated single tape data. In the fifth step, the response of the CORC cable sample to rapid current changes (8.3 kA s-1) was observed with a fast data acquisition system. During these tests, the sample performance remains constant, no degradation is observed. The sample’s measured current carrying capabilities correlate to those of single tapes assuming field- and temperature dependence as published by the manufacturer.

Study of flow fractionation characteristics of magnetic chromatography utilizing high-temperature superconducting bulk magnet.

PubMed

Fukui, Satoshi; Shoji, Yoshihiro; Ogawa, Jun; Oka, Tetsuo; Yamaguchi, Mitsugi; Sato, Takao; Ooizumi, Manabu; Imaizumi, Hiroshi; Ohara, Takeshi

2009-02-01

We present numerical simulation of separating magnetic particles with different magnetic susceptibilities by magnetic chromatography using a high-temperature superconducting bulk magnet. The transient transport is numerically simulated for two kinds of particles having different magnetic susceptibilities. The time evolutions were calculated for the particle concentration in the narrow channel of the spiral arrangement placed in the magnetic field. The field is produced by the highly magnetized high-temperature superconducting bulk magnet. The numerical results show the flow velocity difference of the particle transport corresponding to the difference in the magnetic susceptibility, as well as the possible separation of paramagnetic particles of 20 nm diameter.

Grain dryer temperature field analysis

NASA Astrophysics Data System (ADS)

Li, Shizhuang; Cao, Shukun; Meng, Wenjing; Ma, Lingran

2017-09-01

Taking into account the drying process in the hot air temperature on the grain temperature has a great impact, and grain temperature and determines the quality of food after baking, so in order to ensure that the grain drying temperature in the safe range, the use of ANSYS FLUENT module of grain The temperature field was simulated in the drying process. The horizontal spacing of the angle box was 200mm and the vertical spacing was 240mm. At this time, the grain temperature distribution was more uniform and the drying was more adequate.

An improved model for soil surface temperature from air temperature in permafrost regions of Qinghai-Xizang (Tibet) Plateau of China

NASA Astrophysics Data System (ADS)

Hu, Guojie; Wu, Xiaodong; Zhao, Lin; Li, Ren; Wu, Tonghua; Xie, Changwei; Pang, Qiangqiang; Cheng, Guodong

2017-08-01

Soil temperature plays a key role in hydro-thermal processes in environments and is a critical variable linking surface structure to soil processes. There is a need for more accurate temperature simulation models, particularly in Qinghai-Xizang (Tibet) Plateau (QXP). In this study, a model was developed for the simulation of hourly soil surface temperatures with air temperatures. The model incorporated the thermal properties of the soil, vegetation cover, solar radiation, and water flux density and utilized field data collected from Qinghai-Xizang (Tibet) Plateau (QXP). The model was used to simulate the thermal regime at soil depths of 5 cm, 10 cm and 20 cm and results were compared with those from previous models and with experimental measurements of ground temperature at two different locations. The analysis showed that the newly developed model provided better estimates of observed field temperatures, with an average mean absolute error (MAE), root mean square error (RMSE), and the normalized standard error (NSEE) of 1.17 °C, 1.30 °C and 13.84 %, 0.41 °C, 0.49 °C and 5.45 %, 0.13 °C, 0.18 °C and 2.23 % at 5 cm, 10 cm and 20 cm depths, respectively. These findings provide a useful reference for simulating soil temperature and may be incorporated into other ecosystem models requiring soil temperature as an input variable for modeling permafrost changes under global warming.

The System of Simulation and Multi-objective Optimization for the Roller Kiln

NASA Astrophysics Data System (ADS)

Huang, He; Chen, Xishen; Li, Wugang; Li, Zhuoqiu

It is somewhat a difficult researching problem, to get the building parameters of the ceramic roller kiln simulation model. A system integrated of evolutionary algorithms (PSO, DE and DEPSO) and computational fluid dynamics (CFD), is proposed to solve the problem. And the temperature field uniformity and the environment disruption are studied in this paper. With the help of the efficient parallel calculation, the ceramic roller kiln temperature field uniformity and the NOx emissions field have been researched in the system at the same time. A multi-objective optimization example of the industrial roller kiln proves that the system is of excellent parameter exploration capability.

Electrocaloric effect in BaTiO3 at all three ferroelectric transitions: Anisotropy and inverse caloric effects

NASA Astrophysics Data System (ADS)

Marathe, Madhura; Renggli, Damian; Sanlialp, Mehmet; Karabasov, Maksim O.; Shvartsman, Vladimir V.; Lupascu, Doru C.; Grünebohm, Anna; Ederer, Claude

2017-07-01

We study the electrocaloric (EC) effect in bulk BaTiO3 (BTO) using molecular dynamics simulations of a first principles-based effective Hamiltonian, combined with direct measurements of the adiabatic EC temperature change in BTO single crystals. We examine in particular the dependence of the EC effect on the direction of the applied electric field at all three ferroelectric transitions, and we show that the EC response is strongly anisotropic. Most strikingly, an inverse caloric effect, i.e., a temperature increase under field removal, can be observed at both ferroelectric-ferroelectric transitions for certain orientations of the applied field. Using the generalized Clausius-Clapeyron equation, we show that the inverse effect occurs exactly for those cases where the field orientation favors the higher temperature/higher entropy phase. Our simulations show that temperature changes of around 1 K can, in principle, be obtained at the tetragonal-orthorhombic transition close to room temperature, even for small applied fields, provided that the applied field is strong enough to drive the system across the first-order transition line. Our direct EC measurements for BTO single crystals at the cubic-tetragonal and at the tetragonal-orthorhombic transitions are in good qualitative agreement with our theoretical predictions, and in particular confirm the occurrence of an inverse EC effect at the tetragonal-orthorhombic transition for electric fields applied along the [001] pseudocubic direction.

Simulated climate-warming increases Coleoptera activity-densities and reduces community diversity in a cereal crop

USDA-ARS?s Scientific Manuscript database

To assess one likely effect of global warming, we experimentally increased the temperature and precipitation of a coleopteran community (mainly Carabidae) of an agro-ecosystem. We simulated climate change on a field of spring wheat by experimentally increasing the temperature by 2°C using infrared h...

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.

Sea ice simulations based on fields generated by the GLAS GCM. [Goddard Laboratory for Atmospheric Sciences General Circulation Model

NASA Technical Reports Server (NTRS)

Parkinson, C. L.; Herman, G. F.

1980-01-01

The GLAS General Circulation Model (GCM) was applied to the four-month simulation of the thermodynamic part of the Parkinson-Washington sea ice model using atmospheric boundary conditions. The sea ice thickness and distribution were predicted for the Jan. 1-Apr. 30 period using the GCM-fields of solar and infrared radiation, specific humidity and air temperature at the surface, and snow accumulation; the sensible heat and evaporative surface fluxes were consistent with the ground temperatures produced by the ice model and the air temperatures determined by the atmospheric concept. It was concluded that the Parkinson-Washington sea ice model results in acceptable ice concentrations and thicknesses when used with GLAS GCM for the Jan.-Apr. period suggesting the feasibility of fully coupled ice-atmosphere simulations with these two approaches.

A novel flexible field-aligned coordinate system for tokamak edge plasma simulation

NASA Astrophysics Data System (ADS)

Leddy, J.; Dudson, B.; Romanelli, M.; Shanahan, B.; Walkden, N.

2017-03-01

Tokamak plasmas are confined by a magnetic field that limits the particle and heat transport perpendicular to the field. Parallel to the field the ionised particles can move freely, so to obtain confinement the field lines are "closed" (i.e. form closed surfaces of constant poloidal flux) in the core of a tokamak. Towards, the edge, however, the field lines intersect physical surfaces, leading to interaction between neutral and ionised particles, and the potential melting of the material surface. Simulation of this interaction is important for predicting the performance and lifetime of future tokamak devices such as ITER. Field-aligned coordinates are commonly used in the simulation of tokamak plasmas due to the geometry and magnetic topology of the system. However, these coordinates are limited in the geometry they allow in the poloidal plane due to orthogonality requirements. A novel 3D coordinate system is proposed herein that relaxes this constraint so that any arbitrary, smoothly varying geometry can be matched in the poloidal plane while maintaining a field-aligned coordinate. This system is implemented in BOUT++ and tested for accuracy using the method of manufactured solutions. A MAST edge cross-section is simulated using a fluid plasma model and the results show expected behaviour for density, temperature, and velocity. Finally, simulations of an isolated divertor leg are conducted with and without neutrals to demonstrate the ion-neutral interaction near the divertor plate and the corresponding beneficial decrease in plasma temperature.

SiC JFET Transistor Circuit Model for Extreme Temperature Range

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.

2008-01-01

A technique for simulating extreme-temperature operation of integrated circuits that incorporate silicon carbide (SiC) junction field-effect transistors (JFETs) has been developed. The technique involves modification of NGSPICE, which is an open-source version of the popular Simulation Program with Integrated Circuit Emphasis (SPICE) general-purpose analog-integrated-circuit-simulating software. NGSPICE in its unmodified form is used for simulating and designing circuits made from silicon-based transistors that operate at or near room temperature. Two rapid modifications of NGSPICE source code enable SiC JFETs to be simulated to 500 C using the well-known Level 1 model for silicon metal oxide semiconductor field-effect transistors (MOSFETs). First, the default value of the MOSFET surface potential must be changed. In the unmodified source code, this parameter has a value of 0.6, which corresponds to slightly more than half the bandgap of silicon. In NGSPICE modified to simulate SiC JFETs, this parameter is changed to a value of 1.6, corresponding to slightly more than half the bandgap of SiC. The second modification consists of changing the temperature dependence of MOSFET transconductance and saturation parameters. The unmodified NGSPICE source code implements a T(sup -1.5) temperature dependence for these parameters. In order to mimic the temperature behavior of experimental SiC JFETs, a T(sup -1.3) temperature dependence must be implemented in the NGSPICE source code. Following these two simple modifications, the Level 1 MOSFET model of the NGSPICE circuit simulation program reasonably approximates the measured high-temperature behavior of experimental SiC JFETs properly operated with zero or reverse bias applied to the gate terminal. Modification of additional silicon parameters in the NGSPICE source code was not necessary to model experimental SiC JFET current-voltage performance across the entire temperature range from 25 to 500 C.

Probabilistic approach of resource assessment in Kerinci geothermal field using numerical simulation coupling with monte carlo simulation

NASA Astrophysics Data System (ADS)

Hidayat, Iki; Sutopo; Pratama, Heru Berian

2017-12-01

The Kerinci geothermal field is one phase liquid reservoir system in the Kerinci District, western part of Jambi Province. In this field, there are geothermal prospects that identified by the heat source up flow inside a National Park area. Kerinci field was planned to develop 1×55 MWe by Pertamina Geothermal Energy. To define reservoir characterization, the numerical simulation of Kerinci field is developed by using TOUGH2 software with information from conceptual model. The pressure and temperature profile well data of KRC-B1 are validated with simulation data to reach natural state condition. The result of the validation is suitable matching. Based on natural state simulation, the resource assessment of Kerinci geothermal field is estimated by using Monte Carlo simulation with the result P10-P50-P90 are 49.4 MW, 64.3 MW and 82.4 MW respectively. This paper is the first study of resource assessment that has been estimated successfully in Kerinci Geothermal Field using numerical simulation coupling with Monte carlo simulation.

Preliminary investigation of the microwave pyrolysis mechanism of sludge based on high frequency structure simulator simulation of the electromagnetic field distribution.

PubMed

Ma, Rui; Yuan, Nana; Sun, Shichang; Zhang, Peixin; Fang, Lin; Zhang, Xianghua; Zhao, Xuxin

2017-06-01

Under microwave irradiation, raw sludge was pyrolyzed mainly by evaporation of water, with a weight loss ratio of 84.8% and a maximum temperature not exceeding 200°C. High-temperature pyrolysis of SiC sludge could be realized, with a weight loss ratio of 93.4% and a final pyrolysis temperature of 1131.7°C. Variations between the electric field intensity distribution are the main reason for the differences of pyrolysis efficiencies. HFSS simulation showed that the electric field intensity of the raw sludge gradually decreased from 2.94×10 4 V/m to 0.88×10 4 V/m when pyrolysis ends, while that of SiC sludge decreased from 3.73×10 4 V/m at the beginning to 1.28×10 4 V/m, then increased to 4.03×10 4 V/m. The electromagnetic effect is the main factor (r≥0.91) influencing the temperature increase and weight loss of raw sludge. Both the electromagnetic effect and heat conduction effect influenced temperature rise and weight loss of SiC sludge, but the former's influence was comparatively larger. Copyright © 2017 Elsevier Ltd. All rights reserved.

Study of temperature distributions in wafer exposure process

NASA Astrophysics Data System (ADS)

Lin, Zone-Ching; Wu, Wen-Jang

During the exposure process of photolithography, wafer absorbs the exposure energy, which results in rising temperature and the phenomenon of thermal expansion. This phenomenon was often neglected due to its limited effect in the previous generation of process. However, in the new generation of process, it may very likely become a factor to be considered. In this paper, the finite element model for analyzing the transient behavior of the distribution of wafer temperature during exposure was established under the assumption that the wafer was clamped by a vacuum chuck without warpage. The model is capable of simulating the distribution of the wafer temperature under different exposure conditions. The flowchart of analysis begins with the simulation of transient behavior in a single exposure region to the variation of exposure energy, interval of exposure locations and interval of exposure time under continuous exposure to investigate the distribution of wafer temperature. The simulation results indicate that widening the interval of exposure locations has a greater impact in improving the distribution of wafer temperature than extending the interval of exposure time between neighboring image fields. Besides, as long as the distance between the field center locations of two neighboring exposure regions exceeds the straight distance equals to three image fields wide, the interacting thermal effect during wafer exposure can be ignored. The analysis flow proposed in this paper can serve as a supporting reference tool for engineers in planning exposure paths.

Long-term stability of Cu surface nanotips

NASA Astrophysics Data System (ADS)

Jansson, V.; Baibuz, E.; Djurabekova, F.

2016-07-01

Sharp nanoscale tips on the metal surfaces of electrodes enhance locally applied electric fields. Strongly enhanced electric fields trigger electron field emission and atom evaporation from the apexes of nanotips. Together, these processes may explain electric discharges in the form of small local arcs observed near metal surfaces in the presence of electric fields, even in ultra-high vacuum conditions. In the present work, we investigate the stability of nanoscale tips by means of computer simulations of surface diffusion processes on copper, the main material used in high-voltage electronics. We study the stability and lifetime of thin copper (Cu) surface nanotips at different temperatures in terms of diffusion processes. For this purpose we have developed a surface kinetic Monte Carlo (KMC) model where the jump processes are described by tabulated precalculated energy barriers. We show that tall surface features with high aspect ratios can be fairly stable at room temperature. However, the stability was found to depend strongly on the temperature: 13 nm nanotips with the major axes in the < 110> crystallographic directions were found to flatten down to half of the original height in less than 100 ns at temperatures close to the melting point, whereas no significant change in the height of these nanotips was observed after 10 {{μ }}{{s}} at room temperature. Moreover, the nanotips built up along the < 110> crystallographic directions were found to be significantly more stable than those oriented in the < 100> or < 111> crystallographic directions. The proposed KMC model has been found to be well-suited for simulating atomic surface processes and was validated against molecular dynamics simulation results via the comparison of the flattening times obtained by both methods. We also note that the KMC simulations were two orders of magnitude computationally faster than the corresponding molecular dynamics calculations.

Impact of Assimilation of Conventional and Satellite Radiance GTS Observations on Simulation of Mesoscale Convective System Over Southeast India Using WRF-3DVar

NASA Astrophysics Data System (ADS)

Madhulatha, A.; Rajeevan, M.; Bhowmik, S. K. Roy; Das, A. K.

2018-01-01

The primary goal of present study is to investigate the impact of assimilation of conventional and satellite radiance observations in simulating the mesoscale convective system (MCS) formed over south east India. An assimilation methodology based on Weather Research and Forecasting model three dimensional variational data assimilation is considered. Few numerical experiments are carried out to examine the individual and combined impact of conventional and non-conventional (satellite radiance) observations. After the successful inclusion of additional observations, strong analysis increments of temperature and moisture fields are noticed and contributed to significant improvement in model's initial fields. The resulting model simulations are able to successfully reproduce the prominent synoptic features responsible for the initiation of MCS. Among all the experiments, the final experiment in which both conventional and satellite radiance observations assimilated has showed considerable impact on the prediction of MCS. The location, genesis, intensity, propagation and development of rain bands associated with the MCS are simulated reasonably well. The biases of simulated temperature, moisture and wind fields at surface and different pressure levels are reduced. Thermodynamic, dynamic and vertical structure of convective cells associated with the passage of MCS are well captured. Spatial distribution of rainfall is fairly reproduced and comparable to TRMM observations. It is demonstrated that incorporation of conventional and satellite radiance observations improved the local and synoptic representation of temperature, moisture fields from surface to different levels of atmosphere. This study highlights the importance of assimilation of conventional and satellite radiances in improving the models initial conditions and simulation of MCS.

Particle in cell simulation of instabilities in space and astrophysical plasmas

NASA Astrophysics Data System (ADS)

Tonge, John William

Several plasma instabilities relevant to space physics are investigated using the parallel PIC plasma simulation code P3arsec. This thesis addresses electrostatic micro-instabilities relevant to ion ring distributions, proceeds to electromagnetic micro-instabilities pertinent to streaming plasmas, and then to the stability of a plasma held in the field of a current rod. The physical relevance of each of these instabilities is discussed, a phenomenological description is given, and analytic and simulation results are presented and compared. Instability of a magnetized plasma with a portion of the ions in a velocity ring distribution around the magnetic field is investigated using simulation and analytic theory. The physics of this distribution is relevant to solar flares, x-ray emission by comets, and pulsars. Physical parameters, including the mass ratio, are near those of a solar flare in the simulation. The simulation and analytic results show agreement in the linear regime. In the nonlinear stage the simulation shows highly accelerated electrons in agreement with the observed spectrum of x-rays emitted by solar flares. A mildly relativistic streaming electron positron plasma with no ambient magnetic field is known to be unstable to electrostatic (two-stream/beam instability) and purely electromagnetic (Weibel) modes. This instability is relevant to highly energetic interstellar phenomena, including pulsars, supernova remnants, and the early universe. It is also important for experiments in which relativistic beams penetrate a background plasma, as in fast ignitor scenarios. Cold analytic theory is presented and compared to simulations. There is good agreement in the regime where cold theory applies. The simulation and theory shows that to properly characterize the instability, directions parallel and perpendicular to propagation of the beams must be considered. A residual magnetic field is observed which may be of astro-physical significance. The stability of a plasma in the magnetic field of a current rod is investigated for various temperature and density profiles. Such a plasma obeys similar physics to a plasma in a dipole magnetic field, while the current rod is much easier to analyze theoretically and realize in simulations. The stability properties of a plasma confined in a dipole field are important for understanding a variety of space phenomena and the Levitated Dipole eXperiment (LDX). Simple energy principle calculations and simulations with a variety of temperature and density profiles show that the plasma is stable to interchange for pressure profiles ∝ r-10/3. The simulations also show that the density profile will be stationary as long as density ∝ r -2 even though the temperature profile may not be stable.

Aerodynamic drag characterization and deposition studies of irregular particles. Part 3: Analysis of flow and temperature field inside the Combustion Deposition Entrained Reactor (CDER)

NASA Astrophysics Data System (ADS)

Celik, I.; Katragadda, S.; Nagarajan, R.

1990-01-01

An experimental and numerical analysis was performed of the temperature and flow field involved in co-axial, confined, non-reacting heated jets in a drop tube reactor. An electrically heated 2-inch (50.8 mm) diameter drop tube reactor was utilized to study the jet characteristics. Profiles of gas temperature, typically in the range of 800 to 1600 K were measured in the mixing zone of the jet with a K-Type thermocouple. Measured temperatures were corrected for conduction, convection, and radiation heat losses. Because of limited access to the mixing zone, characterization of the flow field at high temperatures with laser Doppler or hot wire anemometry were impractical. A computer program which solves the full equations of motion and energy was employed to simulate the temperature and flow fields. The location of the recirculation region, the flow regimes, and the mixing phenomena were studied. The wall heating, laminar and turbulent flow regimes were considered in the simulations. The predictions are in fairly good agreement with the corrected temperature measurements provided that the flow is turbulent. The results of this study demonstrate how a numerical method and measurement can be used together to analyze the flow conditions inside a reactor which has limited access because of very high temperatures.

Interpreting remanence isotherms: a Preisach-based study

NASA Astrophysics Data System (ADS)

Roshko, R. M.; Viddal, C.

2004-07-01

Numerical simulations of the field dependence of the isothermal remanent moment (IRM) and the thermoremanent moment (TRM) are presented, based on a Preisach formalism which decomposes the free energy landscape into an ensemble of thermally activated, temperature dependent, double well subsystems, each characterized by a dissipation field H d and a bias field H s . The simulations show that the TRM approaches saturation much more rapidly than the corresponding IRM and that, as a consequence, the characteristics of the IRM are determined primarily by the distribution of dissipation fields, as defined by the mean field bar {H}_d (T) and the dispersion σ_d (T), while the characteristics of the TRM are determined primarily by a mixture of the mean dissipation field bar {H}_d (T) and the dispersion of bias fields σ_s (T). The simulations also identify a regime bar {H}_d ≫σ_s , where the influence of bar {H}_d (T) on the TRM is negligible, and hence where the TRM and the IRM provide essentially independent scans of the Preisach distribution along the two orthogonal H s and H d directions, respectively. The systematics established by the model simulations are exploited to analyze TRM and IRM data from a mixed ferromagnetic perovskite Ca0.4Sr0.6RuO3, and to reconstruct the distribution of characteristic fields H d and H s , and its variation with temperature.

Design of shared instruments to utilize simulated gravities generated by a large-gradient, high-field superconducting magnet.

PubMed

Wang, Y; Yin, D C; Liu, Y M; Shi, J Z; Lu, H M; Shi, Z H; Qian, A R; Shang, P

2011-03-01

A high-field superconducting magnet can provide both high-magnetic fields and large-field gradients, which can be used as a special environment for research or practical applications in materials processing, life science studies, physical and chemical reactions, etc. To make full use of a superconducting magnet, shared instruments (the operating platform, sample holders, temperature controller, and observation system) must be prepared as prerequisites. This paper introduces the design of a set of sample holders and a temperature controller in detail with an emphasis on validating the performance of the force and temperature sensors in the high-magnetic field.

Influence of thermo-gravitational convection in the flow of liquid metal in a horizontal pipe with a longitudinal magnetic field

NASA Astrophysics Data System (ADS)

Akhmedagaev, R.; Listratov, Y.

2017-11-01

The direct numerical simulation (DNS) of MHD-heat transfer problems in turbulent flow of liquid metal (LM) in a horizontal pipe with a joint effect of the longitudinal magnetic field (MF) and thermo-gravitational convection (TGC). The authors calculated the effect of TGC in a strong longitudinal MF for a homogeneous heating. Investigated the averaged fields of velocity and temperature, heat transfer characteristics, the distribution of wall temperature along the perimeter of the cross section of the pipe. The effect of TGC on the velocity field is affected stronger than in the temperature field.

Design of shared instruments to utilize simulated gravities generated by a large-gradient, high-field superconducting magnet

NASA Astrophysics Data System (ADS)

Wang, Y.; Yin, D. C.; Liu, Y. M.; Shi, J. Z.; Lu, H. M.; Shi, Z. H.; Qian, A. R.; Shang, P.

2011-03-01

A high-field superconducting magnet can provide both high-magnetic fields and large-field gradients, which can be used as a special environment for research or practical applications in materials processing, life science studies, physical and chemical reactions, etc. To make full use of a superconducting magnet, shared instruments (the operating platform, sample holders, temperature controller, and observation system) must be prepared as prerequisites. This paper introduces the design of a set of sample holders and a temperature controller in detail with an emphasis on validating the performance of the force and temperature sensors in the high-magnetic field.

Prediction and Measurement of Temperature Rise Induced by High Intensity Focused Ultrasound in a Tissue-Mimicking Phantom

NASA Astrophysics Data System (ADS)

Lee, Kang Il

2018-06-01

The present study aims to predict the temperature rise induced by high intensity focused ultrasound (HIFU) in soft tissues to assess tissue damage during HIFU thermal therapies. With the help of a MATLAB-based software package developed for HIFU simulation, the HIFU field was simulated by solving the axisymmetric Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation from the frequency-domain perspective, and the HIFU-induced temperature rise in a tissue-mimicking phantom was simulated by solving Pennes' bioheat transfer (BHT) equation. In order to verify the simulation results, we performed in-vitro heating experiments on a tissue-mimicking phantom by using a 1.1-MHz, single-element, spherically focused HIFU transducer. The temperature rise near the focal spot obtained from the HIFU simulator was in good agreement with that from the in-vitro experiments. This confirms that the HIFU simulator based on the KZK and the BHT equations captures the HIFU-induced temperature rise in soft tissues well enough to make it suitable for HIFU treatment planning.

Influence of the Aral Sea negative water balance on its seasonal circulation and ventilation patterns: use of a 3d hydrodynamic model.

NASA Astrophysics Data System (ADS)

Sirjacobs, D.; Grégoire, M.; Delhez, E.; Nihoul, J.

2003-04-01

Within the context of the EU INCO-COPERNICUS program "Desertification in the Aral Sea Region: A study of the Natural and Anthropogenic Impacts" (Contract IAC2-CT-2000-10023), a large-scale 3D hydrodynamic model was adapted to address specifically the macroscale processes affecting the Aral Sea water circulation and ventilation. The particular goal of this research is to simulate the effect of lasting negative water balance on the 3D seasonal circulation, temperature, salinity and water-mixing fields of the Aral Sea. The original Aral Sea seasonal hydrodynamism is simulated with the average seasonal forcings corresponding to the period from 1956 to 1960. This first investigation concerns a period of relative stability of the water balance, before the beginning of the drying process. The consequences of the drying process on the hydrodynamic of the Sea will be studied by comparing this first results with the simulation representing the average situation for the years 1981 to 1985, a very low river flow period. For both simulation periods, the forcing considered are the seasonal fluctuations of wind fields, precipitation, evaporation, river discharge and salinity, cloud cover, air temperature and humidity. The meteorological forcings were adapted to the common optimum one-month temporal resolution of the available data sets. Monthly mean kinetic energy flux and surface tensions were calculated from daily ECMWF wind data. Monthly in situ precipitation, surface air temperature and humidity fields were interpolated from data obtained from the Russian Hydrological and Meteorological Institute. Monthly water discharge and average salinity of the river water were considered for both Amu Darya and Syr Darya river over each simulation periods. The water mass conservation routines allowed the simulation of a changing coastline by taking into account local drying and flooding events of particular grid points. Preliminary barotropic runs were realised (for the 1951-1960 situation, before drying up began) in order to get a first experience of the behaviour of the hydrodynamic model. These first runs provide results about the evolution of the following state variables: elevation of the sea surface, 3D fields of vertical and horizontal flows, 2D fields of average horizontal flows and finally the 3D fields of turbulent kinetic energy. The mean seasonal salinity and temperature fields (in-situ data gathered by the Russian Hydrological and Meteorological Institute) are available for the two simulated periods and will allow a first validation of the hydrodynamic model. Various satellites products were identified, collected and processed in the frame of this research project and will be used for the validation of the model outputs. Seasonal level changes measurements derived from water table change will serve for water balance validation and sea surface temperature for hydrodynamics validation.

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.

Some tests of flat plate photovoltaic module cell temperatures in simulated field conditions

NASA Technical Reports Server (NTRS)

Griffith, J. S.; Rathod, M. S.; Paslaski, J.

1981-01-01

The nominal operating cell temperature (NOCT) of solar photovoltaic (PV) modules is an important characteristic. Typically, the power output of a PV module decreases 0.5% per deg C rise in cell temperature. Several tests were run with artificial sun and wind to study the parametric dependencies of cell temperature on wind speed and direction and ambient temperature. It was found that the cell temperature is extremely sensitive to wind speed, moderately so to wind direction and rather insensitive to ambient temperature. Several suggestions are made to obtain data more typical of field conditions.

The Predictability of Near-Coastal Currents Using a Baroclinic Unstructured Grid Model

DTIC Science & Technology

2011-12-28

clinic simulations. ADCIRC solves the time-dependent scalar transport equation for salinity and temperature. Through the equation of state...described by McDougall ct al. (2003), ADCIRC uses the temperature, salinity , and pressure in determining the density field. In order to avoid spurious...model. 2.3 Initialization and boundary forcing Temperature, salinity , elevation, and velocity fields from a regional ocean model are needed both to

Tracking of large-scale structures in turbulent channel with direct numerical simulation of low Prandtl number passive scalar

NASA Astrophysics Data System (ADS)

Tiselj, Iztok

2014-12-01

Channel flow DNS (Direct Numerical Simulation) at friction Reynolds number 180 and with passive scalars of Prandtl numbers 1 and 0.01 was performed in various computational domains. The "normal" size domain was ˜2300 wall units long and ˜750 wall units wide; size taken from the similar DNS of Moser et al. The "large" computational domain, which is supposed to be sufficient to describe the largest structures of the turbulent flows was 3 times longer and 3 times wider than the "normal" domain. The "very large" domain was 6 times longer and 6 times wider than the "normal" domain. All simulations were performed with the same spatial and temporal resolution. Comparison of the standard and large computational domains shows the velocity field statistics (mean velocity, root-mean-square (RMS) fluctuations, and turbulent Reynolds stresses) that are within 1%-2%. Similar agreement is observed for Pr = 1 temperature fields and can be observed also for the mean temperature profiles at Pr = 0.01. These differences can be attributed to the statistical uncertainties of the DNS. However, second-order moments, i.e., RMS temperature fluctuations of standard and large computational domains at Pr = 0.01 show significant differences of up to 20%. Stronger temperature fluctuations in the "large" and "very large" domains confirm the existence of the large-scale structures. Their influence is more or less invisible in the main velocity field statistics or in the statistics of the temperature fields at Prandtl numbers around 1. However, these structures play visible role in the temperature fluctuations at low Prandtl number, where high temperature diffusivity effectively smears the small-scale structures in the thermal field and enhances the relative contribution of large-scales. These large thermal structures represent some kind of an echo of the large scale velocity structures: the highest temperature-velocity correlations are not observed between the instantaneous temperatures and instantaneous streamwise velocities, but between the instantaneous temperatures and velocities averaged over certain time interval.

Effects of microwave electric fields on the translational diffusion of dipolar molecules in surface potential: A simulation study

NASA Astrophysics Data System (ADS)

Kapranov, Sergey V.; Kouzaev, Guennadi A.

2018-01-01

Variations of effective diffusion coefficient of polar molecules exposed to microwave electric fields in a surface potential are studied by solving coupled stochastic differential equations of motion with a deterministic component of the surface force. Being an essential tool for the simulation interpretation, a theoretical approach to effective diffusion in surface potential is first developed. The effective diffusion coefficient is represented as the product of the normal diffusion coefficient and potential-dependent correction function, whose temperature dependence is close to the Arrhenius form. The analytically found zero-diffusion condition defines the state of thermal equilibrium at the surface. The diffusion of a water-like dipole molecule in the potential of graphite surface is simulated in the field-free conditions and in the presence of the alternating electric fields of various magnitude intensities and frequencies. Temperature dependence of the correction function exhibits field-induced variations of the effective Lennard-Jones energy parameter. It demonstrates maximum departure from the zero-field value at certain frequencies and intensities, which is associated with variations in the rotational dynamics. A concept of the amplitude-frequency resonance put forward to interpret the simulation results is explained using a heuristic reasoning and is corroborated by semi-quantitative considerations in terms of the Dissado-Hill cluster theory of dielectric relaxation.

Towards bridging the gap between climate change projections and maize producers in South Africa

NASA Astrophysics Data System (ADS)

Landman, Willem A.; Engelbrecht, Francois; Hewitson, Bruce; Malherbe, Johan; van der Merwe, Jacobus

2018-05-01

Multi-decadal regional projections of future climate change are introduced into a linear statistical model in order to produce an ensemble of austral mid-summer maximum temperature simulations for southern Africa. The statistical model uses atmospheric thickness fields from a high-resolution (0.5° × 0.5°) reanalysis-forced simulation as predictors in order to develop a linear recalibration model which represents the relationship between atmospheric thickness fields and gridded maximum temperatures across the region. The regional climate model, the conformal-cubic atmospheric model (CCAM), projects maximum temperatures increases over southern Africa to be in the order of 4 °C under low mitigation towards the end of the century or even higher. The statistical recalibration model is able to replicate these increasing temperatures, and the atmospheric thickness-maximum temperature relationship is shown to be stable under future climate conditions. Since dry land crop yields are not explicitly simulated by climate models but are sensitive to maximum temperature extremes, the effect of projected maximum temperature change on dry land crops of the Witbank maize production district of South Africa, assuming other factors remain unchanged, is then assessed by employing a statistical approach similar to the one used for maximum temperature projections.

Phase boundaries, nucleation rates and speed of crystal growth of the water-to-ice transition under an electric field: a simulation study

NASA Astrophysics Data System (ADS)

Zaragoza, Alberto; Espinosa, Jorge R.; Ramos, Regina; Cobos, José Antonio; Aragones, Juan Luis; Vega, Carlos; Sanz, Eduardo; Ramírez, Jorge; Valeriani, Chantal

2018-05-01

We investigate with computer simulations the effect of applying an electric field on the water-to-ice transition. We use a combination of state-of-the-art simulation techniques to obtain phase boundaries and crystal growth rates (direct coexistence), nucleation rates (seeding) and interfacial free energies (seeding and mold integration). First, we consider ice Ih, the most stable polymorph in the absence of a field. Its normal melting temperature, speed of crystal growth and nucleation rate (for a given supercooling) diminish as the intensity of the field goes up. Then, we study polarised cubic ice, or ice Icf, the most stable solid phase under a strong electric field. Its normal melting point goes up with the field and, for a given supercooling, under the studied field (0.3 V nm‑1) ice Icf nucleates and grows at a similar rate as Ih with no field. The net effect of the field would then be that ice nucleates at warmer temperatures, but in the form of ice Icf. The main conclusion of this work is that reasonable electric fields (not strong enough to break water molecules apart) are not relevant in the context of homogeneous ice nucleation at 1 bar.

Phase boundaries, nucleation rates and speed of crystal growth of the water-to-ice transition under an electric field: a simulation study.

PubMed

Zaragoza, Alberto; Espinosa, Jorge R; Ramos, Regina; Antonio Cobos, José; Luis Aragones, Juan; Vega, Carlos; Sanz, Eduardo; Ramírez, Jorge; Valeriani, Chantal

2018-05-02

We investigate with computer simulations the effect of applying an electric field on the water-to-ice transition. We use a combination of state-of-the-art simulation techniques to obtain phase boundaries and crystal growth rates (direct coexistence), nucleation rates (seeding) and interfacial free energies (seeding and mold integration). First, we consider ice Ih, the most stable polymorph in the absence of a field. Its normal melting temperature, speed of crystal growth and nucleation rate (for a given supercooling) diminish as the intensity of the field goes up. Then, we study polarised cubic ice, or ice Icf, the most stable solid phase under a strong electric field. Its normal melting point goes up with the field and, for a given supercooling, under the studied field (0.3 V nm -1 ) ice Icf nucleates and grows at a similar rate as Ih with no field. The net effect of the field would then be that ice nucleates at warmer temperatures, but in the form of ice Icf. The main conclusion of this work is that reasonable electric fields (not strong enough to break water molecules apart) are not relevant in the context of homogeneous ice nucleation at 1 bar.

Extended-range high-resolution dynamical downscaling over a continental-scale spatial domain with atmospheric and surface nudging

NASA Astrophysics Data System (ADS)

Husain, S. Z.; Separovic, L.; Yu, W.; Fernig, D.

2014-12-01

Extended-range high-resolution mesoscale simulations with limited-area atmospheric models when applied to downscale regional analysis fields over large spatial domains can provide valuable information for many applications including the weather-dependent renewable energy industry. Long-term simulations over a continental-scale spatial domain, however, require mechanisms to control the large-scale deviations in the high-resolution simulated fields from the coarse-resolution driving fields. As enforcement of the lateral boundary conditions is insufficient to restrict such deviations, large scales in the simulated high-resolution meteorological fields are therefore spectrally nudged toward the driving fields. Different spectral nudging approaches, including the appropriate nudging length scales as well as the vertical profiles and temporal relaxations for nudging, have been investigated to propose an optimal nudging strategy. Impacts of time-varying nudging and generation of hourly analysis estimates are explored to circumvent problems arising from the coarse temporal resolution of the regional analysis fields. Although controlling the evolution of the atmospheric large scales generally improves the outputs of high-resolution mesoscale simulations within the surface layer, the prognostically evolving surface fields can nevertheless deviate from their expected values leading to significant inaccuracies in the predicted surface layer meteorology. A forcing strategy based on grid nudging of the different surface fields, including surface temperature, soil moisture, and snow conditions, toward their expected values obtained from a high-resolution offline surface scheme is therefore proposed to limit any considerable deviation. Finally, wind speed and temperature at wind turbine hub height predicted by different spectrally nudged extended-range simulations are compared against observations to demonstrate possible improvements achievable using higher spatiotemporal resolution.

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.

Comprehension of the Electric Polarization as a Function of Low Temperature

NASA Astrophysics Data System (ADS)

Liu, Changshi

2017-01-01

Polarization response to warming plays an increasingly important role in a number of ferroelectric memory devices. This paper reports on the theoretical explanation of the relationship between polarization and temperature. According to the Fermi-Dirac distribution, the basic property of electric polarization response to temperature in magnetoelectric multiferroic materials is theoretically analyzed. The polarization in magnetoelectric multiferroic materials can be calculated by low temperature using a phenomenological theory suggested in this paper. Simulation results revealed that the numerically calculated results are in good agreement with experimental results of some inhomogeneous multiferroic materials. Numerical simulations have been performed to investigate the influences of both electric and magnetic fields on the polarization in magnetoelectric multiferroic materials. Furthermore, polarization behavior of magnetoelectric multiferroic materials can be predicted by low temperature, electric field and magnetic induction using only one function. The calculations offer an insight into the understanding of the effects of heating and magnetoelectric field on electrical properties of multiferroic materials and offer a potential to use similar methods to analyze electrical properties of other memory devices.

Simulation of self-generated magnetic fields in an inertial fusion hohlraum environment

NASA Astrophysics Data System (ADS)

Farmer, W. A.; Koning, J. M.; Strozzi, D. J.; Hinkel, D. E.; Berzak Hopkins, L. F.; Jones, O. S.; Rosen, M. D.

2017-05-01

We present radiation-hydrodynamic simulations of self-generated magnetic field in a hohlraum, which show an increased temperature in large regions of the underdense fill. Non-parallel gradients in electron density and temperature in a laser-heated plasma give rise to a self-generated field by the "Biermann battery" mechanism. Here, HYDRA simulations of three hohlraum designs on the National Ignition Facility are reported, which use a partial magnetohydrodynamic (MHD) description that includes the self-generated source term, resistive dissipation, and advection of the field due to both the plasma flow and the Nernst term. Anisotropic electron heat conduction parallel and perpendicular to the field is included, but not the Righi-Leduc heat flux. The field strength is too small to compete significantly with plasma pressure, but affects plasma conditions by reducing electron heat conduction perpendicular to the field. Significant reductions in heat flux can occur, especially for high Z plasma, at modest values of the Hall parameter, Ωeτei≲1 , where Ωe=e B /mec and τei is the electron-ion collision time. The inclusion of MHD in the simulations leads to 1 keV hotter electron temperatures in the laser entrance hole and high-Z wall blowoff, which reduces inverse-bremsstrahlung absorption of the laser beam. This improves propagation of the inner beams pointed at the hohlraum equator, resulting in a symmetry shift of the resulting capsule implosion towards a more prolate shape. The time of peak x-ray production in the capsule shifts later by only 70 ps (within experimental uncertainty), but a decomposition of the hotspot shape into Legendre moments indicates a shift of P2/P0 by ˜20 % . This indicates that MHD cannot explain why simulated x-ray drive exceeds measured levels, but may be partially responsible for failures to correctly model the symmetry.

Studies on thermal decomposition behaviors of polypropylene using molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Huang, Jinbao; He, Chao; Tong, Hong; Pan, Guiying

2017-11-01

Polypropylene (PP) is one of the main components of waste plastics. In order to understand the mechanism of PP thermal decomposition, the pyrolysis behaviour of PP has been simulated from 300 to 1000 K in periodic boundary conditions by molecular dynamic method, based on AMBER force field. The simulation results show that the pyrolysis process of PP can mostly be divided into three stages: low temperature pyrolysis stage, intermediate temperature stage and high temperature pyrolysis stage. PP pyrolysis is typical of random main-chain scission, and the possible formation mechanism of major pyrolysis products was analyzed.

Monte Carlo simulation study of positron generation in ultra-intense laser-solid interactions

NASA Astrophysics Data System (ADS)

Yan, Yonghong; Wu, Yuchi; Zhao, Zongqing; Teng, Jian; Yu, Jinqing; Liu, Dongxiao; Dong, Kegong; Wei, Lai; Fan, Wei; Cao, Leifeng; Yao, Zeen; Gu, Yuqiu

2012-02-01

The Monte Carlo transport code Geant4 has been used to study positron production in the transport of laser-produced hot electrons in solid targets. The dependence of the positron yield on target parameters and the hot-electron temperature has been investigated in thick targets (mm-scale), where only the Bethe-Heitler process is considered. The results show that Au is the best target material, and an optimal target thickness exists for generating abundant positrons at a given hot-electron temperature. The positron angular distributions and energy spectra for different hot electron temperatures were studied without considering the sheath field on the back of the target. The effect of the target rear sheath field for positron acceleration was studied by numerical simulation while including an electrostatic field in the Monte Carlo model. It shows that the positron energy can be enhanced and quasi-monoenergetic positrons are observed owing to the effect of the sheath field.

Simulation of Turbine Tone Noise Generation Using a Turbomachinery Aerodynamics Solver

NASA Technical Reports Server (NTRS)

VanZante, Dale; Envia, Edmane

2010-01-01

As turbofan engine bypass ratios continue to increase, the contribution of the turbine to the engine noise signature is receiving more attention. Understanding the relative importance of the various turbine noise generation mechanisms and the characteristics of the turbine acoustic transmission loss are essential ingredients in developing robust reduced-order models for predicting the turbine noise signature. A computationally based investigation has been undertaken to help guide the development of a turbine noise prediction capability that does not rely on empiricism. As proof-of-concept for this approach, two highly detailed numerical simulations of the unsteady flow field inside the first stage of a modern high-pressure turbine were carried out. The simulations were computed using TURBO, which is an unsteady Reynolds-Averaged Navier-Stokes code capable of multi-stage simulations. Spectral and modal analysis of the unsteady pressure data from the numerical simulation of the turbine stage show a circumferential modal distribution that is consistent with the Tyler-Sofrin rule. Within the high-pressure turbine, the interaction of velocity, pressure and temperature fluctuations with the downstream blade rows are all possible tone noise source mechanisms. We have taken the initial step in determining the source strength hierarchy by artificially reducing the level of temperature fluctuations in the turbine flowfield. This was accomplished by changing the vane cooling flow temperature in order to mitigate the vane thermal wake in the second of the two simulations. The results indicated that, despite a dramatic change in the vane cooling flow, the computed modal levels changed very little indicating that the contribution of temperature fluctuations to the overall pressure field is rather small compared with the viscous and potential field interaction mechanisms.

Diffusion of external magnetic fields into the cone-in-shell target in the fast ignition

NASA Astrophysics Data System (ADS)

Sunahara, Atsushi; Morita, Hiroki; Johzaki, Tomoyuki; Nagatomo, Hideo; Fujioka, Shinsuke; Hassanein, Ahmed; Firex Project Team

2017-10-01

We simulated the diffusion of externally applied magnetic fields into cone-in-shell target in the fast ignition. Recently, in the fast ignition scheme, the externally magnetic fields up to kilo-Tesla is used to guide fast electrons to the high-dense imploded core. In order to study the profile of the magnetic field, we have developed 2D cylindrical Maxwell equation solver with Ohm's law, and carried out simulations of diffusion of externally applied magnetic fields into a cone-in-shell target. We estimated the conductivity of the cone and shell target based on the assumption of Saha-ionization equilibrium. Also, we calculated the temporal evolution of the target temperature heated by the eddy current driven by temporal variation of magnetic fields, based on the accurate equation of state. Both, the diffusion of magnetic field and the increase of target temperature interact with each other. We present our results of temporal evolution of the magnetic field and its diffusion into the cone and shell target.

Insight into the Li2CO3-K2CO3 eutectic mixture from classical molecular dynamics: Thermodynamics, structure, and dynamics

NASA Astrophysics Data System (ADS)

Corradini, Dario; Coudert, François-Xavier; Vuilleumier, Rodolphe

2016-03-01

We use molecular dynamics simulations to study the thermodynamics, structure, and dynamics of the Li2CO3-K2CO3 (62:38 mol. %) eutectic mixture. We present a new classical non-polarizable force field for this molten salt mixture, optimized using experimental and first principles molecular dynamics simulations data as reference. This simple force field allows efficient molecular simulations of phenomena at long time scales. We use this optimized force field to describe the behavior of the eutectic mixture in the 900-1100 K temperature range, at pressures between 0 and 5 GPa. After studying the equation of state in these thermodynamic conditions, we present molecular insight into the structure and dynamics of the melt. In particular, we present an analysis of the temperature and pressure dependence of the eutectic mixture's self-diffusion coefficients, viscosity, and ionic conductivity.

Insight into the Li2CO3-K2CO3 eutectic mixture from classical molecular dynamics: Thermodynamics, structure, and dynamics.

PubMed

Corradini, Dario; Coudert, François-Xavier; Vuilleumier, Rodolphe

2016-03-14

We use molecular dynamics simulations to study the thermodynamics, structure, and dynamics of the Li2CO3-K2CO3 (62:38 mol. %) eutectic mixture. We present a new classical non-polarizable force field for this molten salt mixture, optimized using experimental and first principles molecular dynamics simulations data as reference. This simple force field allows efficient molecular simulations of phenomena at long time scales. We use this optimized force field to describe the behavior of the eutectic mixture in the 900-1100 K temperature range, at pressures between 0 and 5 GPa. After studying the equation of state in these thermodynamic conditions, we present molecular insight into the structure and dynamics of the melt. In particular, we present an analysis of the temperature and pressure dependence of the eutectic mixture's self-diffusion coefficients, viscosity, and ionic conductivity.

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.

Aerobrake plasmadynamics - Macroscopic effects

NASA Technical Reports Server (NTRS)

Shebalin, John V.

1990-01-01

The flow around an aerobraking spacecraft (such as the Aeroassist Flight Experiment reentry vehicle) will contain a region of partially ionized gas, that is, a plasma. It is shown here by numerical simulation that macroscopic plasmadynamic effects (which are not included in standard aerothermodynamic simulations) will have a noticeable effect on the reentry flow field. In particular, there are thermoelectric phenomena which can have a major influence in flow dynamics at the front of an ionizing bowshock. These thermoelectric phenomena arise because of the presence of large density and temperature gradients at the front of a reentry bowshock, and they include strong local magnetic fields, electric currents, and ohmic heating. One important result is the dramatic increase in temperature (over the case where plasma effects are neglected) at a reentry shock front; the implication is that macroscopic plasmadynamic effects can no longer be neglected in simulations of hypersonic reentry flow fields.

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…

Free-energy landscape of the GB1 hairpin in all-atom explicit solvent simulations with different force fields: Similarities and differences.

PubMed

Best, Robert B; Mittal, Jeetain

2011-04-01

Although it is now possible to fold peptides and miniproteins in molecular dynamics simulations, it is well appreciated that force fields are not all transferable to different proteins. Here, we investigate the influence of the protein force field and the solvent model on the folding energy landscape of a prototypical two-state folder, the GB1 hairpin. We use extensive replica-exchange molecular dynamics simulations to characterize the free-energy surface as a function of temperature. Most of these force fields appear similar at a global level, giving a fraction folded at 300 K between 0.2 and 0.8 in all cases, which is a difference in stability of 2.8 kT, and are generally consistent with experimental data at this temperature. The most significant differences appear in the unfolded state, where there are different residual secondary structures which are populated, and the overall dimensions of the unfolded states, which in most of the force fields are too collapsed relative to experimental Förster Resonance Energy Transfer (FRET) data.

A VAS-numerical model impact study using the Gal-Chen variational approach. [Visible Infrared Spin-Scan Radiometer Atmospheric Sounder (VAS)

NASA Technical Reports Server (NTRS)

Aune, Robert M.; Uccellini, Louis W.; Peterson, Ralph A.; Tuccillo, James J.

1987-01-01

Numerical experiments to assess the impact of incorporating temperature data from the VISSR Atmospheric Sounder (VAS) using the assimilation technique developed by Gal-Chen (1986) modified for use in the Mesoscale Atmospheric Simulation System (MASS) model were conducted. The scheme is designed to utilize the high temporal and horizontal resolution of satellite retrievals while maintaining the fine vertical structure generated by the model. This is accomplished by adjusting the model lapse rates to reflect thicknesses retrieved from VAS and applying a three-dimensional variational that preserves the distribution of the geopotential fields in the model. A nudging technique whereby the model temperature fields are gradually adjusted toward the updated temperature fields during model integration is also tested. An adiabatic version of MASS is used in all experiments to better isolate mass-momentum imbalances. The method has a sustained impact over an 18 hr model simulation.

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.

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

NASA Technical Reports Server (NTRS)

Xu, Kun; Lui, Shiu-Hong

1998-01-01

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

Numerical Simulations of a 96-rod Polysilicon CVD Reactor

NASA Astrophysics Data System (ADS)

Guoqiang, Tang; Cong, Chen; Yifang, Cai; Bing, Zong; Yanguo, Cai; Tihu, Wang

2018-05-01

With the rapid development of the photovoltaic industry, pressurized Siemens belljar-type polysilicon CVD reactors have been enlarged from 24 rods to 96 rods in less than 10 years aimed at much greater single-reactor productivity. A CFD model of an industry-scale 96-rod CVD reactor was established to study the internal temperature distribution and the flow field of the reactor. Numerical simulations were carried out and compared with actual growth results from a real CVD reactor. Factors affecting polysilicon depositions such as inlet gas injections, flow field, and temperature distribution in the CVD reactor are studied.

Experimental simulation of the Unruh effect on an NMR quantum simulator

NASA Astrophysics Data System (ADS)

Jin, FangZhou; Chen, HongWei; Rong, Xing; Zhou, Hui; Shi, MingJun; Zhang, Qi; Ju, ChenYong; Cai, YiFu; Luo, ShunLong; Peng, XinHua; Du, JiangFeng

2016-03-01

The Unruh effect is one of the most fundamental manifestations of the fact that the particle content of a field theory is observer dependent. However, there has been so far no experimental verification of this effect, as the associated temperatures lie far below any observable threshold. Recently, physical phenomena, which are of great experimental challenge, have been investigated by quantum simulations in various fields. Here we perform a proof-of-principle simulation of the evolution of fermionic modes under the Unruh effect with a nuclear magnetic resonance (NMR) quantum simulator. By the quantum simulator, we experimentally demonstrate the behavior of Unruh temperature with acceleration, and we further investigate the quantum correlations quantified by quantum discord between two fermionic modes as seen by two relatively accelerated observers. It is shown that the quantum correlations can be created by the Unruh effect from the classically correlated states. Our work may provide a promising way to explore the quantum physics of accelerated systems.

Simulation study on nitrogen vibrational and translational temperature in air breakdown plasma generated by 110 GHz focused microwave pulse

NASA Astrophysics Data System (ADS)

Yang, Wei; Zhou, Qianhong; Dong, Zhiwei

2017-01-01

We report a simulation study on nitrogen vibrational and translational temperature in 3 μs pulse 110 GHz microwave air breakdown at pressure from 1 Torr to 100 Torr. The one-dimensional model is based on a self-consistent solution to Helmholtz equation for microwave field, electron density equation, and the average energy equation for electrons, nitrogen vibrational, and translational degrees. The breakdown threshold is calculated from the transmitted microwave profile, and it agrees well with that from experiment. The spatio-temporal characteristics of vibrational and translational temperature are shown, and the peak values at the end of pulse are compared to the results fitted from optical emission spectroscopy. The dependences of vibrational and translational temperature on normalized microwave fields and gas pressure are investigated, and the underlying mechanisms are unveiled.

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

NASA Astrophysics Data System (ADS)

Elwood, Teri; Simmons-Potter, Kelly

2017-08-01

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

Diagnostic and model dependent uncertainty of simulated Tibetan permafrost area

NASA Astrophysics Data System (ADS)

Wang, W.; Rinke, A.; Moore, J. C.; Cui, X.; Ji, D.; Li, Q.; Zhang, N.; Wang, C.; Zhang, S.; Lawrence, D. M.; McGuire, A. D.; Zhang, W.; Delire, C.; Koven, C.; Saito, K.; MacDougall, A.; Burke, E.; Decharme, B.

2015-03-01

We perform a land surface model intercomparison to investigate how the simulation of permafrost area on the Tibetan Plateau (TP) varies between 6 modern stand-alone land surface models (CLM4.5, CoLM, ISBA, JULES, LPJ-GUESS, UVic). We also examine the variability in simulated permafrost area and distribution introduced by 5 different methods of diagnosing permafrost (from modeled monthly ground temperature, mean annual ground and air temperatures, air and surface frost indexes). There is good agreement (99-135 x 104 km2) between the two diagnostic methods based on air temperature which are also consistent with the best current observation-based estimate of actual permafrost area (101 x 104 km2). However the uncertainty (1-128 x 104 km2) using the three methods that require simulation of ground temperature is much greater. Moreover simulated permafrost distribution on TP is generally only fair to poor for these three methods (diagnosis of permafrost from monthly, and mean annual ground temperature, and surface frost index), while permafrost distribution using air temperature based methods is generally good. Model evaluation at field sites highlights specific problems in process simulations likely related to soil texture specification and snow cover. Models are particularly poor at simulating permafrost distribution using definition that soil temperature remains at or below 0°C for 24 consecutive months, which requires reliable simulation of both mean annual ground temperatures and seasonal cycle, and hence is relatively demanding. Although models can produce better permafrost maps using mean annual ground temperature and surface frost index, analysis of simulated soil temperature profiles reveals substantial biases. The current generation of land surface models need to reduce biases in simulated soil temperature profiles before reliable contemporary permafrost maps and predictions of changes in permafrost distribution can be made for the Tibetan Plateau.

Modification and optimization of the united-residue (UNRES) potential-energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins

PubMed Central

Liwo, Adam; Khalili, Mey; Czaplewski, Cezary; Kalinowski, Sebastian; Ołdziej, Stanisław; Wachucik, Katarzyna; Scheraga, Harold A.

2011-01-01

We report the modification and parameterization of the united-residue (UNRES) force field for energy-based protein-structure prediction and protein-folding simulations. We tested the approach on three training proteins separately: 1E0L (β), 1GAB (α), and 1E0G (α + β). Heretofore, the UNRES force field had been designed and parameterized to locate native-like structures of proteins as global minima of their effective potential-energy surfaces, which largely neglected the conformational entropy because decoys composed of only lowest-energy conformations were used to optimize the force field. Recently, we developed a mesoscopic dynamics procedure for UNRES, and applied it with success to simulate protein folding pathways. How ever, the force field turned out to be largely biased towards α-helical structures in canonical simulations because the conformational entropy had been neglected in the parameterization. We applied the hierarchical optimization method developed in our earlier work to optimize the force field, in which the conformational space of a training protein is divided into levels each corresponding to a certain degree of native-likeness. The levels are ordered according to increasing native-likeness; level 0 corresponds to structures with no native-like elements and the highest level corresponds to the fully native-like structures. The aim of optimization is to achieve the order of the free energies of levels, decreasing as their native-likeness increases. The procedure is iterative, and decoys of the training protein(s) generated with the energy-function parameters of the preceding iteration are used to optimize the force field in a current iteration. We applied the multiplexing replica exchange molecular dynamics (MREMD) method, recently implemented in UNRES, to generate decoys; with this modification, conformational entropy is taken into account. Moreover, we optimized the free-energy gaps between levels at temperatures corresponding to a predominance of folded or unfolded structures, as well as to structures at the putative folding-transition temperature, changing the sign of the gaps at the transition temperature. This enabled us to obtain force fields characterized by a single peak in the heat capacity at the transition temperature. Furthermore, we introduced temperature dependence to the UNRES force field; this is consistent with the fact that it is a free-energy and not a potential-energy function. PMID:17201450

Greenland-Wide Seasonal Temperatures During the Last Deglaciation

NASA Astrophysics Data System (ADS)

Buizert, C.; Keisling, B. A.; Box, J. E.; He, F.; Carlson, A. E.; Sinclair, G.; DeConto, R. M.

2018-02-01

The sensitivity of the Greenland ice sheet to climate forcing is of key importance in assessing its contribution to past and future sea level rise. Surface mass loss occurs during summer, and accounting for temperature seasonality is critical in simulating ice sheet evolution and in interpreting glacial landforms and chronologies. Ice core records constrain the timing and magnitude of climate change but are largely limited to annual mean estimates from the ice sheet interior. Here we merge ice core reconstructions with transient climate model simulations to generate Greenland-wide and seasonally resolved surface air temperature fields during the last deglaciation. Greenland summer temperatures peak in the early Holocene, consistent with records of ice core melt layers. We perform deglacial Greenland ice sheet model simulations to demonstrate that accounting for realistic temperature seasonality decreases simulated glacial ice volume, expedites the deglacial margin retreat, mutes the impact of abrupt climate warming, and gives rise to a clear Holocene ice volume minimum.

Extended-Range High-Resolution Dynamical Downscaling over a Continental-Scale Domain

NASA Astrophysics Data System (ADS)

Husain, S. Z.; Separovic, L.; Yu, W.; Fernig, D.

2014-12-01

High-resolution mesoscale simulations, when applied for downscaling meteorological fields over large spatial domains and for extended time periods, can provide valuable information for many practical application scenarios including the weather-dependent renewable energy industry. In the present study, a strategy has been proposed to dynamically downscale coarse-resolution meteorological fields from Environment Canada's regional analyses for a period of multiple years over the entire Canadian territory. The study demonstrates that a continuous mesoscale simulation over the entire domain is the most suitable approach in this regard. Large-scale deviations in the different meteorological fields pose the biggest challenge for extended-range simulations over continental scale domains, and the enforcement of the lateral boundary conditions is not sufficient to restrict such deviations. A scheme has therefore been developed to spectrally nudge the simulated high-resolution meteorological fields at the different model vertical levels towards those embedded in the coarse-resolution driving fields derived from the regional analyses. A series of experiments were carried out to determine the optimal nudging strategy including the appropriate nudging length scales, nudging vertical profile and temporal relaxation. A forcing strategy based on grid nudging of the different surface fields, including surface temperature, soil-moisture, and snow conditions, towards their expected values obtained from a high-resolution offline surface scheme was also devised to limit any considerable deviation in the evolving surface fields due to extended-range temporal integrations. The study shows that ensuring large-scale atmospheric similarities helps to deliver near-surface statistical scores for temperature, dew point temperature and horizontal wind speed that are better or comparable to the operational regional forecasts issued by Environment Canada. Furthermore, the meteorological fields resulting from the proposed downscaling strategy have significantly improved spatiotemporal variance compared to those from the operational forecasts, and any time series generated from the downscaled fields do not suffer from discontinuities due to switching between the consecutive forecasts.

The effect of electronically steering a phased array ultrasound transducer on near-field tissue heating.

PubMed

Payne, Allison; Vyas, Urvi; Todd, Nick; de Bever, Joshua; Christensen, Douglas A; Parker, Dennis L

2011-09-01

This study presents the results obtained from both simulation and experimental techniques that show the effect of mechanically or electronically steering a phased array transducer on proximal tissue heating. The thermal response of a nine-position raster and a 16-mm diameter circle scanning trajectory executed through both electronic and mechanical scanning was evaluated in computer simulations and experimentally in a homogeneous tissue-mimicking phantom. Simulations were performed using power deposition maps obtained from the hybrid angular spectrum (HAS) method and applying a finite-difference approximation of the Pennes' bioheat transfer equation for the experimentally used transducer and also for a fully sampled transducer to demonstrate the effect of acoustic window, ultrasound beam overlap and grating lobe clutter on near-field heating. Both simulation and experimental results show that electronically steering the ultrasound beam for the two trajectories using the 256-element phased array significantly increases the thermal dose deposited in the near-field tissues when compared with the same treatment executed through mechanical steering only. In addition, the individual contributions of both beam overlap and grating lobe clutter to the near-field thermal effects were determined through comparing the simulated ultrasound beam patterns and resulting temperature fields from mechanically and electronically steered trajectories using the 256-randomized element phased array transducer to an electronically steered trajectory using a fully sampled transducer with 40 401 phase-adjusted sample points. Three distinctly different three distinctly different transducers were simulated to analyze the tradeoffs of selected transducer design parameters on near-field heating. Careful consideration of design tradeoffs and accurate patient treatment planning combined with thorough monitoring of the near-field tissue temperature will help to ensure patient safety during an MRgHIFU treatment.

Viscosity of two-dimensional strongly coupled dusty plasma modified by a perpendicular magnetic field

NASA Astrophysics Data System (ADS)

Feng, Yan; Lin, Wei; Murillo, M. S.

2017-11-01

Transport properties of two-dimensional (2D) strongly coupled dusty plasmas have been investigated in detail, but never for viscosity with a strong perpendicular magnetic field; here, we examine this scenario using Langevin dynamics simulations of 2D liquids with a binary Yukawa interparticle interaction. The shear viscosity η of 2D liquid dusty plasma is estimated from the simulation data using the Green-Kubo relation, which is the integration of the shear stress autocorrelation function. It is found that, when a perpendicular magnetic field is applied, the shear viscosity of 2D liquid dusty plasma is modified substantially. When the magnetic field is increased, its viscosity increases at low temperatures, while at high temperatures its viscosity diminishes. It is determined that these different variational trends of η arise from the different behaviors of the kinetic and potential parts of the shear stress under external magnetic fields.

Magnetocaloric effect and magnetic properties in SmFe1-xMnxO3 perovskite: Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Erchidi Elyacoubi, A. S.; Masrour, R.; Jabar, A.

2018-03-01

We have used Monte Carlo simulation to study the magnetocaloric effect on SmFe1-xMnxO3 perovskite. The temperature-dependent magnetization shows that the Néel temperature of the weak-ferromagnetic SmFeO3 decreases as Fe ions are substituted by Mn ions. A paramagnetic-to-weak-antiferromagnetic transition with decreasing the temperature is observed and the corresponding Néel temperature essentially decreases as the Mn content increases. The magnetocaloric effect shows two peaks related to magnetic behavior changes, at paramagnetic-like behavior TK(K) and at Néel temperature TN(K) of SmFe1-xMnxO3. The second phase transition is established. The magnetic entropy change is given for a several magnetic fields. We have also determined the relative cooling power for dilution x = 0.5 and for a several external magnetic fields. Finally, the magnetic hysteresis cycles have been obtained with different dilutions x and temperatures values.

Fresnel-region fields and antenna noise-temperature calculations for advanced microwave sounding units

NASA Technical Reports Server (NTRS)

Schmidt, R. F.

1982-01-01

A transition from the antenna noise temperature formulation for extended noise sources in the far-field or Fraunhofer-region of an antenna to one of the intermediate near field or Fresnel-region is discussed. The effort is directed toward microwave antenna simulations and high-speed digital computer analysis of radiometric sounding units used to obtain water vapor and temperature profiles of the atmosphere. Fresnel-region fields are compared at various distances from the aperture. The antenna noise temperature contribution of an annular noise source is computed in the Fresnel-region (D squared/16 lambda) for a 13.2 cm diameter offset-paraboloid aperture at 60 GHz. The time-average Poynting vector is used to effect the computation.

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.

High-resolution surface analysis for extended-range downscaling with limited-area atmospheric models

NASA Astrophysics Data System (ADS)

Separovic, Leo; Husain, Syed Zahid; Yu, Wei; Fernig, David

2014-12-01

High-resolution limited-area model (LAM) simulations are frequently employed to downscale coarse-resolution objective analyses over a specified area of the globe using high-resolution computational grids. When LAMs are integrated over extended time frames, from months to years, they are prone to deviations in land surface variables that can be harmful to the quality of the simulated near-surface fields. Nudging of the prognostic surface fields toward a reference-gridded data set is therefore devised in order to prevent the atmospheric model from diverging from the expected values. This paper presents a method to generate high-resolution analyses of land-surface variables, such as surface canopy temperature, soil moisture, and snow conditions, to be used for the relaxation of lower boundary conditions in extended-range LAM simulations. The proposed method is based on performing offline simulations with an external surface model, forced with the near-surface meteorological fields derived from short-range forecast, operational analyses, and observed temperatures and humidity. Results show that the outputs of the surface model obtained in the present study have potential to improve the near-surface atmospheric fields in extended-range LAM integrations.

Machine-Thermal Coupling Stresses Analysis of the Fin-Type Structural Thermoelectric Generator

NASA Astrophysics Data System (ADS)

Zhang, Zheng; Yue, Hao; Chen, Dongbo; Qin, Delei; Chen, Zijian

2017-05-01

The design structure and heat-transfer mechanism of a thermoelectric generator (TEG) determine its body temperature state. Thermal stress and thermal deformation generated by the temperature variation directly affect the stress state of thermoelectric modules (TEMs). Therefore, the rated temperature and pressing force of TEMs are important parameters in TEG design. Here, the relationships between structural of a fin-type TEG (FTEG) and these parameters are studied by modeling and "machine-thermal" coupling simulation. An indirect calculation method is adopted in the coupling simulation. First, numerical heat transfer calculations of a three-dimensional FTEG model are conducted according to an orthogonal simulation table. The influences of structural parameters for heat transfer in the channel and outer fin temperature distribution are analyzed. The optimal structural parameters are obtained and used to simulate temperature field of the outer fins. Second, taking the thermal calculation results as the initial condition, the thermal-solid coupling calculation is adopted. The thermal stresses of outer fin, mechanical force of spring-angle pressing mechanism, and clamping force on a TEM are analyzed. The simulation results show that the heat transfer area of the inner fin and the physical parameters of the metal materials are the keys to determining the FTEG temperature field. The pressing mechanism's mechanical force can be reduced by reducing the outer fin angle. In addition, a corrugated cooling water pipe, which has cooling and spring functionality, is conducive to establishing an adaptable clamping force to avoid the TEMs being crushed by the thermal stresses in the body.

Jet stability and wall impingement flow field in a thermal striping experiment

DOE PAGES

Lomperski, S.; Obabko, A.; Merzari, E.; ...

2017-08-10

We present velocity and temperature field measurements for a 0.9 x 0.9 x 1.7 m glass tank in which two air jets at Re=10000 mix and impinge upon the lid at ambient temperature and pressure. Flow patterns are characterized across a 350 x 200 mm plane located 3 mm below the lid for two inlet geometries: 1) “extended”, in which inlet channels protrude above the tank base, and 2) “flush”, a flat base without protrusions. This minor geometry variation produced distinct changes in the lid flow field, appearing as three stagnant regions for the extended case and only one formore » flush. The dichotomy is attributed to system stability characteristics: jets are stable in the extended case and unstable for flush. In a separate set of nonisothermal tests, the impingement temperature field was measured for inlet temperature mismatches of 4 oC and jets near Re=10000. A 50 m-long fiber optic distributed temperature sensor positioned 2 mm below the lid measured at 1350 locations. Like the velocity fields, the temperature fields differ for the two inlet geometries: good thermal mixing for the flush case and subdued mixing for the extended case. Simulations with the spectral element code Nek5000 replicated the observed stability dichotomy, duplicating the number of stagnant regions observed in the experiment and matching their locations within ±10 mm. Simulation data suggests that flush case instability is due to interactions between jets and wall flows at the bottom of the tank. The clear flow dichotomy exhibited by this two-jet setup presents an unambiguous case to test the ability of CFD tools to predict subtle flow field changes driven by minor modifications in geometry in the context of thermal striping.« less

Jet stability and wall impingement flow field in a thermal striping experiment

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

Lomperski, S.; Obabko, A.; Merzari, E.

We present velocity and temperature field measurements for a 0.9 x 0.9 x 1.7 m glass tank in which two air jets at Re=10000 mix and impinge upon the lid at ambient temperature and pressure. Flow patterns are characterized across a 350 x 200 mm plane located 3 mm below the lid for two inlet geometries: 1) “extended”, in which inlet channels protrude above the tank base, and 2) “flush”, a flat base without protrusions. This minor geometry variation produced distinct changes in the lid flow field, appearing as three stagnant regions for the extended case and only one formore » flush. The dichotomy is attributed to system stability characteristics: jets are stable in the extended case and unstable for flush. In a separate set of nonisothermal tests, the impingement temperature field was measured for inlet temperature mismatches of 4 oC and jets near Re=10000. A 50 m-long fiber optic distributed temperature sensor positioned 2 mm below the lid measured at 1350 locations. Like the velocity fields, the temperature fields differ for the two inlet geometries: good thermal mixing for the flush case and subdued mixing for the extended case. Simulations with the spectral element code Nek5000 replicated the observed stability dichotomy, duplicating the number of stagnant regions observed in the experiment and matching their locations within ±10 mm. Simulation data suggests that flush case instability is due to interactions between jets and wall flows at the bottom of the tank. The clear flow dichotomy exhibited by this two-jet setup presents an unambiguous case to test the ability of CFD tools to predict subtle flow field changes driven by minor modifications in geometry in the context of thermal striping.« less

Quality and sensitivity of high-resolution numerical simulation of urban heat islands

NASA Astrophysics Data System (ADS)

Li, Dan; Bou-Zeid, Elie

2014-05-01

High-resolution numerical simulations of the urban heat island (UHI) effect with the widely-used Weather Research and Forecasting (WRF) model are assessed. Both the sensitivity of the results to the simulation setup, and the quality of the simulated fields as representations of the real world, are investigated. Results indicate that the WRF-simulated surface temperatures are more sensitive to the planetary boundary layer (PBL) scheme choice during nighttime, and more sensitive to the surface thermal roughness length parameterization during daytime. The urban surface temperatures simulated by WRF are also highly sensitive to the urban canopy model (UCM) used. The implementation in this study of an improved UCM (the Princeton UCM or PUCM) that allows the simulation of heterogeneous urban facets and of key hydrological processes, together with the so-called CZ09 parameterization for the thermal roughness length, significantly reduce the bias (<1.5 °C) in the surface temperature fields as compared to satellite observations during daytime. The boundary layer potential temperature profiles are captured by WRF reasonable well at both urban and rural sites; the biases in these profiles relative to aircraft-mounted senor measurements are on the order of 1.5 °C. Changing UCMs and PBL schemes does not alter the performance of WRF in reproducing bulk boundary layer temperature profiles significantly. The results illustrate the wide range of urban environmental conditions that various configurations of WRF can produce, and the significant biases that should be assessed before inferences are made based on WRF outputs. The optimal set-up of WRF-PUCM developed in this paper also paves the way for a confident exploration of the city-scale impacts of UHI mitigation strategies in the companion paper (Li et al 2014).

Rising temperatures reduce global wheat production

NASA Astrophysics Data System (ADS)

Asseng, S.; Ewert, F.; Martre, P.; Rötter, R. P.; Lobell, D. B.; Cammarano, D.; Kimball, B. A.; Ottman, M. J.; Wall, G. W.; White, J. W.; Reynolds, M. P.; Alderman, P. D.; Prasad, P. V. V.; Aggarwal, P. K.; Anothai, J.; Basso, B.; Biernath, C.; Challinor, A. J.; de Sanctis, G.; Doltra, J.; Fereres, E.; Garcia-Vila, M.; Gayler, S.; Hoogenboom, G.; Hunt, L. A.; Izaurralde, R. C.; Jabloun, M.; Jones, C. D.; Kersebaum, K. C.; Koehler, A.-K.; Müller, C.; Naresh Kumar, S.; Nendel, C.; O'Leary, G.; Olesen, J. E.; Palosuo, T.; Priesack, E.; Eyshi Rezaei, E.; Ruane, A. C.; Semenov, M. A.; Shcherbak, I.; Stöckle, C.; Stratonovitch, P.; Streck, T.; Supit, I.; Tao, F.; Thorburn, P. J.; Waha, K.; Wang, E.; Wallach, D.; Wolf, J.; Zhao, Z.; Zhu, Y.

2015-02-01

Crop models are essential tools for assessing the threat of climate change to local and global food production. Present models used to predict wheat grain yield are highly uncertain when simulating how crops respond to temperature. Here we systematically tested 30 different wheat crop models of the Agricultural Model Intercomparison and Improvement Project against field experiments in which growing season mean temperatures ranged from 15 °C to 32 °C, including experiments with artificial heating. Many models simulated yields well, but were less accurate at higher temperatures. The model ensemble median was consistently more accurate in simulating the crop temperature response than any single model, regardless of the input information used. Extrapolating the model ensemble temperature response indicates that warming is already slowing yield gains at a majority of wheat-growing locations. Global wheat production is estimated to fall by 6% for each °C of further temperature increase and become more variable over space and time.

Rising Temperatures Reduce Global Wheat Production

NASA Technical Reports Server (NTRS)

Asseng, S.; Ewert, F.; Martre, P.; Rötter, R. P.; Lobell, D. B.; Cammarano, D.; Kimball, B. A.; Ottman, M. J.; Wall, G. W.; White, J. W.;

Electric-field-induced modification of the magnon energy, exchange interaction, and curie temperature of transition-metal thin films.

PubMed

Oba, M; Nakamura, K; Akiyama, T; Ito, T; Weinert, M; Freeman, A J

2015-03-13

The electric-field-induced modification in the Curie temperature of prototypical transition-metal thin films with the perpendicular magnetic easy axis, a freestanding Fe(001) monolayer and a Co monolayer on Pt(111), is investigated by first-principles calculations of spin-spiral structures in an external electric field (E field). An applied E field is found to modify the magnon (spin-spiral formation) energy; the change arises from the E-field-induced screening charge density in the spin-spiral states due to p-d hybridizations. The Heisenberg exchange parameters obtained from the magnon energy suggest an E-field-induced modification of the Curie temperature, which is demonstrated via Monte Carlo simulations that take the magnetocrystalline anisotropy into account.

The Hot Serial Cereal Experiment for modeling wheat response to temperature: field experiments and AgMIP-Wheat multi-model simulations

USDA-ARS?s Scientific Manuscript database

The data set reported here includes the part of a Hot Serial Cereal Experiment (HSC) experiment recently used in the AgMIP-Wheat project to analyze the uncertainty of 30 wheat models and quantify their response to temperature. The HSC experiment was conducted in an open-field in a semiarid environme...

Simulation of self-generated magnetic fields in an inertial fusion hohlraum environment

DOE PAGES

Farmer, W. A.; Koning, J. M.; Strozzi, D. J.; ...

2017-05-09

Here, we present radiation-hydrodynamic simulations of self-generated magnetic field in a hohlraum, which show an increased temperature in large regions of the underdense fill. Non-parallel gradients in electron density and temperature in a laser-heated plasma give rise to a self-generated field by the “Biermann battery” mechanism. Here, HYDRA simulations of three hohlraum designs on the National Ignition Facility are reported, which use a partial magnetohydrodynamic (MHD) description that includes the self-generated source term, resistive dissipation, and advection of the field due to both the plasma flow and the Nernst term. Anisotropic electron heat conduction parallel and perpendicular to the fieldmore » is included, but not the Righi-Leduc heat flux. The field strength is too small to compete significantly with plasma pressure, but affects plasma conditions by reducing electron heat conduction perpendicular to the field. Significant reductions in heat flux can occur, especially for high Z plasma, at modest values of the Hall parameter, Ω eτ ei≲1, where Ω e = eB/m ec and τ ei is the electron-ion collision time. The inclusion of MHD in the simulations leads to 1 keV hotter electron temperatures in the laser entrance hole and high- Z wall blowoff, which reduces inverse-bremsstrahlung absorption of the laser beam. This improves propagation of the inner beams pointed at the hohlraum equator, resulting in a symmetry shift of the resulting capsule implosion towards a more prolate shape. The time of peak x-ray production in the capsule shifts later by only 70 ps (within experimental uncertainty), but a decomposition of the hotspot shape into Legendre moments indicates a shift of P 2/P 0 by ~20%. As a result, this indicates that MHD cannot explain why simulated x-ray drive exceeds measured levels, but may be partially responsible for failures to correctly model the symmetry.« less

Generation of Electron Whistler Waves at the Mirror Mode Magnetic Holes: MMS Observations and PIC Simulation

NASA Astrophysics Data System (ADS)

Ahmadi, N.; Wilder, F. D.; Usanova, M.; Ergun, R.; Argall, M. R.; Goodrich, K.; Eriksson, S.; Germaschewski, K.; Torbert, R. B.; Lindqvist, P. A.; Le Contel, O.; Khotyaintsev, Y. V.; Strangeway, R. J.; Schwartz, S. J.; Giles, B. L.; Burch, J.

2017-12-01

The Magnetospheric Multiscale (MMS) mission observed electron whistler waves at the center and at the gradients of magnetic holes on the dayside magnetosheath. The magnetic holes are nonlinear mirror structures which are anti-correlated with particle density. We used expanding box Particle-in-cell simulations and produced the mirror instability magnetic holes. We show that the electron whistler waves can be generated at the gradients and the center of magnetic holes in our simulations which is in agreement with MMS observations. At the nonlinear regime of mirror instability, the proton and electron temperature anisotropy are anti-correlated with the magnetic hole. The plasma is unstable to electron whistler waves at the minimum of the magnetic field structures. In the saturation regime of mirror instability, when magnetic holes are dominant, electron temperature anisotropy develops at the edges of the magnetic holes and electrons become isotropic at the magnetic field minimum. We investigate the possible mechanism for enhancing the electron temperature anisotropy and analyze the electron pitch angle distributions and electron distribution functions in our simulations and compare it with MMS observations.

Thermal denaturing of mutant lysozyme with both the OPLSAA and the CHARMM force fields.

PubMed

Eleftheriou, Maria; Germain, Robert S; Royyuru, Ajay K; Zhou, Ruhong

2006-10-18

Biomolecular simulations enabled by massively parallel supercomputers such as BlueGene/L promise to bridge the gap between the currently accessible simulation time scale and the experimental time scale for many important protein folding processes. In this study, molecular dynamics simulations were carried out for both the wild-type and the mutant hen lysozyme (TRP62GLY) to study the single mutation effect on lysozyme stability and misfolding. Our thermal denaturing simulations at 400-500 K with both the OPLSAA and the CHARMM force fields show that the mutant structure is indeed much less stable than the wild-type, which is consistent with the recent urea denaturing experiment (Dobson et al. Science 2002, 295, 1719-1722; Nature 2003, 424, 783-788). Detailed results also reveal that the single mutation TRP62GLY first induces the loss of native contacts in the beta-domain region of the lysozyme protein at high temperatures, and then the unfolding process spreads into the alpha-domain region through Helix C. Even though the OPLSAA force field in general shows a more stable protein structure than does the CHARMM force field at high temperatures, the two force fields examined here display qualitatively similar results for the misfolding process, indicating that the thermal denaturing of the single mutation is robust and reproducible with various modern force fields.

Two-dimensional Nonlinear Simulations of Temperature-anisotropy Instabilities with a Proton-alpha Drift

NASA Astrophysics Data System (ADS)

Markovskii, S. A.; Chandran, Benjamin D. G.; Vasquez, Bernard J.

2018-04-01

We present two-dimensional hybrid simulations of proton-cyclotron and mirror instabilities in a proton-alpha plasma with particle-in-cell ions and a neutralizing electron fluid. The instabilities are driven by the protons with temperature perpendicular to the background magnetic field larger than the parallel temperature. The alpha particles with initially isotropic temperature have a nonzero drift speed with respect to the protons. The minor ions are known to influence the relative effect of the proton-cyclotron and mirror instabilities. In this paper, we show that the mirror mode can dominate the power spectrum at the nonlinear stage even if its linear growth rate is significantly lower than that of the proton-cyclotron mode. The proton-cyclotron instability combined with the alpha-proton drift is a possible cause of the nonzero magnetic helicity observed in the solar wind for fluctuations propagating nearly parallel to the magnetic field. Our simulations generally confirm this concept but reveal a complex helicity spectrum that is not anticipated from the linear theory of the instability.

Experimental and simulation studies of neutron-induced single-event burnout in SiC power diodes

NASA Astrophysics Data System (ADS)

Shoji, Tomoyuki; Nishida, Shuichi; Hamada, Kimimori; Tadano, Hiroshi

2014-01-01

Neutron-induced single-event burnouts (SEBs) of silicon carbide (SiC) power diodes have been investigated by white neutron irradiation experiments and transient device simulations. It was confirmed that a rapid increase in lattice temperature leads to formation of crown-shaped aluminum and cracks inside the device owing to expansion stress when the maximum lattice temperature reaches the sublimation temperature. SEB device simulation indicated that the peak lattice temperature is located in the vicinity of the n-/n+ interface and anode contact, and that the positions correspond to a hammock-like electric field distribution caused by the space charge effect. Moreover, the locations of the simulated peak lattice temperature agree closely with the positions of the observed destruction traces. Furthermore, it was theoretically demonstrated that the period of temperature increase of a SiC power device is two orders of magnitude less than that of a Si power device, using a thermal diffusion equation.

Spin-up simulation behaviors in a climate model to build a basement of long-time simulation

NASA Astrophysics Data System (ADS)

Lee, J.; Xue, Y.; De Sales, F.

2015-12-01

It is essential to develop start-up information when conducting long-time climate simulation. In case that the initial condition is already available from the previous simulation of same type model this does not necessary; however, if not, model needs spin-up simulation to have adjusted and balanced initial condition with the model climatology. Otherwise, a severe spin may take several years. Some of model variables such as deep soil temperature fields and temperature in ocean deep layers in initial fields would affect model's further long-time simulation due to their long residual memories. To investigate the important factor for spin-up simulation in producing an atmospheric initial condition, we had conducted two different spin-up simulations when no atmospheric condition is available from exist datasets. One simulation employed atmospheric global circulation model (AGCM), namely Global Forecast System (GFS) of National Center for Environmental Prediction (NCEP), while the other employed atmosphere-ocean coupled global circulation model (CGCM), namely Climate Forecast System (CFS) of NCEP. Both models share the atmospheric modeling part and only difference is in applying of ocean model coupling, which is conducted by Modular Ocean Model version 4 (MOM4) of Geophysical Fluid Dynamics Laboratory (GFDL) in CFS. During a decade of spin-up simulation, prescribed sea-surface temperature (SST) fields of target year is forced to the GFS daily basis, while CFS digested only first time step ocean condition and freely iterated for the rest of the period. Both models were forced by CO2 condition and solar constant given from the target year. Our analyses of spin-up simulation results indicate that freely conducted interaction between the ocean and the atmosphere is more helpful to produce the initial condition for the target year rather than produced by fixed SST forcing. Since the GFS used prescribed forcing exactly given from the target year, this result is unexpected. The detail analysis will be discussed in this presentation.

Evaluation of urban surface parameterizations in the WRF model using measurements during the Texas Air Quality Study 2006 field campaign

NASA Astrophysics Data System (ADS)

Lee, S.-H.; Kim, S.-W.; Angevine, W. M.; Bianco, L.; McKeen, S. A.; Senff, C. J.; Trainer, M.; Tucker, S. C.; Zamora, R. J.

2010-10-01

The impact of urban surface parameterizations in the WRF (Weather Research and Forecasting) model on the simulation of local meteorological fields is investigated. The Noah land surface model (LSM), a modified LSM, and a single-layer urban canopy model (UCM) have been compared, focusing on urban patches. The model simulations were performed for 6 days from 12 August to 17 August during the Texas Air Quality Study 2006 field campaign. Analysis was focused on the Houston-Galveston metropolitan area. The model simulated temperature, wind, and atmospheric boundary layer (ABL) height were compared with observations from surface meteorological stations (Continuous Ambient Monitoring Stations, CAMS), wind profilers, the NOAA Twin Otter aircraft, and the NOAA Research Vessel Ronald H. Brown. The UCM simulation showed better results in the comparison of ABL height and surface temperature than the LSM simulations, whereas the original LSM overestimated both the surface temperature and ABL height significantly in urban areas. The modified LSM, which activates hydrological processes associated with urban vegetation mainly through transpiration, slightly reduced warm and high biases in surface temperature and ABL height. A comparison of surface energy balance fluxes in an urban area indicated the UCM reproduces a realistic partitioning of sensible heat and latent heat fluxes, consequently improving the simulation of urban boundary layer. However, the LSMs have a higher Bowen ratio than the observation due to significant suppression of latent heat flux. The comparison results suggest that the subgrid heterogeneity by urban vegetation and urban morphological characteristics should be taken into account along with the associated physical parameterizations for accurate simulation of urban boundary layer if the region of interest has a large fraction of vegetation within the urban patch. Model showed significant discrepancies in the specific meteorological conditions when nocturnal low-level jets exist and a thermal internal boundary layer over water forms.

Numerical Simulation and Experimental Casting of Nickel-Based Single-Crystal Superalloys by HRS and LMC Directional Solidification Processes

NASA Astrophysics Data System (ADS)

Yan, Xuewei; Wang, Run'nan; Xu, Qingyan; Liu, Baicheng

2017-04-01

Mathematical models for dynamic heat radiation and convection boundary in directional solidification processes are established to simulate the temperature fields. Cellular automaton (CA) method and Kurz-Giovanola-Trivedi (KGT) growth model are used to describe nucleation and growth. Primary dendritic arm spacing (PDAS) and secondary dendritic arm spacing (SDAS) are calculated by the Ma-Sham (MS) and Furer-Wunderlin (FW) models respectively. The mushy zone shape is investigated based on the temperature fields, for both high-rate solidification (HRS) and liquid metal cooling (LMC) processes. The evolution of the microstructure and crystallographic orientation are analyzed by simulation and electron back-scattered diffraction (EBSD) technique, respectively. Comparison of the simulation results from PDAS and SDAS with experimental results reveals a good agreement with each other. The results show that LMC process can provide both dendritic refinement and superior performance for castings due to the increased cooling rate and thermal gradient.

T-mixer operating with water at different temperatures: Simulation and stability analysis

NASA Astrophysics Data System (ADS)

Siconolfi, L.; Camarri, S.; Salvetti, M. V.

2018-03-01

In this paper we investigate the transition from the vortex to the engulfment regime in a T-mixer when the two entering flows have different viscosity. In particular we consider as working fluid water entering the two inlet channels of the mixer at two different temperatures. Contrary to the isothermal case, at low Reynolds numbers the vortex regime shows only a single reflectional symmetry, due to the nonhomogeneous distribution of the viscosity. Increasing the Reynolds number, a symmetry-breaking bifurcation drives the system to a new steady flow configuration, usually called the engulfment regime, similar to what it is possible to observe in an isothermal case. This flow regime is associated with an increase of the mixing between the two inlet streams. It is shown by direct numerical simulation (DNS) and by stability analysis that the engulfment regime is promoted by the temperature difference. Starting from the DNSs, the resulting flow fields are analyzed in detail considering different temperature jumps between the two inlet boundaries. Furthermore, dedicated linear stability analyses are carried out to investigate the instability mechanism associated with the occurrence of the engulfment regime. In particular, similarly to the case without temperature differences, the onset of engulfment is driven by the momentum equation, and the temperature field does not lead to any additional instability mechanism. However, the existence of a temperature field leads to quantitative changes of the stability characteristics and of the resulting flow fields via a variation of the viscosity coefficient.

Dynamic Reconstruction Algorithm of Three-Dimensional Temperature Field Measurement by Acoustic Tomography

PubMed Central

Li, Yanqiu; Liu, Shi; Inaki, Schlaberg H.

2017-01-01

Accuracy and speed of algorithms play an important role in the reconstruction of temperature field measurements by acoustic tomography. Existing algorithms are based on static models which only consider the measurement information. A dynamic model of three-dimensional temperature reconstruction by acoustic tomography is established in this paper. A dynamic algorithm is proposed considering both acoustic measurement information and the dynamic evolution information of the temperature field. An objective function is built which fuses measurement information and the space constraint of the temperature field with its dynamic evolution information. Robust estimation is used to extend the objective function. The method combines a tunneling algorithm and a local minimization technique to solve the objective function. Numerical simulations show that the image quality and noise immunity of the dynamic reconstruction algorithm are better when compared with static algorithms such as least square method, algebraic reconstruction technique and standard Tikhonov regularization algorithms. An effective method is provided for temperature field reconstruction by acoustic tomography. PMID:28895930

Simulation study on the maximum continuous working condition of a power plant boiler

NASA Astrophysics Data System (ADS)

Wang, Ning; Han, Jiting; Sun, Haitian; Cheng, Jiwei; Jing, Ying'ai; Li, Wenbo

2018-05-01

First of all, the boiler is briefly introduced to determine the mathematical model and the boundary conditions, then the boiler under the BMCR condition numerical simulation study, and then the BMCR operating temperature field analysis. According to the boiler actual test results and the hot BMCR condition boiler output test results, the simulation results are verified. The main conclusions are as follows: the position and size of the inscribed circle in the furnace and the furnace temperature distribution and test results under different elevation are compared and verified; Accuracy of numerical simulation results.

Determination of time of death in forensic science via a 3-D whole body heat transfer model.

PubMed

Bartgis, Catherine; LeBrun, Alexander M; Ma, Ronghui; Zhu, Liang

2016-12-01

This study is focused on developing a whole body heat transfer model to accurately simulate temperature decay in a body postmortem. The initial steady state temperature field is simulated first and the calculated weighted average body temperature is used to determine the overall heat transfer coefficient at the skin surface, based on thermal equilibrium before death. The transient temperature field postmortem is then simulated using the same boundary condition and the temperature decay curves at several body locations are generated for a time frame of 24h. For practical purposes, curve fitting techniques are used to replace the simulations with a proposed exponential formula with an initial time delay. It is shown that the obtained temperature field in the human body agrees very well with that in the literature. The proposed exponential formula provides an excellent fit with an R 2 value larger than 0.998. For the brain and internal organ sites, the initial time delay varies from 1.6 to 2.9h, when the temperature at the measuring site does not change significantly from its original value. The curve-fitted time constant provides the measurement window after death to be between 8h and 31h if the brain site is used, while it increases 60-95% at the internal organ site. The time constant is larger when the body is exposed to colder air, since a person usually wears more clothing when it is cold outside to keep the body warm and comfortable. We conclude that a one-size-fits-all approach would lead to incorrect estimation of time of death and it is crucial to generate a database of cooling curves taking into consideration all the important factors such as body size and shape, environmental conditions, etc., therefore, leading to accurate determination of time of death. Copyright © 2016 Elsevier Ltd. All rights reserved.

Monte Carlo simulation of dynamic phase transitions and frequency dispersions of hysteresis curves in core/shell ferrimagnetic cubic nanoparticle

NASA Astrophysics Data System (ADS)

Vatansever, Erol

2017-05-01

By means of Monte Carlo simulation method with Metropolis algorithm, we elucidate the thermal and magnetic phase transition behaviors of a ferrimagnetic core/shell nanocubic system driven by a time dependent magnetic field. The particle core is composed of ferromagnetic spins, and it is surrounded by an antiferromagnetic shell. At the interface of the core/shell particle, we use antiferromagnetic spin-spin coupling. We simulate the nanoparticle using classical Heisenberg spins. After a detailed analysis, our Monte Carlo simulation results suggest that present system exhibits unusual and interesting magnetic behaviors. For example, at the relatively lower temperature regions, an increment in the amplitude of the external field destroys the antiferromagnetism in the shell part of the nanoparticle, leading to a ground state with ferromagnetic character. Moreover, particular attention has been dedicated to the hysteresis behaviors of the system. For the first time, we show that frequency dispersions can be categorized into three groups for a fixed temperature for finite core/shell systems, as in the case of the conventional bulk systems under the influence of an oscillating magnetic field.

METEOROLOGICAL AND TRANSPORT MODELING

EPA Science Inventory

Advanced air quality simulation models, such as CMAQ, as well as other transport and dispersion models, require accurate and detailed meteorology fields. These meteorology fields include primary 3-dimensional dynamical and thermodynamical variables (e.g., winds, temperature, mo...

Chiral phase transition of three flavor QCD with nonzero magnetic field using standard staggered fermions

NASA Astrophysics Data System (ADS)

Tomiya, Akio; Ding, Heng-Tong; Mukherjee, Swagato; Schmidt, Christian; Wang, Xiao-Dan

2018-03-01

Lattice simulations for (2+1)-flavor QCD with external magnetic field demon-strated that the quark mass is one of the important parameters responsible for the (inverse) magnetic catalysis. We discuss the dependences of chiral condensates and susceptibilities, the Polyakov loop on the magnetic field and quark mass in three degenerate flavor QCD. The lattice simulations are performed using standard staggered fermions and the plaquette action with spatial sizes Nσ = 16 and 24 and a fixed temporal size Nτ = 4. The value of the quark masses are chosen such that the system undergoes a first order chiral phase transition and crossover with zero magnetic field. We find that in light mass regime, the quark chiral condensate undergoes magnetic catalysis in the whole temperature region and the phase transition tend to become stronger as the magnetic field increases. In crossover regime, deconfinement transition temperature is shifted by the magnetic field when quark mass ma is less than 0:4. The lattice cutoff effects are also discussed.

Uncertainty of Wheat Water Use: Simulated Patterns and Sensitivity to Temperature and CO2

NASA Technical Reports Server (NTRS)

Cammarano, Davide; Roetter, Reimund P.; Asseng, Senthold; Ewert, Frank; Wallach, Daniel; Martre, Pierre; Hatfield, Jerry L.; Jones, James W.; Rosenzweig, Cynthia E.; Ruane, Alex C.;

Benchmark Data Set for Wheat Growth Models: Field Experiments and AgMIP Multi-Model Simulations.

NASA Technical Reports Server (NTRS)

Asseng, S.; Ewert, F.; Martre, P.; Rosenzweig, C.; Jones, J. W.; Hatfield, J. L.; Ruane, A. C.; Boote, K. J.; Thorburn, P.J.; Rotter, R. P.

2015-01-01

The data set includes a current representative management treatment from detailed, quality-tested sentinel field experiments with wheat from four contrasting environments including Australia, The Netherlands, India and Argentina. Measurements include local daily climate data (solar radiation, maximum and minimum temperature, precipitation, surface wind, dew point temperature, relative humidity, and vapor pressure), soil characteristics, frequent growth, nitrogen in crop and soil, crop and soil water and yield components. Simulations include results from 27 wheat models and a sensitivity analysis with 26 models and 30 years (1981-2010) for each location, for elevated atmospheric CO2 and temperature changes, a heat stress sensitivity analysis at anthesis, and a sensitivity analysis with soil and crop management variations and a Global Climate Model end-century scenario.

Measurements and modeling of radio frequency field structures in a helicon plasma

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

Lee, C. A.; Chen, Guangye; Arefiev, A. V.

2011-01-01

Measurements of the radio frequency (rf) field structure, plasma density, and electron temperature are presented for a 1 kW argon helicon plasma source. The measured profiles change considerably when the equilibrium magnetic field is reversed. The measured rf fields are identified as fields of radially localized helicon waves, which propagate in the axial direction. The rf field structure is compared to the results of two-dimensional cold plasma full-wave simulations for the measured density profiles. Electron collision frequency is adjusted in the simulations to match the simulated and measured field profiles. The resulting frequency is anomalously high, which is attributed tomore » the excitation of an ion-acoustic instability. The calculated power deposition is insensitive to the collision frequency and accounts for most of the power supplied by the rf-generator.« less

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.

Self-consistent fluid modeling and simulation on a pulsed microwave atmospheric-pressure argon plasma jet

NASA Astrophysics Data System (ADS)

Chen, Zhaoquan; Yin, Zhixiang; Chen, Minggong; Hong, Lingli; Xia, Guangqing; Hu, Yelin; Huang, Yourui; Liu, Minghai; Kudryavtsev, A. A.

2014-10-01

In present study, a pulsed lower-power microwave-driven atmospheric-pressure argon plasma jet has been introduced with the type of coaxial transmission line resonator. The plasma jet plume is with room air temperature, even can be directly touched by human body without any hot harm. In order to study ionization process of the proposed plasma jet, a self-consistent hybrid fluid model is constructed in which Maxwell's equations are solved numerically by finite-difference time-domain method and a fluid model is used to study the characteristics of argon plasma evolution. With a Guass type input power function, the spatio-temporal distributions of the electron density, the electron temperature, the electric field, and the absorbed power density have been simulated, respectively. The simulation results suggest that the peak values of the electron temperature and the electric field are synchronous with the input pulsed microwave power but the maximum quantities of the electron density and the absorbed power density are lagged to the microwave power excitation. In addition, the pulsed plasma jet excited by the local enhanced electric field of surface plasmon polaritons should be the discharge mechanism of the proposed plasma jet.

Simulation of solidification in a Bridgman cell

NASA Technical Reports Server (NTRS)

Dakhoul, Y. M.; Farmer, R. C.

1984-01-01

Bridgman-type crystal growth techniques are attractive methods for producing homogeneous, high-quality infrared detector and junction device materials. However, crystal imperfections and interface shapes still must be controlled through modification of the temperature and concentration gradients created during solidification. The objective of this investigation was to study the temperature fields generated by various cell and heatpipe configurations and operating conditions. Continuum's numerical model of the temperature, species concentrations, and velocity fields was used to describe the thermal characteristics of Bridgman cell operation.

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

Simulation and automation of thermal processes in oil well

NASA Astrophysics Data System (ADS)

Kostarev, N. A.; Trufanova, N. M.

2018-03-01

The paper presents a two-dimensional mathematical model and a numerical analysis of heat and mass transfer processes in an oil well. The proposed and implemented mathematical model of the process of heat and mass transfer in an oil well allows analyzing the temperature field in the whole space of an oil well and is suitable for any fields equipped with an electric centrifugal pump. Temperature and velocity fields were obtained, as well as the distribution of temperature on the wall of the pump tubing along the depth of the well. On the basis of the obtained temperature fields, the modes of periodic heating of the well by the heating cable were developed. Recommendations are given on the choice of power parameters and the time of warming up the well.

Impact of input field characteristics on vibrational femtosecond coherent anti-Stokes Raman scattering thermometry.

PubMed

Yang, Chao-Bo; He, Ping; Escofet-Martin, David; Peng, Jiang-Bo; Fan, Rong-Wei; Yu, Xin; Dunn-Rankin, Derek

2018-01-10

In this paper, three ultrashort-pulse coherent anti-Stokes Raman scattering (CARS) thermometry approaches are summarized with a theoretical time-domain model. The difference between the approaches can be attributed to variations in the input field characteristics of the time-domain model. That is, all three approaches of ultrashort-pulse (CARS) thermometry can be simulated with the unified model by only changing the input fields features. As a specific example, the hybrid femtosecond/picosecond CARS is assessed for its use in combustion flow diagnostics; thus, the examination of the input field has an impact on thermometry focuses on vibrational hybrid femtosecond/picosecond CARS. Beginning with the general model of ultrashort-pulse CARS, the spectra with different input field parameters are simulated. To analyze the temperature measurement error brought by the input field impacts, the spectra are fitted and compared to fits, with the model neglecting the influence introduced by the input fields. The results demonstrate that, however the input pulses are depicted, temperature errors still would be introduced during an experiment. With proper field characterization, however, the significance of the error can be reduced.

Quantum Monte Carlo simulation of the ferroelectric or ferrielectric nanowire with core shell morphology

NASA Astrophysics Data System (ADS)

Feraoun, A.; Zaim, A.; Kerouad, M.

2016-09-01

By using the Quantum Monte Carlo simulation; the electric properties of a nanowire, consisting of a ferroelectric core of spin-1/2 surrounded by a ferroelectric shell of spin-1/2 with ferro- or anti-ferroelectric interfacial coupling have been studied within the framework of the Transverse Ising Model (TIM). We have examined the effects of the shell coupling Js, the interfacial coupling JInt, the transverse field Ω, and the temperature T on the hysteresis behavior and on the electric properties of the system. The remanent polarization and the coercive field as a function of the transverse field and the temperature are examined. A number of characteristic behavior have been found such as the appearance of triple hysteresis loops for appropriate values of the system parameters.

New force field for molecular simulation of guanidinium-based ionic liquids.

PubMed

Liu, Xiaomin; Zhang, Suojiang; Zhou, Guohui; Wu, Guangwen; Yuan, Xiaoliang; Yao, Xiaoqian

2006-06-22

An all-atom force field was proposed for a new class of room temperature ionic liquids (RTILs), N,N,N',N'-tetramethylguanidinium (TMG) RTILs. The model is based on the AMBER force field with modifications on several parameters. The refinements include (1) fitting the vibration frequencies for obtaining force coefficients of bonds and angles against the data obtained by ab initio calculations and/or by experiments and (2) fitting the torsion energy profiles of dihedral angles for obtaining torsion parameters against the data obtained by ab initio calculations. To validate the force field, molecular dynamics (MD) simulations at different temperatures were performed for five kinds of RTILs, where TMG acts as a cation and formate, lactate, perchlorate, trifluoroacetate, and trifluoromethylsulfonate act as anions. The predicted densities were in good agreement with the experimental data. Radial distribution functions (RDFs) and spatial distribution functions (SDFs) were investigated to depict the microscopic structures of the RTILs.

Mirror Instability in the Turbulent Solar Wind

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

Hellinger, Petr; Landi, Simone; Verdini, Andrea

2017-04-01

The relationship between a decaying strong turbulence and the mirror instability in a slowly expanding plasma is investigated using two-dimensional hybrid expanding box simulations. We impose an initial ambient magnetic field perpendicular to the simulation box, and we start with a spectrum of large-scale, linearly polarized, random-phase Alfvénic fluctuations that have energy equipartition between kinetic and magnetic fluctuations and a vanishing correlation between the two fields. A turbulent cascade rapidly develops, magnetic field fluctuations exhibit a Kolmogorov-like power-law spectrum at large scales and a steeper spectrum at sub-ion scales. The imposed expansion (taking a strictly transverse ambient magnetic field) leadsmore » to the generation of an important perpendicular proton temperature anisotropy that eventually drives the mirror instability. This instability generates large-amplitude, nonpropagating, compressible, pressure-balanced magnetic structures in a form of magnetic enhancements/humps that reduce the perpendicular temperature anisotropy.« less

Magnetohydrodynamic simulations of hypersonic flow over a cylinder using axial- and transverse-oriented magnetic dipoles.

PubMed

Guarendi, Andrew N; Chandy, Abhilash J

2013-01-01

Numerical simulations of magnetohydrodynamic (MHD) hypersonic flow over a cylinder are presented for axial- and transverse-oriented dipoles with different strengths. ANSYS CFX is used to carry out calculations for steady, laminar flows at a Mach number of 6.1, with a model for electrical conductivity as a function of temperature and pressure. The low magnetic Reynolds number (<1) calculated based on the velocity and length scales in this problem justifies the quasistatic approximation, which assumes negligible effect of velocity on magnetic fields. Therefore, the governing equations employed in the simulations are the compressible Navier-Stokes and the energy equations with MHD-related source terms such as Lorentz force and Joule dissipation. The results demonstrate the ability of the magnetic field to affect the flowfield around the cylinder, which results in an increase in shock stand-off distance and reduction in overall temperature. Also, it is observed that there is a noticeable decrease in drag with the addition of the magnetic field.

Insight into the Li{sub 2}CO{sub 3}–K{sub 2}CO{sub 3} eutectic mixture from classical molecular dynamics: Thermodynamics, structure, and dynamics

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

Corradini, Dario; Vuilleumier, Rodolphe, E-mail: rodolphe.vuilleumier@ens.fr; Sorbonne Universités, UPMC Univ. Paris 06, PASTEUR, 75005 Paris

We use molecular dynamics simulations to study the thermodynamics, structure, and dynamics of the Li{sub 2}CO{sub 3}–K{sub 2}CO{sub 3} (62:38 mol. %) eutectic mixture. We present a new classical non-polarizable force field for this molten salt mixture, optimized using experimental and first principles molecular dynamics simulations data as reference. This simple force field allows efficient molecular simulations of phenomena at long time scales. We use this optimized force field to describe the behavior of the eutectic mixture in the 900–1100 K temperature range, at pressures between 0 and 5 GPa. After studying the equation of state in these thermodynamic conditions, wemore » present molecular insight into the structure and dynamics of the melt. In particular, we present an analysis of the temperature and pressure dependence of the eutectic mixture’s self-diffusion coefficients, viscosity, and ionic conductivity.« less

Magnetohydrodynamic Simulations of Hypersonic Flow over a Cylinder Using Axial- and Transverse-Oriented Magnetic Dipoles

PubMed Central

Guarendi, Andrew N.; Chandy, Abhilash J.

2013-01-01

Numerical simulations of magnetohydrodynamic (MHD) hypersonic flow over a cylinder are presented for axial- and transverse-oriented dipoles with different strengths. ANSYS CFX is used to carry out calculations for steady, laminar flows at a Mach number of 6.1, with a model for electrical conductivity as a function of temperature and pressure. The low magnetic Reynolds number (≪1) calculated based on the velocity and length scales in this problem justifies the quasistatic approximation, which assumes negligible effect of velocity on magnetic fields. Therefore, the governing equations employed in the simulations are the compressible Navier-Stokes and the energy equations with MHD-related source terms such as Lorentz force and Joule dissipation. The results demonstrate the ability of the magnetic field to affect the flowfield around the cylinder, which results in an increase in shock stand-off distance and reduction in overall temperature. Also, it is observed that there is a noticeable decrease in drag with the addition of the magnetic field. PMID:24307870

Tempest Neoclassical Simulation of Fusion Edge Plasmas

NASA Astrophysics Data System (ADS)

Xu, X. Q.; Xiong, Z.; Cohen, B. I.; Cohen, R. H.; Dorr, M.; Hittinger, J.; Kerbel, G. D.; Nevins, W. M.; Rognlien, T. D.

2006-04-01

We are developing a continuum gyrokinetic full-F code, TEMPEST, to simulate edge plasmas. The geometry is that of a fully diverted tokamak and so includes boundary conditions for both closed magnetic flux surfaces and open field lines. The code, presently 4-dimensional (2D2V), includes kinetic ions and electrons, a gyrokinetic Poisson solver for electric field, and the nonlinear Fokker-Planck collision operator. Here we present the simulation results of neoclassical transport with Boltzmann electrons. In a large aspect ratio circular geometry, excellent agreement is found for neoclassical equilibrium with parallel flows in the banana regime without a temperature gradient. In divertor geometry, it is found that the endloss of particles and energy induces pedestal-like density and temperature profiles inside the magnetic separatrix and parallel flow stronger than the neoclassical predictions in the SOL. The impact of the X-point divertor geometry on the self-consistent electric field and geo-acoustic oscillations will be reported. We will also discuss the status of extending TEMPEST into a 5-D code.

The influence of convective blueshift on radial velocities of F, G, and K stars

NASA Astrophysics Data System (ADS)

Bauer, F. F.; Reiners, A.; Beeck, B.; Jeffers, S. V.

2018-02-01

Context. Apparent radial velocity (RV) signals induced by stellar surface features such as spots and plages can result in a false planet detection or hide the presence of an orbiting planet. Our ability to detect rocky exoplanets is currently limited by our understanding of such stellar signals. Aims: We model RV variations caused by active regions on the stellar surface of typical exoplanet-hosting stars of spectral type F, G, and K. We aim to understand how the stellar magnetic field strength, convective blueshift, and spot temperatures can influence RV signals caused by active regions. Methods: We use magneto-hydrodynamic (MHD) simulations for stars with spectral types F3V, a G2V, and a K5V. We quantify the impact of the magnetic field strength inside active regions on the RV measurement using the magnetic and non-magnetic FeI lines at 6165 Å and 6173 Å. We also quantify the impact of spot temperature and convective blueshift on the measured RV values. Results: Increasing the magnetic field strength increases the efficiency to suppress convection in active regions which results in an asymmetry between red- and blueshifted parts of the RV curves. A stronger suppression of convection also leads to an observed increase in RV amplitude for stronger magnetic fields. The MHD simulations predict convective motions to be faster in hotter stars. The suppression of faster convection leads to a stronger RV amplitude increase in hotter stars when the magnetic field is increased. While suppression of convection increases the asymmetry in RV curves,c a decreasing spot temperature counteracts this effect. When using observed temperatures for dark spots in our simulations we find that convective blueshift effects are negligible.

ROLE OF MAGNETIC FIELD STRENGTH AND NUMERICAL RESOLUTION IN SIMULATIONS OF THE HEAT-FLUX-DRIVEN BUOYANCY INSTABILITY

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

Avara, Mark J.; Reynolds, Christopher S.; Bogdanovic, Tamara, E-mail: mavara@astro.umd.edu, E-mail: chris@astro.umd.edu, E-mail: tamarab@gatech.edu

2013-08-20

The role played by magnetic fields in the intracluster medium (ICM) of galaxy clusters is complex. The weakly collisional nature of the ICM leads to thermal conduction that is channeled along field lines. This anisotropic heat conduction profoundly changes the instabilities of the ICM atmosphere, with convective stabilities being driven by temperature gradients of either sign. Here, we employ the Athena magnetohydrodynamic code to investigate the local non-linear behavior of the heat-flux-driven buoyancy instability (HBI) relevant in the cores of cooling-core clusters where the temperature increases with radius. We study a grid of two-dimensional simulations that span a large rangemore » of initial magnetic field strengths and numerical resolutions. For very weak initial fields, we recover the previously known result that the HBI wraps the field in the horizontal direction, thereby shutting off the heat flux. However, we find that simulations that begin with intermediate initial field strengths have a qualitatively different behavior, forming HBI-stable filaments that resist field-line wrapping and enable sustained vertical conductive heat flux at a level of 10%-25% of the Spitzer value. While astrophysical conclusions regarding the role of conduction in cooling cores require detailed global models, our local study proves that systems dominated by the HBI do not necessarily quench the conductive heat flux.« less

The application of rational approximation in the calculation of a temperature field with a non-linear surface heat-transfer coefficient during quenching for 42CrMo steel cylinder

NASA Astrophysics Data System (ADS)

Cheng, Heming; Huang, Xieqing; Fan, Jiang; Wang, Honggang

1999-10-01

The calculation of a temperature field has a great influence upon the analysis of thermal stresses and stains during quenching. In this paper, a 42CrMo steel cylinder was used an example for investigation. From the TTT diagram of the 42CrMo steel, the CCT diagram was simulated by mathematical transformation, and the volume fraction of phase constituents was calculated. The thermal physical properties were treated as functions of temperature and the volume fraction of phase constituents. The rational approximation was applied to the finite element method. The temperature field with phase transformation and non-linear surface heat-transfer coefficients was calculated using this technique, which can effectively avoid oscillationin the numerical solution for a small time step. The experimental results of the temperature field calculation coincide with the numerical solutions.

Diagnostic and model dependent uncertainty of simulated Tibetan permafrost area

USGS Publications Warehouse

Wang, A.; Moore, J.C.; Cui, Xingquan; Ji, D.; Li, Q.; Zhang, N.; Wang, C.; Zhang, S.; Lawrence, D.M.; McGuire, A.D.; Zhang, W.; Delire, C.; Koven, C.; Saito, K.; MacDougall, A.; Burke, E.; Decharme, B.

2016-01-01

 We perform a land-surface model intercomparison to investigate how the simulation of permafrost area on the Tibetan Plateau (TP) varies among six modern stand-alone land-surface models (CLM4.5, CoLM, ISBA, JULES, LPJ-GUESS, UVic). We also examine the variability in simulated permafrost area and distribution introduced by five different methods of diagnosing permafrost (from modeled monthly ground temperature, mean annual ground and air temperatures, air and surface frost indexes). There is good agreement (99 to 135  ×  104 km2) between the two diagnostic methods based on air temperature which are also consistent with the observation-based estimate of actual permafrost area (101  × 104 km2). However the uncertainty (1 to 128  ×  104 km2) using the three methods that require simulation of ground temperature is much greater. Moreover simulated permafrost distribution on the TP is generally only fair to poor for these three methods (diagnosis of permafrost from monthly, and mean annual ground temperature, and surface frost index), while permafrost distribution using air-temperature-based methods is generally good. Model evaluation at field sites highlights specific problems in process simulations likely related to soil texture specification, vegetation types and snow cover. Models are particularly poor at simulating permafrost distribution using the definition that soil temperature remains at or below 0 °C for 24 consecutive months, which requires reliable simulation of both mean annual ground temperatures and seasonal cycle, and hence is relatively demanding. Although models can produce better permafrost maps using mean annual ground temperature and surface frost index, analysis of simulated soil temperature profiles reveals substantial biases. The current generation of land-surface models need to reduce biases in simulated soil temperature profiles before reliable contemporary permafrost maps and predictions of changes in future permafrost distribution can be made for the Tibetan Plateau.

Diagnostic and model dependent uncertainty of simulated Tibetan permafrost area

NASA Astrophysics Data System (ADS)

Wang, W.; Rinke, A.; Moore, J. C.; Cui, X.; Ji, D.; Li, Q.; Zhang, N.; Wang, C.; Zhang, S.; Lawrence, D. M.; McGuire, A. D.; Zhang, W.; Delire, C.; Koven, C.; Saito, K.; MacDougall, A.; Burke, E.; Decharme, B.

2016-02-01

We perform a land-surface model intercomparison to investigate how the simulation of permafrost area on the Tibetan Plateau (TP) varies among six modern stand-alone land-surface models (CLM4.5, CoLM, ISBA, JULES, LPJ-GUESS, UVic). We also examine the variability in simulated permafrost area and distribution introduced by five different methods of diagnosing permafrost (from modeled monthly ground temperature, mean annual ground and air temperatures, air and surface frost indexes). There is good agreement (99 to 135 × 104 km2) between the two diagnostic methods based on air temperature which are also consistent with the observation-based estimate of actual permafrost area (101 × 104 km2). However the uncertainty (1 to 128 × 104 km2) using the three methods that require simulation of ground temperature is much greater. Moreover simulated permafrost distribution on the TP is generally only fair to poor for these three methods (diagnosis of permafrost from monthly, and mean annual ground temperature, and surface frost index), while permafrost distribution using air-temperature-based methods is generally good. Model evaluation at field sites highlights specific problems in process simulations likely related to soil texture specification, vegetation types and snow cover. Models are particularly poor at simulating permafrost distribution using the definition that soil temperature remains at or below 0 °C for 24 consecutive months, which requires reliable simulation of both mean annual ground temperatures and seasonal cycle, and hence is relatively demanding. Although models can produce better permafrost maps using mean annual ground temperature and surface frost index, analysis of simulated soil temperature profiles reveals substantial biases. The current generation of land-surface models need to reduce biases in simulated soil temperature profiles before reliable contemporary permafrost maps and predictions of changes in future permafrost distribution can be made for the Tibetan Plateau.

Simulation study of the structure and phase behavior of ceramide bilayers and the role of lipid head group chemistry

PubMed Central

Guo, Shan; Moore, Timothy C.; Iacovella, Christopher R.; Strickland, L. Anderson; McCabe, Clare

2014-01-01

Ceramides are known to be a key component of the stratum corneum, the outermost protective layer of the skin that controls barrier function. In this work, molecular dynamics simulations are used to examine the behavior of ceramide bilayers, focusing on non-hydroxy sphingosine (NS) and non-hydroxy phytosphingosine (NP) ceramides. Here, we propose a modified version of the CHARMM force field for ceramide simulation, which is directly compared to the more commonly used GROMOS-based force field of Berger (Biophys. J. 1997, 72); while both force fields are shown to closely match experiment from a structural standpoint at the physiological temperature of skin, the modified CHARMM force field is better able to capture the thermotropic phase transitions observed in experiment. The role of ceramide chemistry and its impact on structural ordering is examined by comparing ceramide NS to NP, using the validated CHARMM-based force field. These simulations demonstrate that changing from ceramide NS to NP results in changes to the orientation of the OH groups in the lipid headgroups. The arrangement of OH groups perpendicular to the bilayer normal for ceramide NP, verse parallel for NS, results in the formation of a distinct hydrogen bonding network, that is ultimately responsible for shifting the gel-to-liquid phase transition to higher temperature, in direct agreement with experiment. PMID:24501589

Effects of the resistivity profile on the formation of a reversed configuration and single helicity states in compressible simulations of the reversed-field pinch

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

Onofri, M.; Malara, F.

2013-10-15

Compressible magnetohydrodynamics simulations of the reversed-field pinch (RFP) are presented. Previous simulations of the RFP, including density and pressure evolution, showed that a stationary state with a reversed toroidal magnetic field could not be obtained, contrary to the results produced with numerical codes neglecting density and pressure dynamics. The simulations described in the present paper show that including density and pressure evolution, a stationary RFP configuration can be obtained if the resistivity has a radial profile steeply increasing close to the wall. Such resistivity profile is more realistic than a uniform resistivity, since the temperature at the wall is lowermore » than in the plasma core.« less

A fully electric field driven scalable magnetoelectric switching element

NASA Astrophysics Data System (ADS)

Ahmed, R.; Victora, R. H.

2018-04-01

A technique for micromagnetic simulation of the magnetoelectric (ME) effect in Cr2O3 based structures has been developed. It has been observed that the microscopic ME susceptibility differs significantly from the experimentally measured values. The deviation between the two susceptibilities becomes more prominent near the Curie temperature, affecting the operation of the device at room temperature. A fully electric field controlled ME switching element has been proposed for use at technologically interesting densities: it employs quantum mechanical exchange at the boundaries instead of the applied magnetic field needed in traditional switching schemes. After establishing temperature dependent physics-based parameters, switching performances have been studied for different temperatures, applied electric fields, and Cr2O3 cross-sections. It has been found that our proposed use of quantum mechanical exchange favors reduced electric field operation and enhanced scalability while retaining reliable thermal stability.

Electron heating in the exhaust of magnetic reconnection with negligible guide field

NASA Astrophysics Data System (ADS)

Wang, Shan; Chen, Li-Jen; Bessho, Naoki; Kistler, Lynn M.; Shuster, Jason R.; Guo, Ruilong

2016-03-01

Electron heating in the magnetic reconnection exhaust is investigated with particle-in-cell simulations, space observations, and theoretical analysis. Spatial variations of the electron temperature (Te) and associated velocity distribution functions (VDFs) are examined and understood in terms of particle energization and randomization processes that vary with exhaust locations. Inside the electron diffusion region (EDR), the electron temperature parallel to the magnetic field (Te∥) exhibits a local minimum and the perpendicular temperature (Te⊥) shows a maximum at the current sheet midplane. In the intermediate exhaust downstream from the EDR and far from the magnetic field pileup region, Te⊥/Te∥ is close to unity and Te is approximately uniform, but the VDFs are structured: close to the midplane, VDFs are quasi-isotropic, whereas farther away from the midplane, VDFs exhibit field-aligned beams directed toward the midplane. In the far exhaust, Te generally increases toward the midplane and the pileup region, and the corresponding VDFs show counter-streaming beams. A distinct population with low v∥ and high v⊥ is prominent in the VDFs around the midplane. Test particle results show that the magnetic curvature near the midplane produces pitch angle scattering to generate quasi-isotropic distributions in the intermediate exhaust. In the far exhaust, electrons with initial high v∥ (v⊥) are accelerated mainly through curvature (gradient-B) drift opposite to the electric field, without significant pitch angle scattering. The VDF structures predicted by simulations are observed in magnetotail reconnection measurements, indicating that the energization mechanisms captured in the reported simulations are applicable to magnetotail reconnection with negligible guide field.

LES on Plume Dispersion in the Convective Boundary Layer Capped by a Temperature Inversion

NASA Astrophysics Data System (ADS)

Nakayama, Hiromasa; Tamura, Tetsuro; Abe, Satoshi

Large-eddy simulation (LES) is applied to the problem of plume dispersion in the spatially-developing convective boundary layer (CBL) capped by a temperature inversion. In order to generate inflow turbulence with buoyant forcing, we first, simulate the neutral boundary layer flow (NBL) in the driver region using Lund's method. At the same time, the temperature profile possessing the inversion part is imposed at the entrance of the driver region and the temperature field is calculated as a passive scalar. Next, the buoyancy effect is introduced into the flow field in the main region. We evaluate the applicability of the LES model for atmospheric dispersion in the CBL flow and compare the characteristics of plume dispersion in the CBL flow with those in the neutral boundary layer. The Richardson number based on the temperature increment across the inversion obtained by the present LES model is 22.4 and the capping effect of the temperature inversion can be captured qualitatively in the upper portion of the CBL. Characteristics of flow and temperature fields in the main portion of CBL flow are similar to those of previous experiments[1],[2] and observations[3]. Concerning dispersion behavior, we also find that mean concentrations decrease immediately above the inversion height and the peak values of r.m.s concentrations are located near the inversion height at larger distances from the point source.

Role of temperature on static correlational properties in a spin-polarized electron gas

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

Arora, Priya; Moudgil, R. K., E-mail: rkmoudgil@kuk.ac.in; Kumar, Krishan

We have studied the effect of temperature on the static correlational properties of a spin-polarized three-dimensional electron gas (3DEG) over a wide coupling and temperature regime. This problem has been very recently studied by Brown et al. using the restricted path-integral Monte Carlo (RPIMC) technique in the warm-dense regime. To this endeavor, we have used the finite temperature version of the dynamical mean-field theory of Singwi et al, the so-called quantum STLS (qSTLS) approach. The static density structure factor and the static pair-correlation function are calculated, and compared with the RPIMC simulation data. We find an excellent agreement with themore » simulation at high temperature over a wide coupling range. However, the agreement is seen to somewhat deteriorate with decreasing temperature. The pair-correlation function is found to become small negative for small electron separation. This may be attributed to the inadequacy of the mean-field theory in dealing with the like spin electron correlations in the strong-coupling domain. A nice agreement with RPIMC data at high temperature seems to arise due to weakening of both the exchange and coulomb correlations with rising temperature.« less

Convection Effects in Three-dimensional Dendritic Growth

NASA Technical Reports Server (NTRS)

Lu, Yili; Beckermann, C.; Karma, A.

2003-01-01

A phase-field model is developed to simulate free dendritic growth coupled with fluid flow for a pure material in three dimensions. The preliminary results presented here illustrate the strong influence of convection on the three-dimensional (3D) dendrite growth morphology. The detailed knowledge of the flow and temperature fields in the melt around the dendrite from the simulations allows for a detailed understanding of the convection effects on dendritic growth.

Two-Dimensional Heat Transfer Modeling of the Formosa Ridge Offshore SW Taiwan: Implication for Fluid Migrating Paths of a Cold Seep Site

NASA Astrophysics Data System (ADS)

Tsai, Y.; Chi, W.; Liu, C.; Shyu, C.

2011-12-01

The Formosa Ridge, a small ridge located on the passive China continental slope offshore southwestern Taiwan, is an active cold seep site. Large and dense chemosynthetic communities were found there by the ROV Hyper-Dolphin during the 2007 NT0705 cruise. A vertical blank zone is clearly observed on all the seismic profiles across the cold seep site. This narrow zone is interpreted to be the fluid conduit of the seep site. Previous studies suggest that cold sea water carrying large amount of sulfate could flow into the fluid system from flanks of the ridge, and forms a very effective fluid circulation system that emits both methane and hydrogen sulfide to feed the unusual chemosynthetic communities observed at the Formosa Ridge cold seep site. Here we use thermal signals to study possible fluid flow migration paths. In 2008 and 2010, we have collected vdense thermal probe data at this site. We also study the temperatures at Bottom-Simulating Reflectors (BSRs) based on methane hydrate phase diagram. We perform 2D finite element thermal conductive simulations to study the effects of bathymetry on the temperature field in the ridge, and compare the simulation result with thermal probe and BSR-derived datasets. The boundary conditions include insulated boundaries on both sides, and we assign a fix temperature at the bottom of the model using an average regional geothermal gradient. Sensitivity tests and thermal probe data from a nearby region give a regional background geothermal gradient of 0.04 to 0.05 °C/m. The outputs of the simulation runs include geothermal gradient and temperature at different parts of the model. The model can fit the geothermal gradient at a distance away from the ridge where there is less geophysics evidence of fluid flow. However our model over-predicts the geothermal gradient by 50% at the ridge top. We also compare simulated temperature field and found that under the flanks of the ridge the temperature is cooled by 2 °C compared with the BSR-derived temperatures. These results are consistent with the interpretation of cold seawater being pumped into the ridge from both flanks, cooling the temperature field. In summary, the thermal data are consistence with previously proposed fluid circulation model.

Adaptive accelerated ReaxFF reactive dynamics with validation from simulating hydrogen combustion.

PubMed

Cheng, Tao; Jaramillo-Botero, Andrés; Goddard, William A; Sun, Huai

2014-07-02

We develop here the methodology for dramatically accelerating the ReaxFF reactive force field based reactive molecular dynamics (RMD) simulations through use of the bond boost concept (BB), which we validate here for describing hydrogen combustion. The bond order, undercoordination, and overcoordination concepts of ReaxFF ensure that the BB correctly adapts to the instantaneous configurations in the reactive system to automatically identify the reactions appropriate to receive the bond boost. We refer to this as adaptive Accelerated ReaxFF Reactive Dynamics or aARRDyn. To validate the aARRDyn methodology, we determined the detailed sequence of reactions for hydrogen combustion with and without the BB. We validate that the kinetics and reaction mechanisms (that is the detailed sequences of reactive intermediates and their subsequent transformation to others) for H2 oxidation obtained from aARRDyn agrees well with the brute force reactive molecular dynamics (BF-RMD) at 2498 K. Using aARRDyn, we then extend our simulations to the whole range of combustion temperatures from ignition (798 K) to flame temperature (2998K), and demonstrate that, over this full temperature range, the reaction rates predicted by aARRDyn agree well with the BF-RMD values, extrapolated to lower temperatures. For the aARRDyn simulation at 798 K we find that the time period for half the H2 to form H2O product is ∼538 s, whereas the computational cost was just 1289 ps, a speed increase of ∼0.42 trillion (10(12)) over BF-RMD. In carrying out these RMD simulations we found that the ReaxFF-COH2008 version of the ReaxFF force field was not accurate for such intermediates as H3O. Consequently we reoptimized the fit to a quantum mechanics (QM) level, leading to the ReaxFF-OH2014 force field that was used in the simulations.

Numerical simulation of a helical shape electric arc in the external axial magnetic field

NASA Astrophysics Data System (ADS)

Urusov, R. M.; Urusova, I. R.

2016-10-01

Within the frameworks of non-stationary three-dimensional mathematical model, in approximation of a partial local thermodynamic equilibrium, a numerical calculation was made of characteristics of DC electric arc burning in a cylindrical channel in the uniform external axial magnetic field. The method of numerical simulation of the arc of helical shape in a uniform external axial magnetic field was proposed. This method consists in that that in the computational algorithm, a "scheme" analog of fluctuations for electrons temperature is supplemented. The "scheme" analogue of fluctuations increases a weak numerical asymmetry of electrons temperature distribution, which occurs randomly in the course of computing. This asymmetry can be "picked up" by the external magnetic field that continues to increase up to a certain value, which is sufficient for the formation of helical structure of the arc column. In the absence of fluctuations in the computational algorithm, the arc column in the external axial magnetic field maintains cylindrical axial symmetry, and a helical form of the arc is not observed.

Modeling studies on the formation of Hurricane Helene: the impact of GPS dropwindsondes from the NAMMA 2006 field campaign

NASA Astrophysics Data System (ADS)

Folmer, Michael J.; Pasken, Robert W.; Chiao, Sen; Dunion, Jason; Halverson, Jeffrey

2016-12-01

Numerical simulations, using the weather research and forecasting (WRF) model in concert with GPS dropwindsondes released during the NASA African Monsoon Multidisciplinary Analyses 2006 Field Campaign, were conducted to provide additional insight on SAL-TC interaction. Using NCEP Final analysis datasets to initialize the WRF, a sensitivity test was performed on the assimilated (i.e., observation nudging) GPS dropwindsondes to understand the effects of individual variables (i.e., moisture, temperature, and winds) on the simulation and determine the extent of improvement when compared to available observations. The results suggested that GPS dropwindsonde temperature data provided the most significant difference in the simulated storm organization, storm strength, and synoptic environment, but all of the variables assimilated at the same time give a more representative mesoscale and synoptic picture.

Snow stratigraphic heterogeneity within ground-based passive microwave radiometer footprints: implications for emission modelling

NASA Astrophysics Data System (ADS)

Sandells, M.; Rutter, N.; Derksen, C.; Langlois, A.; Lemmetyinen, J.; Montpetit, B.; Pulliainen, J. T.; Royer, A.; Toose, P.

2012-12-01

Remote sensing of snow mass remains a challenging area of research. Scattering of electromagnetic radiation is sensitive to snow mass, but is also affected by contrasts in the dielectric properties of the snow. Although the argument that errors from simple algorithms average out at large scales has been used to justify current retrieval methods, it is not obvious why this should be the case. This hypothesis needs to be tested more rigorously. A ground-based field experiment was carried out to assess the impact of sub-footprint snow heterogeneity on microwave brightness temperature, in Churchill, Canada in winter in early 2010. Passive microwave measurements of snow were made using sled-mounted radiometers at 75cm intervals over a 5m transect. Measurements were made at horizontal and vertical polarizations at frequencies of 19 and 37 GHz. Snow beneath the radiometer footprints was subsequently excavated, creating a snow trench wall along the centrepoints of adjacent footprints. The trench wall was carefully smoothed and photographed with a near-infrared camera in order to determine the positions of stratigraphic snow layer boundaries. Three one-dimensional vertical profiles of snowpack properties (density and snow specific surface area) were taken at 75cm, 185cm and 355cm from the left hand side of the trench. These profile measurements were used to derive snow density and grain size for each of the layers identified from the NIR image. Microwave brightness temperatures for the 2-dimensional map of snow properties was simulated with the Helsinki University of Technology (HUT) model at 1cm intervals horizontally across the trench. Where each of five ice lenses was identified in the snow stratigraphy, a decrease in brightness temperature was simulated. However, the median brightness temperature simulated across the trench was substantially higher than the observations, of the order of tens of Kelvin, dependent on frequency and polarization. In order to understand and quantify possible sources of error in the simulations, a number of experiments were carried out to investigate the sensitivity of the brightness temperature to: 1) uncertainties in field observations, 2) representation of ice lenses, 3) model layering structure, and 4) near-infrared derived grain size representing snow grain size at microwave wavelengths. Field measurement error made little difference to the simulated brightness temperature, nor did the representation of ice lenses as crusts of high density snow. As the number of layers in the snow was reduced to 3, 2, or 1, the simulated brightness temperature increased slightly. However, scaling of snow grain size had a dramatic effect on the simulated brightness temperatures, reducing the median bias of the simulations to within measurement error for the statistically different brightness temperature distributions. This indicated that further investigation is required to define what is meant by the microwave grain size, and how this relates to the grain size that is used in the microwave emission model.

Research on adaptive temperature control in sound field induced by self-focused concave spherical transducer.

PubMed

Hu, Jiwen; Qian, Shengyou; Ding, Yajun

2010-05-01

Temperature control of hyperthermia treatments is generally implemented with multipoint feedback system comprised of phased-array transducer, which is complicated and high cost. Our simulations to the acoustic field induced by a self-focused concave spherical transducer (0.5MHz, 9cm aperture width, 8.0cm focal length) show that the distribution of temperature can keep the same "cigar shape" in the focal region during ultrasound insonation. Based on the characteristic of the temperature change, a two-dimensional model of a "cigar shape" tumor is designed and tested through numerical simulation. One single-point on the border of the "cigar shape" tumor is selected as the control target and is controlled at the temperature of 43 degrees C by using a self-tuning regulator (STR). Considering the nonlinear effects of biological medium, an accurate state-space model obtained via the finite Fourier integral transformation to the bioheat equation is presented and used for calculating temperature. Computer simulations were performed with the perfusion rates of 2.0kg/(m(3)s) and 4.5kg/(m(3)s) to the different targets, it was found that the temperatures on the border of the "cigar shape" tumor can achieve the desired temperature of 43 degrees C by control of one single-point. A larger perfusion rate requires a higher power output to obtain the same temperature elevation under the same insonation time and needs a higher cost for compensating the energy loss carried away by blood flow after steady state. The power output increases with the controlled region while achieving the same temperature at the same time. Especially, there is no overshoot during temperature elevation and no oscillation after steady state. The simulation results demonstrate that the proposed approach may offers a way for obtaining a single-point, low-cost hyperthermia system. Copyright 2010 Elsevier B.V. All rights reserved.

Planar laser-induced fluorescence measurements of high-enthalpy free jet flow with nitric oxide

NASA Technical Reports Server (NTRS)

Palmer, Jennifer L.; Mcmillin, Brian K.; Hanson, Ronald K.

1992-01-01

Planar laser-induced fluorescence (PLIF) measurements of property fields in a high-enthalpy, supersonic, underexpanded free jet generated in a reflection-type shock tunnel are reported. PLIF images showing velocity and temperature sensitivity are presented. The inferred radial velocity and relative rotational temperature fields are found to be in agreement with those predicted by a numerical simulation of the flowfield using the method of characteristics.

Ultrafast Electric Field Pulse Control of Giant Temperature Change in Ferroelectrics

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

Qi, Y.; Liu, S.; Lindenberg, A. M.

There is a surge of interest in developing environmentally friendly solid-state-based cooling technology. Here, we point out that a fast cooling rate (≈ 10 11 K/s) can be achieved by driving solid crystals to a high-temperature phase with a properly designed electric field pulse. Specifically, we predict that an ultrafast electric field pulse can cause a giant temperature decrease up to 32 K in PbTiO 3 occurring on few picosecond time scales. Here, we explain the underlying physics of this giant electric field pulse-induced temperature change with the concept of internal energy redistribution: the electric field does work on amore » ferroelectric crystal and redistributes its internal energy, and the way the kinetic energy is redistributed determines the temperature change and strongly depends on the electric field temporal profile. This concept is supported by our all-atom molecular dynamics simulations of PbTiO 3 and BaTiO 3. Moreover, this internal energy redistribution concept can also be applied to understand electrocaloric effect. We further propose new strategies for inducing giant cooling effect with ultrafast electric field pulse. This Letter offers a general framework to understand electric-field-induced temperature change and highlights the opportunities of electric field engineering for controlled design of fast and efficient cooling technology.« less

Ultrafast Electric Field Pulse Control of Giant Temperature Change in Ferroelectrics

DOE PAGES

Qi, Y.; Liu, S.; Lindenberg, A. M.; ...

2018-01-30

There is a surge of interest in developing environmentally friendly solid-state-based cooling technology. Here, we point out that a fast cooling rate (≈ 10 11 K/s) can be achieved by driving solid crystals to a high-temperature phase with a properly designed electric field pulse. Specifically, we predict that an ultrafast electric field pulse can cause a giant temperature decrease up to 32 K in PbTiO 3 occurring on few picosecond time scales. Here, we explain the underlying physics of this giant electric field pulse-induced temperature change with the concept of internal energy redistribution: the electric field does work on amore » ferroelectric crystal and redistributes its internal energy, and the way the kinetic energy is redistributed determines the temperature change and strongly depends on the electric field temporal profile. This concept is supported by our all-atom molecular dynamics simulations of PbTiO 3 and BaTiO 3. Moreover, this internal energy redistribution concept can also be applied to understand electrocaloric effect. We further propose new strategies for inducing giant cooling effect with ultrafast electric field pulse. This Letter offers a general framework to understand electric-field-induced temperature change and highlights the opportunities of electric field engineering for controlled design of fast and efficient cooling technology.« less

Ultrafast Electric Field Pulse Control of Giant Temperature Change in Ferroelectrics

NASA Astrophysics Data System (ADS)

Qi, Y.; Liu, S.; Lindenberg, A. M.; Rappe, A. M.

2018-01-01

There is a surge of interest in developing environmentally friendly solid-state-based cooling technology. Here, we point out that a fast cooling rate (≈1011 K /s ) can be achieved by driving solid crystals to a high-temperature phase with a properly designed electric field pulse. Specifically, we predict that an ultrafast electric field pulse can cause a giant temperature decrease up to 32 K in PbTiO3 occurring on few picosecond time scales. We explain the underlying physics of this giant electric field pulse-induced temperature change with the concept of internal energy redistribution: the electric field does work on a ferroelectric crystal and redistributes its internal energy, and the way the kinetic energy is redistributed determines the temperature change and strongly depends on the electric field temporal profile. This concept is supported by our all-atom molecular dynamics simulations of PbTiO3 and BaTiO3 . Moreover, this internal energy redistribution concept can also be applied to understand electrocaloric effect. We further propose new strategies for inducing giant cooling effect with ultrafast electric field pulse. This Letter offers a general framework to understand electric-field-induced temperature change and highlights the opportunities of electric field engineering for controlled design of fast and efficient cooling technology.

Magnetocaloric effect in Sr2CrIrO6 double perovskite: Monte Carlo simulation

NASA Astrophysics Data System (ADS)

El Rhazouani, O.; Slassi, A.; Ziat, Y.; Benyoussef, A.

2017-05-01

Monte Carlo simulation (MCS) combined with the Metropolis algorithm has been performed to study the magnetocaloric effect (MCE) in the promising double perovskite (DP) Sr2CrIrO6 that has not so far been synthetized. This paper presents the global magneto-thermodynamic behavior of Sr2CrIrO6 compound in term of MCE and discusses the behavior in comparison to other DPs. Thermal dependence of the magnetization has been investigated for different values of reduced external magnetic field. Thermal magnetic entropy and its change have been obtained. The adiabatic temperature change and the relative cooling power have been established. Through the obtained results, Sr2CrIrO6 DP could have some potential applications for magnetic refrigeration over a wide temperature range above room temperature and at large magnetic fields.

Thermal Stress FE Analysis of Large-scale Gas Holder Under Sunshine Temperature Field

NASA Astrophysics Data System (ADS)

Li, Jingyu; Yang, Ranxia; Wang, Hehui

2018-03-01

The temperature field and thermal stress of Man type gas holder is simulated by using the theory of sunshine temperature field based on ASHRAE clear-sky model and the finite element method. The distribution of surface temperature and thermal stress of gas holder under the given sunshine condition is obtained. The results show that the thermal stress caused by sunshine can be identified as one of the important factors for the failure of local cracked oil leakage which happens on the sunny side before on the shady side. Therefore, it is of great importance to consider the sunshine thermal load in the stress analysis, design and operation of large-scale steel structures such as the gas holder.

A new leakage measurement method for damaged seal material

NASA Astrophysics Data System (ADS)

Wang, Shen; Yao, Xue Feng; Yang, Heng; Yuan, Li; Dong, Yi Feng

2018-07-01

In this paper, a new leakage measurement method based on the temperature field and temperature gradient field is proposed for detecting the leakage location and measuring the leakage rate in damaged seal material. First, a heat transfer leakage model is established, which can calculate the leakage rate based on the temperature gradient field near the damaged zone. Second, a finite element model of an infinite plate with a damaged zone is built to calculate the leakage rate, which fits the simulated leakage rate well. Finally, specimens in a tubular rubber seal with different damage shapes are used to conduct the leakage experiment, validating the correctness of this new measurement principle for the leakage rate and the leakage position. The results indicate the feasibility of the leakage measurement method for damaged seal material based on the temperature gradient field from infrared thermography.

WHATCH’EM: A Weather-Driven Energy Balance Model for Determining Water Height and Temperature in Container Habitats for Aedes aegypti

PubMed Central

Steinhoff, Daniel F.; Monaghan, Andrew J.; Eisen, Lars; Barlage, Michael J.; Hopson, Thomas M.; Tarakidzwa, Isaac; Ortiz-Rosario, Karielys; Lozano-Fuentes, Saul; Hayden, Mary H.; Bieringer, Paul E.; Welsh Rodríguez, Carlos M.

2017-01-01

The mosquito virus vector Aedes (Ae.) aegypti exploits a wide range of containers as sites for egg laying and development of the immature life stages, yet the approaches for modeling meteorologically sensitive container water dynamics have been limited. This study introduces the Water Height and Temperature in Container Habitats Energy Model (WHATCH’EM), a state-of-the-science, physically based energy balance model of water height and temperature in containers that may serve as development sites for mosquitoes. The authors employ WHATCH’EM to model container water dynamics in three cities along a climatic gradient in México ranging from sea level, where Ae. aegypti is highly abundant, to ~2100 m, where Ae. aegypti is rarely found. When compared with measurements from a 1-month field experiment in two of these cities during summer 2013, WHATCH’EM realistically simulates the daily mean and range of water temperature for a variety of containers. To examine container dynamics for an entire season, WHATCH’EM is also driven with field-derived meteorological data from May to September 2011 and evaluated for three commonly encountered container types. WHATCH’EM simulates the highly nonlinear manner in which air temperature, humidity, rainfall, clouds, and container characteristics (shape, size, and color) determine water temperature and height. Sunlight exposure, modulated by clouds and shading from nearby objects, plays a first-order role. In general, simulated water temperatures are higher for containers that are larger, darker, and receive more sunlight. WHATCH’EM simulations will be helpful in understanding the limiting meteorological and container-related factors for proliferation of Ae. aegypti and may be useful for informing weather-driven early warning systems for viruses transmitted by Ae. aegypti. PMID:29123363

Simulation of a shock tube with a small exit nozzle

NASA Astrophysics Data System (ADS)

Luan, Yigang; Olzmann, Matthias; Magagnato, Franco

2018-02-01

Shock tubes are frequently used to rapidly heat up reaction mixtures to study chemical reaction mechanisms and kinetics in the field of combustion chemistry [1]. In the present work, the flow field inside a shock tube with a small nozzle in the end plate has been investigated to support the analysis of reacting chemical mixtures with an attached mass spectrometer and to clarify whether the usual assumptions for the flow field and the related thermodynamics are fulfilled. In the present work, the details of the flow physics inside the tube and the flow out of the nozzle in the end plate have been investigated. Due to the large differences in the typical length scales and the large pressure ratios of this special device, a very strong numerical stiffness prevails during the simulation process. Second-order ROE numerical schemes have been employed to simulate the flow field inside the shock tube. The simulations were performed with the commercial code ANSYS Fluent [2]. Axial-symmetric boundary conditions are employed to reduce the consumption of CPU time. A density-based transient scheme has been used and validated in terms of accuracy and efficiency. The simulation results for pressure and density are compared with analytical solutions. Numerical results show that a density-based numerical scheme performs better when dealing with shock-tube problems [5]. The flow field near the nozzle is studied in detail, and the effects of the nozzle to pressure and temperature variations inside the tube are investigated. The results show that this special shock-tube setup can be used to study high-temperature gas-phase chemical reactions with reasonable accuracy.

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with alpha and alpha+beta Proteins.

PubMed

Czaplewski, Cezary; Kalinowski, Sebastian; Liwo, Adam; Scheraga, Harold A

2009-03-10

The replica exchange (RE) method is increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. Recently, we implemented the united-residue UNRES force field for mesoscopic MD. Initial results from UNRES MD simulations show that we are able to simulate folding events that take place in a microsecond or even a millisecond time scale. To speed up the search further, we applied the multiplexing replica exchange molecular dynamics (MREMD) method. The multiplexed variant (MREMD) of the RE method, developed by Rhee and Pande, differs from the original RE method in that several trajectories are run at a given temperature. Each set of trajectories run at a different temperature constitutes a layer. Exchanges are attempted not only within a single layer but also between layers. The code has been parallelized and scales up to 4000 processors. We present a comparison of canonical MD, REMD, and MREMD simulations of protein folding with the UNRES force-field. We demonstrate that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster.

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins

PubMed Central

Czaplewski, Cezary; Kalinowski, Sebastian; Liwo, Adam; Scheraga, Harold A.

2009-01-01

The replica exchange (RE) method is increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. Recently, we implemented the united-residue UNRES force field for mesoscopic MD. Initial results from UNRES MD simulations show that we are able to simulate folding events that take place in a microsecond or even a millisecond time scale. To speed up the search further, we applied the multiplexing replica exchange molecular dynamics (MREMD) method. The multiplexed variant (MREMD) of the RE method, developed by Rhee and Pande, differs from the original RE method in that several trajectories are run at a given temperature. Each set of trajectories run at a different temperature constitutes a layer. Exchanges are attempted not only within a single layer but also between layers. The code has been parallelized and scales up to 4000 processors. We present a comparison of canonical MD, REMD, and MREMD simulations of protein folding with the UNRES force-field. We demonstrate that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster. PMID:20161452

Simulation study of depositing the carbon film on nanoparticles in the magnetized methane plasma

NASA Astrophysics Data System (ADS)

Mohammadzadeh, Hosein; Pourali, Nima; Ebadi, Zahra

2018-03-01

Plasma coating of nanoparticles in low-temperature magnetized methane plasma is studied by a simulation approach. To this end, by using the global model, the electron temperature and concentration of different species considered in this plasma are determined in the center of a capacitively coupled discharge. Then, the plasma-wall transition region in the presence of an oblique magnetic field is simulated by the multi-component fluid description. Nanoparticles with different radii are injected into the transition region and surface deposition and heating models, as well as dynamics and charging models, are employed to examine the coating process. The results of the simulation show that the non-spherical growth of nanoparticles is affected by the presence of the magnetic field, as with passing time, an oscillating increase is seen in the thickness of the film deposited on nanoparticles. Also, it is shown that the uniformity of the deposited film is dependent on the rotation velocity of nanoparticles. Generally, the obtained results imply that the sphericity of nanoparticles and uniformity of the film coated on them are controllable by the magnitude and orientation of the magnetic field.

Simulation of future global warming scenarios in rice paddies with an open-field warming facility

PubMed Central

2011-01-01

To simulate expected future global warming, hexagonal arrays of infrared heaters have previously been used to warm open-field canopies of upland crops such as wheat. Through the use of concrete-anchored posts, improved software, overhead wires, extensive grounding, and monitoring with a thermal camera, the technology was safely and reliably extended to paddy rice fields. The system maintained canopy temperature increases within 0.5°C of daytime and nighttime set-point differences of 1.3 and 2.7°C 67% of the time. PMID:22145582

MULTI-STRAND CORONAL LOOP MODEL AND FILTER-RATIO ANALYSIS

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

Bourouaine, Sofiane; Marsch, Eckart, E-mail: bourouaine@mps.mpg.d

2010-01-10

We model a coronal loop as a bundle of seven separate strands or filaments. Each of the loop strands used in this model can independently be heated (near their left footpoints) by Alfven/ion-cyclotron waves via wave-particle interactions. The Alfven waves are assumed to penetrate the strands from their footpoints, at which we consider different wave energy inputs. As a result, the loop strands can have different heating profiles, and the differential heating can lead to a varying cross-field temperature in the total coronal loop. The simulation of Transition Region and Coronal Explorer (TRACE) observations by means of this loop modelmore » implies two uniform temperatures along the loop length, one inferred from the 171:195 filter ratio and the other from the 171:284 ratio. The reproduced flat temperature profiles are consistent with those inferred from the observed extreme-ultraviolet coronal loops. According to our model, the flat temperature profile is a consequence of the coronal loop consisting of filaments, which have different temperatures but almost similar emission measures in the cross-field direction. Furthermore, when we assume certain errors in the simulated loop emissions (e.g., due to photometric uncertainties in the TRACE filters) and use the triple-filter analysis, our simulated loop conditions become consistent with those of an isothermal plasma. This implies that the use of TRACE or EUV Imaging Telescope triple filters for observation of a warm coronal loop may not help in determining whether the cross-field isothermal assumption is satisfied or not.« less

Simultaneous measurement of refractive index and temperature based on all-dielectric metasurface.

PubMed

Hu, Jie; Lang, Tingting; Shi, Guo-Hua

2017-06-26

In this paper, a novel kind of sensors for simultaneous measurement of refractive index and temperature based on all-dielectric metasurfaces is proposed. The metasurfaces are constructed by an array of silicon nanoblocks on top of the bulk fused silica substrate. We used three-dimensional full wave electromagnetic field simulation by finite integral method to accurately calculate the transmission spectrum of the metasurfaces. Two transmission dips corresponding to the electric and magnetic resonances are observed. Both dips shift as the ambient refractive index or the temperature changes. Simulation results show that the sensing sensitivities of two dips to the refractive index are 243.44 nm/RIU and 159.43 nm/RIU, respectively, while the sensitivities to the temperature are 50.47 pm/°C and 75.20 pm/°C, respectively. After introducing four holes into each silicon nanoblock, the electromagnetic field overlap in the surrounding medium can be further promoted, and the sensitivities to the refractive index increase to 306.71 nm/RIU and 204.27 nm/RIU, respectively. Our proposed sensors have advantages of polarization insensitive, small size, and low loss, which offer them high potential applications in physical, biological and chemical sensing fields.

Interface motion in a two-dimensional Ising model with a field

NASA Astrophysics Data System (ADS)

Devillard, Pierre

1991-01-01

We determine by Monte Carlo simulations the width of an interface between the stable phase and the metastable phase in a two-dimensional Ising model with a magnetic field, in the case of nonconversed order parameter (Glauber dynamics). At zero temperature, the width increases as t β with β-1/3, as predicted by earlier theories. As temperature increases, the value of the effective exponent β that we measure decreases toward the value 1/4, which is the value in the absence of magnetic field.

Mission oriented R and D and the advancement of technology: The impact of NASA contributions, volume 2

NASA Technical Reports Server (NTRS)

Robbins, M. D.; Kelley, J. A.; Elliott, L.

1972-01-01

NASA contributions to the advancement of major developments in twelve selected fields of technology are presented. The twelve fields of technology discussed are: (1) cryogenics, (2) electrochemical energy conversion and storage, (3) high-temperature ceramics, (4) high-temperature metals (5) integrated circuits, (6) internal gas dynamics (7) materials machining and forming, (8) materials joining, (9) microwave systems, (10) nondestructive testing, (11) simulation, and (12) telemetry. These field were selected on the basis of both NASA and nonaerospace interest and activity.

Comparison of resistive MHD simulations and experimental CHI discharges in NSTX

NASA Astrophysics Data System (ADS)

Hooper, E. B.; Sovinec, C. R.; Raman, R.; Fatima, F.

2013-10-01

Resistive MHD simulations using NIMROD simulate CHI discharges for NSTX startup plasmas. Quantitative comparison with experiment ensures that the simulation physics includes a minimal physics set needed to extend the simulations to new experiments, e.g. NSTX-U. Important are time-varying vacuum magnetic field, ohmic heating, thermal transport, impurity radiation, and spatially-varying plasma parameters including density. Equilibria are compared with experimental injector currents, voltages and parameters including toroidal current, photographs of emitted light and measurements of midplane temperature profiles, radiation and surface heating. Initial results demonstrate that adjusting impurity radiation and cross-field transport yields temperatures and injected-current channel widths similar to experiment. These determine the plasma resistance, feeding back to the impedance on the injector power supply. Work performed under the auspices of the U.S. Department of Energy under contracts DE-AC52-07NA27344 at LLNL and DE-AC02-09CH11466 at PPPL, and grants DE-FC02-05ER54813 at PSI Center (U. Wisc.) and DOE-FG02-12ER55115 (at Princeton U.).

Minimum maximum temperature gradient coil design.

PubMed

While, Peter T; Poole, Michael S; Forbes, Larry K; Crozier, Stuart

2013-08-01

Ohmic heating is a serious problem in gradient coil operation. A method is presented for redesigning cylindrical gradient coils to operate at minimum peak temperature, while maintaining field homogeneity and coil performance. To generate these minimaxT coil windings, an existing analytic method for simulating the spatial temperature distribution of single layer gradient coils is combined with a minimax optimization routine based on sequential quadratic programming. Simulations are provided for symmetric and asymmetric gradient coils that show considerable improvements in reducing maximum temperature over existing methods. The winding patterns of the minimaxT coils were found to be heavily dependent on the assumed thermal material properties and generally display an interesting "fish-eye" spreading of windings in the dense regions of the coil. Small prototype coils were constructed and tested for experimental validation and these demonstrate that with a reasonable estimate of material properties, thermal performance can be improved considerably with negligible change to the field error or standard figures of merit. © 2012 Wiley Periodicals, Inc.

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.

Prediction of Turbulent Temperature Fluctuations in Hot Jets

NASA Technical Reports Server (NTRS)

DeBonis, James R.

2017-01-01

Large-eddy simulations (LES) were used to investigate turbulent temperature fluctuations and turbulent heat flux in hot jets. A high-resolution finite-difference Navier-Stokes solver was used to compute the flow from a 2-inch round nozzle. Three different flow conditions of varying jet Mach numbers and temperature ratios were examined. The LES results showed that the temperature field behaves similar to the velocity field, but with a more rapidly spreading mixing layer. Predictions of mean, mu-bar(sub i), and fluctuating, mu'(sub i), velocities were compared to particle image velocimetry data. Predictions of mean, T-bar, and fluctuating, T', temperature were compared to data obtained using Rayleigh scattering and Raman spectroscopy. Very good agreement with experimental data was demonstrated for the mean and fluctuating velocities. The LES correctly predicts the behavior of the turbulent temperature field, but over-predicts the levels of the fluctuations. The turbulent heat flux was examined and compared to Reynolds-averaged Navier-Stokes (RANS) results. The LES and RANS simulations produced very similar results for the radial heat flux. However, the axial heat flux obtained from the LES differed significantly from the RANS result in both structure and magnitude, indicating that the gradient diffusion type model in RANS is inadequate. Finally, the LES data was used to compute the turbulent Prandtl number and verify that a constant value of 0.7 used in the RANS models is a reasonable assumption.

Exploring the protein folding free energy landscape: coupling replica exchange method with P3ME/RESPA algorithm.

PubMed

Zhou, Ruhong

2004-05-01

A highly parallel replica exchange method (REM) that couples with a newly developed molecular dynamics algorithm particle-particle particle-mesh Ewald (P3ME)/RESPA has been proposed for efficient sampling of protein folding free energy landscape. The algorithm is then applied to two separate protein systems, beta-hairpin and a designed protein Trp-cage. The all-atom OPLSAA force field with an explicit solvent model is used for both protein folding simulations. Up to 64 replicas of solvated protein systems are simulated in parallel over a wide range of temperatures. The combined trajectories in temperature and configurational space allow a replica to overcome free energy barriers present at low temperatures. These large scale simulations reveal detailed results on folding mechanisms, intermediate state structures, thermodynamic properties and the temperature dependences for both protein systems.

Predict the glass transition temperature of glycerol-water binary cryoprotectant by molecular dynamic simulation.

PubMed

Li, Dai-Xi; Liu, Bao-Lin; Liu, Yi-shu; Chen, Cheng-lung

2008-04-01

Vitrification is proposed to be the best way for the cryopreservation of organs. The glass transition temperature (T(g)) of vitrification solutions is a critical parameter of fundamental importance for cryopreservation by vitrification. The instruments that can detect the thermodynamic, mechanical and dielectric changes of a substance may be used to determine the glass transition temperature. T(g) is usually measured by using differential scanning calorimetry (DSC). In this study, the T(g) of the glycerol-aqueous solution (60%, wt/%) was determined by isothermal-isobaric molecular dynamic simulation (NPT-MD). The software package Discover in Material Studio with the Polymer Consortium Force Field (PCFF) was used for the simulation. The state parameters of heat capacity at constant pressure (C(p)), density (rho), amorphous cell volume (V(cell)) and specific volume (V(specific)) and radial distribution function (rdf) were obtained by NPT-MD in the temperature range of 90-270K. These parameters showed a discontinuity at a specific temperature in the plot of state parameter versus temperature. The temperature at the discontinuity is taken as the simulated T(g) value for glycerol-water binary solution. The T(g) values determined by simulation method were compared with the values in the literatures. The simulation values of T(g) (160.06-167.51K) agree well with the DSC results (163.60-167.10K) and the DMA results (159.00K). We drew the conclusion that molecular dynamic simulation (MDS) is a potential method for investigating the glass transition temperature (T(g)) of glycerol-water binary cryoprotectants and may be used for other vitrification solutions.

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.

Design and Evaluation of a Hybrid Radiofrequency Applicator for Magnetic Resonance Imaging and RF Induced Hyperthermia: Electromagnetic Field Simulations up to 14.0 Tesla and Proof-of-Concept at 7.0 Tesla

PubMed Central

Winter, Lukas; Özerdem, Celal; Hoffmann, Werner; Santoro, Davide; Müller, Alexander; Waiczies, Helmar; Seemann, Reiner; Graessl, Andreas; Wust, Peter; Niendorf, Thoralf

2013-01-01

This work demonstrates the feasibility of a hybrid radiofrequency (RF) applicator that supports magnetic resonance (MR) imaging and MR controlled targeted RF heating at ultrahigh magnetic fields (B0≥7.0T). For this purpose a virtual and an experimental configuration of an 8-channel transmit/receive (TX/RX) hybrid RF applicator was designed. For TX/RX bow tie antenna electric dipoles were employed. Electromagnetic field simulations (EMF) were performed to study RF heating versus RF wavelength (frequency range: 64 MHz (1.5T) to 600 MHz (14.0T)). The experimental version of the applicator was implemented at B0 = 7.0T. The applicators feasibility for targeted RF heating was evaluated in EMF simulations and in phantom studies. Temperature co-simulations were conducted in phantoms and in a human voxel model. Our results demonstrate that higher frequencies afford a reduction in the size of specific absorption rate (SAR) hotspots. At 7T (298 MHz) the hybrid applicator yielded a 50% iso-contour SAR (iso-SAR-50%) hotspot with a diameter of 43 mm. At 600 MHz an iso-SAR-50% hotspot of 26 mm in diameter was observed. RF power deposition per RF input power was found to increase with B0 which makes targeted RF heating more efficient at higher frequencies. The applicator was capable of generating deep-seated temperature hotspots in phantoms. The feasibility of 2D steering of a SAR/temperature hotspot to a target location was demonstrated by the induction of a focal temperature increase (ΔT = 8.1 K) in an off-center region of the phantom. Temperature simulations in the human brain performed at 298 MHz showed a maximum temperature increase to 48.6C for a deep-seated hotspot in the brain with a size of (19×23×32)mm3 iso-temperature-90%. The hybrid applicator provided imaging capabilities that facilitate high spatial resolution brain MRI. To conclude, this study outlines the technical underpinnings and demonstrates the basic feasibility of an 8-channel hybrid TX/RX applicator that supports MR imaging, MR thermometry and targeted RF heating in one device. PMID:23613896

Design and evaluation of a hybrid radiofrequency applicator for magnetic resonance imaging and RF induced hyperthermia: electromagnetic field simulations up to 14.0 Tesla and proof-of-concept at 7.0 Tesla.

PubMed

Winter, Lukas; Özerdem, Celal; Hoffmann, Werner; Santoro, Davide; Müller, Alexander; Waiczies, Helmar; Seemann, Reiner; Graessl, Andreas; Wust, Peter; Niendorf, Thoralf

2013-01-01

This work demonstrates the feasibility of a hybrid radiofrequency (RF) applicator that supports magnetic resonance (MR) imaging and MR controlled targeted RF heating at ultrahigh magnetic fields (B0≥7.0T). For this purpose a virtual and an experimental configuration of an 8-channel transmit/receive (TX/RX) hybrid RF applicator was designed. For TX/RX bow tie antenna electric dipoles were employed. Electromagnetic field simulations (EMF) were performed to study RF heating versus RF wavelength (frequency range: 64 MHz (1.5T) to 600 MHz (14.0T)). The experimental version of the applicator was implemented at B0 = 7.0T. The applicators feasibility for targeted RF heating was evaluated in EMF simulations and in phantom studies. Temperature co-simulations were conducted in phantoms and in a human voxel model. Our results demonstrate that higher frequencies afford a reduction in the size of specific absorption rate (SAR) hotspots. At 7T (298 MHz) the hybrid applicator yielded a 50% iso-contour SAR (iso-SAR-50%) hotspot with a diameter of 43 mm. At 600 MHz an iso-SAR-50% hotspot of 26 mm in diameter was observed. RF power deposition per RF input power was found to increase with B0 which makes targeted RF heating more efficient at higher frequencies. The applicator was capable of generating deep-seated temperature hotspots in phantoms. The feasibility of 2D steering of a SAR/temperature hotspot to a target location was demonstrated by the induction of a focal temperature increase (ΔT = 8.1 K) in an off-center region of the phantom. Temperature simulations in the human brain performed at 298 MHz showed a maximum temperature increase to 48.6C for a deep-seated hotspot in the brain with a size of (19×23×32)mm(3) iso-temperature-90%. The hybrid applicator provided imaging capabilities that facilitate high spatial resolution brain MRI. To conclude, this study outlines the technical underpinnings and demonstrates the basic feasibility of an 8-channel hybrid TX/RX applicator that supports MR imaging, MR thermometry and targeted RF heating in one device.

Further optimization of a hybrid united-atom and coarse-grained force field for folding simulations: Improved backbone hydration and interactions between charged side chains

PubMed Central

Han, Wei; Schulten, Klaus

2012-01-01

PACE, a hybrid force field which couples united-atom protein models with coarse-grained (CG) solvent, has been further optimized, aiming to improve itse ciency for folding simulations. Backbone hydration parameters have been re-optimized based on hydration free energies of polyalanyl peptides through atomistic simulations. Also, atomistic partial charges from all-atom force fields were combined with PACE in order to provide a more realistic description of interactions between charged groups. Using replica exchange molecular dynamics (REMD), ab initio folding using the new PACE has been achieved for seven small proteins (16 – 23 residues) with different structural motifs. Experimental data about folded states, such as their stability at room temperature, melting point and NMR NOE constraints, were also well reproduced. Moreover, a systematic comparison of folding kinetics at room temperature has been made with experiments, through standard MD simulations, showing that the new PACE may speed up the actual folding kinetics 5-10 times. Together with the computational speedup benefited from coarse-graining, the force field provides opportunities to study folding mechanisms. In particular, we used the new PACE to fold a 73-residue protein, 3D, in multiple 10 – 30 μs simulations, to its native states (Cα RMSD ~ 0.34 nm). Our results suggest the potential applicability of the new PACE for the study of folding and dynamics of proteins. PMID:23204949

Numerical Simulation of DC Coronal Heating

NASA Astrophysics Data System (ADS)

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

2016-05-01

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

Small scale changes of geochemistry and flow field due to transient heat storage in aquifers

NASA Astrophysics Data System (ADS)

Bauer, S.; Boockmeyer, A.; Li, D.; Beyer, C.

2013-12-01

Heat exchangers in the subsurface are increasingly installed for transient heat storage due to the need of heating or cooling of buildings as well as the interim storage of heat to compensate for the temporally fluctuating energy production by wind or solar energy. For heat storage to be efficient, high temperatures must be achieved in the subsurface. Significant temporal changes of the soil and groundwater temperatures however effect both the local flow field by temperature dependent fluid parameters as well as reactive mass transport through temperature dependent diffusion coefficients, geochemical reaction rates and mineral equilibria. As the use of heat storage will be concentrated in urban areas, the use of the subsurface for (drinking) water supply and heat storage will typically coincide and a reliable prognosis of the processes occurring is needed. In the present work, the effects of a temporal variation of the groundwater temperature, as induced by a local heat exchanger introduced into a groundwater aquifer, are studied. For this purpose, the coupled non-isothermal groundwater flow, heat transport and reactive mass transport is simulated in the near filed of such a heat exchanger. By explicitly discretizing and incorporating the borehole, the borehole cementation and the heat exchanger tubes, a realistic geometrical and process representation is obtained. The numerical simulation code OpenGeoSys is used in this work, which incorporates the required processes of coupled groundwater flow, heat and mass transport as well as temperature dependent geochemistry. Due to the use of a Finite Element Method, a close representation of the geometric effects can be achieved. Synthetic scenario simulations for typical settings of salt water formations in northern Germany are used to investigate the geochemical effects arising from a high temperature heat storage by quantifying changes in groundwater chemistry and overall reaction rates. This work presents the simulation approach used and results obtained for the synthetic scenarios. The model simulations show that locally in the direct vicinity of the borehole heat exchanger the flow field is changed, causing a ground water convergence and thus a mixing of water in the case of high temperatures. Also, geochemical reactions are induced due to shifting of temperature dependent mineral equilibria. Due to the moving groundwater, the changes are not reversible, and small impacts remain downstream of the borehole heat exchanger. However, the changes depend strongly on the mineral composition of the formation and the formation water present.

Molecular dynamics simulations of a DMSO/water mixture using the AMBER force field.

PubMed

Stachura, Slawomir S; Malajczuk, Chris J; Mancera, Ricardo L

2018-06-25

Due to its protective properties of biological samples at low temperatures and under desiccation, dimethyl sulfoxide (DMSO) in aqueous solutions has been studied widely by many experimental approaches and molecular dynamics (MD) simulations. In the case of the latter, AMBER is among the most commonly used force fields for simulations of biomolecular systems; however, the parameters for DMSO published by Fox and Kollman in 1998 have only been tested for pure liquid DMSO. We have conducted an MD simulation study of DMSO in a water mixture and computed several structural and dynamical properties such as of the mean density, self-diffusion coefficient, hydrogen bonding and DMSO and water ordering. The AMBER force field of DMSO is seen to reproduce well most of the experimental properties of DMSO in water, with the mixture displaying strong and specific water ordering, as observed in experiments and multiple other MD simulations with other non-polarizable force fields. Graphical abstract Hydration structure within hydrogen-bonding distance around a DMSOmolecule.

Modeling of microstructure evolution in direct metal laser sintering: A phase field approach

NASA Astrophysics Data System (ADS)

Nandy, Jyotirmoy; Sarangi, Hrushikesh; Sahoo, Seshadev

2017-02-01

Direct Metal Laser Sintering (DMLS) is a new technology in the field of additive manufacturing, which builds metal parts in a layer by layer fashion directly from the powder bed. The process occurs within a very short time period with rapid solidification rate. Slight variations in the process parameters may cause enormous change in the final build parts. The physical and mechanical properties of the final build parts are dependent on the solidification rate which directly affects the microstructure of the material. Thus, the evolving of microstructure plays a vital role in the process parameters optimization. Nowadays, the increase in computational power allows for direct simulations of microstructures during materials processing for specific manufacturing conditions. In this study, modeling of microstructure evolution of Al-Si-10Mg powder in DMLS process was carried out by using a phase field approach. A MATLAB code was developed to solve the set of phase field equations, where simulation parameters include temperature gradient, laser scan speed and laser power. The effects of temperature gradient on microstructure evolution were studied and found that with increase in temperature gradient, the dendritic tip grows at a faster rate.

Coupled Heat and Moisture Transport Simulation on the Re-saturation of Engineered Clay Barrier

NASA Astrophysics Data System (ADS)

Huang, W. H.; Chuang, Y. F.

2014-12-01

Engineered clay barrier plays a major role for the isolation of radioactive wastes in a underground repository. This paper investigates the resaturation processes of clay barrier, with emphasis on the coupling effects of heat and moisture during the intrusion of groundwater to the repository. A reference bentonite and a locally available clay were adopted in the laboratory program. Soil suction of clay specimens was measured by psychrometers embedded in clay specimens and by vapor equilibrium technique conducted at varying temperatures so as to determine the soil water characteristic curves of the two clays at different temperatures. And water uptake tests were conducted on clay specimens compacted at various densities to simulate the intrusion of groundwater into the clay barrier. Using the soil water characteristic curve, an integration scheme was introduced to estimate the hydraulic conductivity of unsaturated clay. It was found that soil suction decreases as temperature increases, resulting in a reduction in water retention capability. The finite element method was then employed to carry out the numerical simulation of the saturation process in the near field of a repository. Results of the numerical simulation were validated using the degree of saturation profile obtained from the water uptake tests on the clays. The numerical scheme was then extended to establish a model simulating the resaturation process after the closure of a repository. Finally, the model was then used to evaluate the effect of clay barrier thickness on the time required for groundwater to penetrate the clay barrier and approach saturation. Due to the variation in clay suction and thermal conductivity with temperature of clay barrier material, the calculated temperature field shows a reduction as a result of incorporating the hydro-properties in the calculations.

The Effects of Spectral Nudging on Arctic Temperature and Precipitation Extremes as Produced by the Pan-Arctic WRF

NASA Astrophysics Data System (ADS)

Glisan, J. M.; Gutowski, W. J.; Higgins, M.; Cassano, J. J.

2011-12-01

Pan-Arctic WRF (PAW) simulations produced using the 50-km wr50a domain developed for the fully-coupled Regional Arctic Climate Model (RACM) were found to produce deep atmospheric circulation biases over the northern Pacific Ocean, manifested in pressure, geopotential height, and temperature fields. Various remedies were unsuccessfully tested to correct these large biases, such as modifying the physical domain or using different initial/boundary conditions. Spectral (interior) nudging was introduced as a way of constraining the model to be more consistent with observed behavior. However, such control over numerical model behavior raises concerns over how much nudging may affect unforced variability and extremes. Strong nudging may reduce or filter out extreme events, since the nudging pushes the model toward a relatively smooth, large-scale state. The question then becomes - what is the minimum spectral nudging needed to correct the biases occurring on the RACM domain while not limiting PAW simulation of extreme events? To determine this, case studies were devised, using a six-member PAW ensemble on the RACM grid with varying spectral nudging strength. Two simulations were run, one in the cold season (January 2007) and one in a warm season (July 2007). Precipitation and 2-m temperature fields were extracted from the output and analyzed to determine how changing spectral nudging strength impacts both temporal and spatial temperature and precipitation extremes. The maximum and minimum temperatures at each point from among the ensemble members were examined, on the 95th confidence interval. The maximum and minimums over the simulation period will also be considered. Results suggest that there is a marked lack of sensitivity to the degrees of nudging. Moreover, it appears nudging strength can be considerably smaller than the standard strength and still produce reliably good simulations.

Construction of continuous cooling transformation (CCT) diagram using Gleeble for coarse grained heat affected zone of SA106 grade B steel

NASA Astrophysics Data System (ADS)

Vimalan, G.; Muthupandi, V.; Ravichandran, G.

2018-05-01

A continuous cooling transformation diagram is constructed for simulated coarse grain heat affected zone (CGHAZ) of SA106 grade B carbon steel. Samples are heated to a peak temperature of 1200°C in the Gleeble thermo mechanical simulator and then cooled at different cooling rates varying from 0.1°C/s to 100°C/s. Microstructure of the specimens simulated at different cooling rates were characterised by optical microscopy and hardness was assessed by Vicker's hardness test and micro-hardness test. Transformation temperatures and the corresponding phase fields were identified from dilatometric curves and the same could be confirmed by correlating with the microstructures at room temperature. These data were used to construct the CCT diagram. Phase fields were found to have ferrite, pearlite, bainite and martensite or their combinations. With the help of this CCT diagram it is possible to predict the microstructure and hardness of coarse grain HAZ experiencing different cooling rates. The constructed CCT diagram becomes an important tool in evaluating the weldability of SA106 grade B carbon steel.

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.

An inverse method for estimation of the acoustic intensity in the focused ultrasound field

NASA Astrophysics Data System (ADS)

Yu, Ying; Shen, Guofeng; Chen, Yazhu

2017-03-01

Recently, a new method which based on infrared (IR) imaging was introduced. Authors (A. Shaw, et al and M. R. Myers, et al) have established the relationship between absorber surface temperature and incident intensity during the absorber was irradiated by the transducer. Theoretically, the shorter irradiating time makes estimation more in line with the actual results. But due to the influence of noise and performance constrains of the IR camera, it is hard to identify the difference in temperature with short heating time. An inverse technique is developed to reconstruct the incident intensity distribution using the surface temperature with shorter irradiating time. The algorithm is validated using surface temperature data generated numerically from three-layer model which was developed to calculate the acoustic field in the absorber, the absorbed acoustic energy during the irradiation, and the consequent temperature elevation. To assess the effect of noisy data on the reconstructed intensity profile, in the simulations, the different noise levels with zero mean were superposed on the exact data. Simulation results demonstrate that the inversion technique can provide fairly reliable intensity estimation with satisfactory accuracy.

In-situ temperature field measurements and direct observation of crystal/melt at vertical Bridgman growth of lead chloride under stationary and dynamic arrangement

NASA Astrophysics Data System (ADS)

Král, Robert; Nitsch, Karel

2015-10-01

Influence of growth conditions, i.e. temperature gradient in the furnace and the pulling rate, on the position and the shape of the crystal/melt interface during vertical Bridgman growth was studied. The position and the shape of the crystal/melt interface are a key factor for describing the final quality of growing crystal. Following two methods for characterization of its position and shape were used: (i) direct observation and (ii) direct temperature field measurement during simulated vertical Bridgman growth. As a model compound a lead chloride is used. Three different ampoule positions in two different temperature gradients in the furnace and two experimental arrangements - stationary (0 mm/h pulling rate) and dynamic (3 mm/h pulling rate) were analyzed. Obtained temperature data were projected as 2D planar cut under radial symmetry and denoted as isolevels. Their further conversion by linear approximation into isotherms allowed detail analysis of heat conditions in the system during simulated growth by comparison of isotherms 500 °C (m.p. of lead chloride) at different growth conditions.

A single field of view method for retrieving tropospheric temperature profiles from cloud-contaminated radiance data

NASA Technical Reports Server (NTRS)

Hodges, D. B.

1976-01-01

An iterative method is presented to retrieve single field of view (FOV) tropospheric temperature profiles directly from cloud-contaminated radiance data. A well-defined temperature profile may be calculated from the radiative transfer equation (RTE) for a partly cloudy atmosphere when the average fractional cloud amount and cloud-top height for the FOV are known. A cloud model is formulated to calculate the fractional cloud amount from an estimated cloud-top height. The method is then examined through use of simulated radiance data calculated through vertical integration of the RTE for a partly cloudy atmosphere using known values of cloud-top height(s) and fractional cloud amount(s). Temperature profiles are retrieved from the simulated data assuming various errors in the cloud parameters. Temperature profiles are retrieved from NOAA-4 satellite-measured radiance data obtained over an area dominated by an active cold front and with considerable cloud cover and compared with radiosonde data. The effects of using various guessed profiles and the number of iterations are considered.

Radicals and Reservoirs in the GMI Chemistry and Transport Model: Comparison to Measurements

NASA Technical Reports Server (NTRS)

Douglass, Anne R.; Stolarski, Richard S.; Strahan, Susan E.; Connell, Peter S.

2004-01-01

We have used a three-dimensional chemistry and transport model (CTM), developed under the Global Modeling Initiative (GMI), to carry out two simulations of the composition of the stratosphere under changing halogen loading for 1995 through 2030. The two simulations differ only in that one uses meteorological fields from a general circulation model while the other uses meteorological fields from a data assimilation system. A single year's winds and temperatures are repeated for each 36-year simulation. We compare results from these two simulations with an extensive collection of data from satellite and ground-based measurements for 1993-2000. Comparisons of simulated fields with observations of radical and reservoir species for some of the major ozone-destroying compounds are of similar quality for both simulations. Differences in the upper stratosphere, caused by transport of total reactive nitrogen and methane, impact the balance among the ozone loss processes and the sensitivity of the two simulations to the change in composition.

Coupling Effects of Heat and Moisture on the Saturation Processes of Buffer Material in a Deep Geological Repository

NASA Astrophysics Data System (ADS)

Huang, Wei-Hsing

2017-04-01

Clay barrier plays a major role for the isolation of radioactive wastes in a underground repository. This paper investigates the resaturation behavior of clay barrier, with emphasis on the coupling effects of heat and moisture of buffer material in the near-field of a repository during groundwater intrusion processes. A locally available clay named "Zhisin clay" and a standard bentotine material were adopted in the laboratory program. Water uptake tests were conducted on clay specimens compacted at various densities to simulate the intrusion of groundwater into the buffer material. Soil suction of clay specimens was measured by psychrometers embedded in clay specimens and by vapor equilibrium technique conducted at varying temperatures. Using the soil water characteristic curve, an integration scheme was introduced to estimate the hydraulic conductivity of unsaturated clay. The finite element program ABAQUS was then employed to carry out the numerical simulation of the saturation process in the near field of a repository. Results of the numerical simulation were validated using the degree of saturation profile obtained from the water uptake tests on Zhisin clay. The numerical scheme was then extended to establish a model simulating the resaturation process after the closure of a repository. It was found that, due to the variation in suction and thermal conductivity with temperature of clay barrier material, the calculated temperature field shows a reduction as a result of incorporating the hydro-properties in the calculations.

General kinetic solution for the Biermann battery with an associated pressure anisotropy generation

NASA Astrophysics Data System (ADS)

Schoeffler, K. M.; Silva, L. O.

2018-01-01

Fully kinetic analytic calculations of an initially Maxwellian distribution with arbitrary density and temperature gradients exhibit the development of temperature anisotropies and magnetic field growth associated with the Biermann battery. The calculation, performed by taking a small order expansion of the ratio of the Debye length to the gradient scale, predicts anisotropies and magnetic fields as a function of space given an arbitrary temperature and density profile. These predictions are shown to qualitatively match the values measured from particle-in-cell simulations, where the development of the Weibel instability occurs at the same location and with a wavenumber aligned with the predicted temperature anisotropy.

Anisotropic thermal conduction with magnetic fields in galaxy clusters

NASA Astrophysics Data System (ADS)

Arth, Alexander; Dolag, Klaus; Beck, Alexander; Petkova, Margarita; Lesch, Harald

2015-08-01

Magnetic fields play an important role for the propagation and diffusion of charged particles, which are responsible for thermal conduction. In this poster, we present an implementation of thermal conduction including the anisotropic effects of magnetic fields for smoothed particle hydrodynamics (SPH). The anisotropic thermal conduction is mainly proceeding parallel to magnetic fields and suppressed perpendicular to the fields. We derive the SPH formalism for the anisotropic heat transport and solve the corresponding equation with an implicit conjugate gradient scheme. We discuss several issues of unphysical heat transport in the cases of extreme ansiotropies or unmagnetized regions and present possible numerical workarounds. We implement our algorithm into the cosmological simulation code GADGET and study its behaviour in several test cases. In general, we reproduce the analytical solutions of our idealised test problems, and obtain good results in cosmological simulations of galaxy cluster formations. Within galaxy clusters, the anisotropic conduction produces a net heat transport similar to an isotropic Spitzer conduction model with low efficiency. In contrast to isotropic conduction our new formalism allows small-scale structure in the temperature distribution to remain stable, because of their decoupling caused by magnetic field lines. Compared to observations, strong isotropic conduction leads to an oversmoothed temperature distribution within clusters, while the results obtained with anisotropic thermal conduction reproduce the observed temperature fluctuations well. A proper treatment of heat transport is crucial especially in the outskirts of clusters and also in high density regions. It's connection to the local dynamical state of the cluster also might contribute to the observed bimodal distribution of cool core and non cool core clusters. Our new scheme significantly advances the modelling of thermal conduction in numerical simulations and overall gives better results compared to observations.

Two-dimensional hybrid simulations of kinetic plasma turbulence: Current and vorticity vs proton temperature

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

Franci, Luca; INFN-Sezione di Firenze, Via G. Sansone 1, I-50019 Sesto F.no; Hellinger, Petr, E-mail: petr.hellinger@asu.cas.cz

2016-03-25

Proton temperature anisotropies between the directions parallel and perpendicular to the mean magnetic field are usually observed in the solar wind plasma. Here, we employ a high-resolution hybrid particle-in-cell simulation in order to investigate the relation between spatial properties of the proton temperature and the peaks in the current density and in the flow vorticity. Our results indicate that, although regions where the proton temperature is enhanced and temperature anisotropies are larger correspond approximately to regions where many thin current sheets form, no firm quantitative evidence supports the idea of a direct causality between the two phenomena. On the othermore » hand, quite a clear correlation between the behavior of the proton temperature and the out-of-plane vorticity is obtained.« less

The application of super wavelet finite element on temperature-pressure coupled field simulation of LPG tank under jet fire

NASA Astrophysics Data System (ADS)

Zhao, Bin

2015-02-01

Temperature-pressure coupled field analysis of liquefied petroleum gas (LPG) tank under jet fire can offer theoretical guidance for preventing the fire accidents of LPG tank, the application of super wavelet finite element on it is studied in depth. First, review of related researches on heat transfer analysis of LPG tank under fire and super wavelet are carried out. Second, basic theory of super wavelet transform is studied. Third, the temperature-pressure coupled model of gas phase and liquid LPG under jet fire is established based on the equation of state, the VOF model and the RNG k-ɛ model. Then the super wavelet finite element formulation is constructed using the super wavelet scale function as interpolating function. Finally, the simulation is carried out, and results show that the super wavelet finite element method has higher computing precision than wavelet finite element method.

Electron Heating in Low-Mach-number Perpendicular Shocks. I. Heating Mechanism

NASA Astrophysics Data System (ADS)

Guo, Xinyi; Sironi, Lorenzo; Narayan, Ramesh

2017-12-01

Recent X-ray observations of merger shocks in galaxy clusters have shown that the postshock plasma has two temperatures, with the protons hotter than the electrons. By means of two-dimensional particle-in-cell simulations, we study the physics of electron irreversible heating in low-Mach-number perpendicular shocks, for a representative case with sonic Mach number of 3 and plasma beta of 16. We find that two basic ingredients are needed for electron entropy production: (1) an electron temperature anisotropy, induced by field amplification coupled to adiabatic invariance; and (2) a mechanism to break the electron adiabatic invariance itself. In shocks, field amplification occurs at two major sites: at the shock ramp, where density compression leads to an increase of the frozen-in field; and farther downstream, where the shock-driven proton temperature anisotropy generates strong proton cyclotron and mirror modes. The electron temperature anisotropy induced by field amplification exceeds the threshold of the electron whistler instability. The growth of whistler waves breaks the electron adiabatic invariance and allows for efficient entropy production. For our reference run, the postshock electron temperature exceeds the adiabatic expectation by ≃ 15 % , resulting in an electron-to-proton temperature ratio of ≃ 0.45. We find that the electron heating efficiency displays only a weak dependence on mass ratio (less than ≃ 30 % drop, as we increase the mass ratio from {m}i/{m}e=49 up to {m}i/{m}e=1600). We develop an analytical model of electron irreversible heating and show that it is in excellent agreement with our simulation results.

Effects of a Guide Field on the Larmor Electric Field and Upstream Electron Temperature Anisotropy in Collisionless Asymmetric Magnetic Reconnection

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

Ek-In, Surapat; Ruffolo, David; Malakit, Kittipat

We perform the first study of the properties of the Larmor electric field (LEF) in collisionless asymmetric magnetic reconnection in the presence of an out-of-plane (guide) magnetic field for different sets of representative upstream parameters at Earth’s dayside magnetopause with an ion temperature greater than the electron temperature (the ion-to-electron temperature ratio fixed at 2) using two-dimensional particle-in-cell simulations. We show that the LEF does persist in the presence of a guide field. We study how the LEF thickness and strength change as a function of guide field and the magnetospheric temperature and reconnecting magnetic field strength. We find thatmore » the thickness of the LEF structure decreases, while its magnitude increases when a guide field is added to the reconnecting magnetic field. The added guide field makes the Larmor radius smaller, so the scaling with the magnetospheric ion Larmor radius is similar to that reported for the case without a guide field. Note, however, that the physics causing the LEF is not well understood, so future work in other parameter regimes is needed to fully predict the LEF for arbitrary conditions. We also find that a previously reported upstream electron temperature anisotropy arises in the vicinity of the LEF region both with and without a guide field. We argue that the generation of the anisotropy is linked to the existence of the LEF. The LEF can be used in combination with the electron temperature anisotropy as a signature to effectively identify dayside reconnection sites in observations.« less

Adaptive-Grid Methods for Phase Field Models of Microstructure Development

NASA Technical Reports Server (NTRS)

Provatas, Nikolas; Goldenfeld, Nigel; Dantzig, Jonathan A.

1999-01-01

In this work the authors show how the phase field model can be solved in a computationally efficient manner that opens a new large-scale simulational window on solidification physics. Our method uses a finite element, adaptive-grid formulation, and exploits the fact that the phase and temperature fields vary significantly only near the interface. We illustrate how our method allows efficient simulation of phase-field models in very large systems, and verify the predictions of solvability theory at intermediate undercooling. We then present new results at low undercoolings that suggest that solvability theory may not give the correct tip speed in that regime. We model solidification using the phase-field model used by Karma and Rappel.

Grid effects on the derived ion temperature and ram velocity from the simulated results of the retarding potential analyzer data

NASA Astrophysics Data System (ADS)

Chao, C. K.; Su, S.-Y.; Yeh, H. C.

2003-12-01

The ROCSAT-1 satellite circulating at 600 km altitude in the low- and mid-latitude topside ionosphere carries a retarding potential analyzer to measure the ion composition, temperature, and the plasma flow velocity in the ram direction. Based on an existing three-dimensional model, the particle's motion inside the instrument is simulated with the exact wire and mesh sizes but with a smaller aperture of the real sensor configuration. The simulation results indicate that the retarding grids could not provide a uniform retarding potential barrier to completely repel low energy particles. Some of low energy particles could pass through those grids and arrive at the collector. The leakage will cause the ram velocity to be over-estimated for by about 180 m/sec. Furthermore, the simulated O + temperature derived from the I-V curve is lower than the input temperature due to ion losses from colliding with the grids from the non-uniform potential field generated by the high retarding voltage.

Multi-focused microlens array optimization and light field imaging study based on Monte Carlo method.

PubMed

Li, Tian-Jiao; Li, Sai; Yuan, Yuan; Liu, Yu-Dong; Xu, Chuan-Long; Shuai, Yong; Tan, He-Ping

2017-04-03

Plenoptic cameras are used for capturing flames in studies of high-temperature phenomena. However, simulations of plenoptic camera models can be used prior to the experiment improve experimental efficiency and reduce cost. In this work, microlens arrays, which are based on the established light field camera model, are optimized into a hexagonal structure with three types of microlenses. With this improved plenoptic camera model, light field imaging of static objects and flame are simulated using the calibrated parameters of the Raytrix camera (R29). The optimized models improve the image resolution, imaging screen utilization, and shooting range of depth of field.

Field significance of performance measures in the context of regional climate model evaluation. Part 1: temperature

NASA Astrophysics Data System (ADS)

Ivanov, Martin; Warrach-Sagi, Kirsten; Wulfmeyer, Volker

2018-04-01

A new approach for rigorous spatial analysis of the downscaling performance of regional climate model (RCM) simulations is introduced. It is based on a multiple comparison of the local tests at the grid cells and is also known as "field" or "global" significance. New performance measures for estimating the added value of downscaled data relative to the large-scale forcing fields are developed. The methodology is exemplarily applied to a standard EURO-CORDEX hindcast simulation with the Weather Research and Forecasting (WRF) model coupled with the land surface model NOAH at 0.11 ∘ grid resolution. Monthly temperature climatology for the 1990-2009 period is analysed for Germany for winter and summer in comparison with high-resolution gridded observations from the German Weather Service. The field significance test controls the proportion of falsely rejected local tests in a meaningful way and is robust to spatial dependence. Hence, the spatial patterns of the statistically significant local tests are also meaningful. We interpret them from a process-oriented perspective. In winter and in most regions in summer, the downscaled distributions are statistically indistinguishable from the observed ones. A systematic cold summer bias occurs in deep river valleys due to overestimated elevations, in coastal areas due probably to enhanced sea breeze circulation, and over large lakes due to the interpolation of water temperatures. Urban areas in concave topography forms have a warm summer bias due to the strong heat islands, not reflected in the observations. WRF-NOAH generates appropriate fine-scale features in the monthly temperature field over regions of complex topography, but over spatially homogeneous areas even small biases can lead to significant deteriorations relative to the driving reanalysis. As the added value of global climate model (GCM)-driven simulations cannot be smaller than this perfect-boundary estimate, this work demonstrates in a rigorous manner the clear additional value of dynamical downscaling over global climate simulations. The evaluation methodology has a broad spectrum of applicability as it is distribution-free, robust to spatial dependence, and accounts for time series structure.

Finite Temperature Density Profile in SFDM

NASA Astrophysics Data System (ADS)

Robles, Victor H.; Matos, T.

Recent high-quality observations of low surface brightness (LSB) galaxies have shown that their dark matter (DM) halos prefer flat central density profiles. On the other hand the standard cold dark matter model simulations predict a more cuspy behavior. Feedback from star formation has been widely used to reconcile simulations with observations, this might be successful in field dwarf galaxies but its success in high mass LSB galaxies remains unclear. Additionally, including too much feedback in the simulations is a double-edged sword, in order to obtain a cored DM distribution from an initially cuspy one, feedback recipes require to remove a large quantity of baryons from the center of galaxies, however, other feedback recipes produce twice more satellite galaxies of a given luminosity and with much smaller mass to light ratios from those that are observed. Therefore, one DM profile that produces cores naturally and that does not require large amounts of feedback would be preferable. We find both requirements to be satisfied in the scalar field dark matter model. Here, we consider that the dark matter is an auto-interacting real scalar field in a thermal bath of temperature T with an initial Z 2 symmetric potential, as the universe expands the temperature drops so that the Z 2 symmetry is spontaneously broken and the field rolls down to a new minimum. We give an exact analytic solution to the Newtonian limit of this system and show both, that it satisfies the two desired requirements and that the rotation curve profile is not longer universal.

Unraveling the temperature and voltage dependence of magnetic field effects in organic semiconductors

NASA Astrophysics Data System (ADS)

Janssen, Paul; Wouters, Steinar H. W.; Cox, Matthijs; Koopmans, Bert

2013-11-01

In recent years, it was discovered that the current through an organic semiconductor, sandwiched between two non-magnetic electrodes, can be changed significantly by applying a small magnetic field. This surprisingly large magnetoresistance effect, often dubbed as organic magnetoresistance (OMAR), has puzzled the young field of organic spintronics during the last decade. Here, we present a detailed study on the voltage and temperature dependence of OMAR, aiming to unravel the lineshapes of the magnetic field effects and thereby gain a deeper fundamental understanding of the underlying microscopic mechanism. Using a full quantitative analysis of the lineshapes, we are able to extract all linewidth parameters and the voltage and temperature dependencies are explained with a recently proposed trion mechanism. Moreover, explicit microscopic simulations show a qualitative agreement to the experimental results.

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.

Natural convection in a cubical cavity with a coaxial heated cylinder

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

Aithal, S. M.

High-resolution three-dimensional simulations were conducted to investigate the velocity and temperature fields in a cold cubical cavity due to natural convection induced by a centrally placed hot cylinder. Unsteady, incompressible Navier-Stokes equations were solved by using a spectral- element method for Rayleigh numbers ranging from 103 to 109. The effect of spanwise thermal boundary conditions, aspect ratio (radius of the cylinder to the side of the cavity), and spanwise temperature distribution of the inner cylinder on the velocity and thermal fields were investigated for each Rayleigh number. Results from two-dimensional calculations were compared with three-dimensional simulations. The 3D results indicatemore » a complex flow structure in the vicinity of the spanwise walls. The results also show that the imposed thermal wall boundary condition impacts the flow and temperature fields strongly near the spanwise walls. The variation of the local Nusselt number on the cylinder surface and enclosure walls at various spanwise locations was also investigated. The local Nusselt number on the cylinder surface and enclosure walls at the cavity mid-plane (Z = 0) is close to 2D simulations for 103 ≤ Ra ≤ 108. Simulations also show a variation in the local Nusselt number, on both the cylinder surface and the enclosure walls, in the spanwise direction, for all Rayleigh numbers studied in this work. The results also indicate that if the enclosure walls are insulated in the spanwise direction (as opposed to a constant temperature), the peak Nusselt number on the enclosure surface occurs near the spanwise walls and is about 20% higher than the peak Nusselt number at the cavity mid-plane. The temporal characteristics of 3D flows are also different from 2D results for Ra > 108. These results suggest that 3D simulations would be more appropriate for flows with Ra > 108.« less

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

USGS Publications Warehouse

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

2003-01-01

In this study, the dynamics of soil thermal, hydrologic, and ecosystem processes were coupled to project how the carbon budgets of boreal forests will respond to changes in atmospheric CO2, climate, and fire disturbance. The ability of the model to simulate gross primary production and ecosystem respiration was verified for a mature black spruce ecosystem in Canada, the age-dependent pattern of the simulated vegetation carbon was verified with inventory data on aboveground growth of Alaskan black spruce forests, and the model was applied to a postfire chronosequence in interior Alaska. The comparison between the simulated soil temperature and field-based estimates during the growing season (May to September) of 1997 revealed that the model was able to accurately simulate monthly temperatures at 10 cm (R > 0.93) for control and burned stands of the fire chronosequence. Similarly, the simulated and field-based estimates of soil respiration for control and burned stands were correlated (R = 0.84 and 0.74 for control and burned stands, respectively). The simulated and observed decadal to century-scale dynamics of soil temperature and carbon dynamics, which are represented by mean monthly values of these variables during the growing season, were correlated among stands (R = 0.93 and 0.71 for soil temperature at 20- and 10-cm depths, R = 0.95 and 0.91 for soil respiration and soil carbon, respectively). Sensitivity analyses indicate that along with differences in fire and climate history a number of other factors influence the response of carbon dynamics to fire disturbance. These factors include nitrogen fixation, the growth of moss, changes in the depth of the organic layer, soil drainage, and fire severity.

Effects of Mass Flow Rate on the Thermal-Flow Characteristics of Microwave CO2 Plasma.

PubMed

Hong, Chang-Ki; Na, Young-Ho; Uhm, Han-Sup; Kim, Youn-Jea

2015-03-01

In this study, the thermal-flow characteristics of atmospheric pressure microwave CO2 plasma were numerically investigated by simulation. The electric and gas flow fields in the reaction chamber with a microwave axial injection torch operated at 2.45 GHz were simulated. The microwave launcher had the standard rectangular waveguide WR340 geometry. The simulation was performed by using the COMSOL Multiphysics plasma model with various mass flow rates of CO2. The electric fields, temperature profiles and the density of electrons were graphically depicted for different CO2 inlet mass flow rates.

Criticality of the random field Ising model in and out of equilibrium: A nonperturbative functional renormalization group description

NASA Astrophysics Data System (ADS)

Balog, Ivan; Tarjus, Gilles; Tissier, Matthieu

2018-03-01

We show that, contrary to previous suggestions based on computer simulations or erroneous theoretical treatments, the critical points of the random-field Ising model out of equilibrium, when quasistatically changing the applied source at zero temperature, and in equilibrium are not in the same universality class below some critical dimension dD R≈5.1 . We demonstrate this by implementing a nonperturbative functional renormalization group for the associated dynamical field theory. Above dD R, the avalanches, which characterize the evolution of the system at zero temperature, become irrelevant at large distance, and hysteresis and equilibrium critical points are then controlled by the same fixed point. We explain how to use computer simulation and finite-size scaling to check the correspondence between in and out of equilibrium criticality in a far less ambiguous way than done so far.

Proton fire hose instabilities in the expanding solar wind: Role of oblique magnetic field

NASA Astrophysics Data System (ADS)

Hellinger, Petr

2016-04-01

The double adiabatic (CGL) approximation for the ideal (Parker) interplanetary magnetic field (IMF) predicts generation of the parallel particle temperature anisotropy (T∥ > T⊥) for a nearly radial magnetic field whereas for a strongly oblique IMF generation of the opposite temperature anisotropy is expected. The transition between the two behaviours is expected at around 45o, i.e. around 1 AU in the solar wind in the ecliptic plane. We investigate properties of a proton-electron plasma system in the solar wind using hybrid expanding box simulations starting with an oblique IMF. The simulated system becomes unstable with respect to the parallel and oblique fire hose instabilities and is forced to stay around the corresponding marginal stability. Rotation of the IMF reduces the time system stays near the marginal stability regions and for a strongly transverse IMF the system moves away from the regions unstable with respect to the fire hose instabilities.

Suppression of Electron Thermal Conduction in the Intracluster Medium

NASA Astrophysics Data System (ADS)

Roberg-Clark, Gareth; Drake, James; Swisdak, M.; Reynolds, Christopher S.

2017-08-01

The Intracluster Medium (ICM) contains high-temperature dilute plasma in which the quantity beta, defined as the ratio of the thermal pressure of the gas to the local magnetic field pressure, is much larger than unity. In addition, the collisional mean free path of particles in the ICM is typically large compared to the magnetic gyro-radius of individual particles. These conditions allow for the growth of robust microinstabilities that can significantly alter the transport of particles and heat along the local magnetic field line. Here we explore such an instability using driven two-dimensional Particle-In-Cell simulations of a magnetized plasma with a temperature gradient imposed at the boundaries. The system is highly unstable and develops large-amplitude magnetic fluctuations that effectively scatter the orbits of electrons crossing the simulation domain, resulting in a collisionless suppression of thermal conduction across the temperature gradient and magnetic field. The results suggest that the spontaneous development of small-scale plasma turbulence in the ICM may play a pivotal role in determining the thermal conductivity of ICM-like plasmas.

Simulation study of enhancing laser driven multi-keV line-radiation through application of external magnetic fields

DOE PAGES

Kemp, G. E.; Colvin, J. D.; Blue, B. E.; ...

2016-10-20

Here, we present a path forward for enhancing laser driven, multi-keV line-radiation from mid- to high-Z, sub-quarter-critical density, non-equilibrium plasmas through inhibited thermal transport in the presence of an externally generated magnetic field. Preliminary simulations with Kr and Ag suggest that as much as 50%–100% increases in peak electron temperatures are possible—without any changes in laser drive conditions—with magnetized interactions. The increase in temperature results in ~2–3× enhancements in laser-to-x-ray conversion efficiency for K-shell emission with simultaneous ≲4× reduction in L-shell emission using current field generation capabilities on the Omega laser and near-term capabilities on the National Ignition Facility laser.more » Increased plasma temperatures and enhanced K-shell emission are observed to come at the cost of degraded volumetric heating. Such enhancements in high-photon-energy x-ray sources could expand the existing laser platforms for increasingly penetrating x-ray radiography.« less

Monte Carlo simulations of skin exposure to electromagnetic field from 10 GHz to 1 THz

NASA Astrophysics Data System (ADS)

Sasaki, Kensuke; Mizuno, Maya; Wake, Kanako; Watanabe, Soichi

2017-09-01

In this study, we present an assessment of human-body exposure to an electromagnetic field at frequencies ranging from 10 GHz to 1 THz. The energy absorption and temperature elevation were assessed by solving boundary value problems of the one-dimensional Maxwell equations and a bioheat equation for a multilayer plane model. Dielectric properties were measured in~vitro at frequencies of up to 1 THz at body temperature. A Monte Carlo simulation was conducted to assess variations of the transmittance into a skin surface and temperature elevation inside a body by considering the variation of the tissue thickness due to individual differences among human bodies. Furthermore, the impact of the dielectric properties of adipose tissue on temperature elevation, for which large discrepancies between our present measurement results and those in past works were observed, was also examined. We found that the dielectric properties of adipose tissue do not impact on temperature elevation at frequencies over 30 GHz. The potential risk of skin burn was discussed on the basis of the temperature elevation in millimeter-wave and terahertz-wave exposure. Furthermore, the consistency of the basic restrictions in the international guidelines set by ICNIRP was discussed.

Field Measurements and Numerical Simulations of Temperature and Moisture in Highway Engineering Using a Frequency Domain Reflectometry Sensor.

PubMed

Yao, Yong-Sheng; Zheng, Jian-Long; Chen, Zeng-Shun; Zhang, Jun-Hui; Li, Yong

2016-06-10

This paper presents a systematic pioneering study on the use of agricultural-purpose frequency domain reflectometry (FDR) sensors to monitor temperature and moisture of a subgrade in highway extension and reconstruction engineering. The principle of agricultural-purpose FDR sensors and the process for embedding this kind of sensors for subgrade engineering purposes are introduced. Based on field measured weather data, a numerical analysis model for temperature and moisture content in the subgrade's soil is built. Comparisons of the temperature and moisture data obtained from numerical simulation and FDR-based measurements are conducted. The results show that: (1) the embedding method and process, data acquisition, and remote transmission presented are reasonable; (2) the temperature and moisture changes are coordinated with the atmospheric environment and they are also in close agreement with numerical calculations; (3) the change laws of both are consistent at positions where the subgrade is compacted uniformly. These results suggest that the data measured by the agricultural-purpose FDR sensors are reliable. The findings of this paper enable a new and effective real-time monitoring method for a subgrade's temperature and moisture changes, and thus broaden the application of agricultural-purpose FDR sensors.

A thermo-fluid analysis in magnetic hyperthermia

NASA Astrophysics Data System (ADS)

Iordana, Astefanoaei; Ioan, Dumitru; Alexandra, Stancu; Horia, Chiriac

2014-04-01

In the last years, hyperthermia induced by the heating of magnetic nanoparticles (MNPs) in an alternating magnetic field received considerable attention in cancer therapy. The thermal effects could be automatically controlled by using MNPs with selective magnetic absorption properties. In this paper, we analyze the temperature field determined by the heating of MNPs, injected in a malignant tissue, subjected to an alternating magnetic field. The main parameters which have a strong influence on temperature field are analyzed. The temperature evolution within healthy and tumor tissues are analyzed by finite element method (FEM) simulations in a thermo-fluid model. The cooling effect produced by blood flow in blood vessels from the tumor is considered. A thermal analysis is conducted under different distributions of MNP injection sites. The interdependence between the optimum dose of the nanoparticles and various types of tumors is investigated in order to understand their thermal effect on hyperthermia therapy. The control of the temperature field in the tumor and healthy tissues is an important step in the healing treatment.

Infrared characteristics and flow field of the exhaust plume outside twin engine nozzle

NASA Astrophysics Data System (ADS)

Feng, Yun-song

2016-01-01

For mastery of infrared radiation characteristics and flow field of exhaust plume of twin engine nozzles, first, a physical model of the double rectangular nozzles is established with the Gambit, and the mathematical model of flow field is determined. Secondly, software Fluent6.3 is used to simulated the 3-D exterior flow field of the twin engine nozzles, and the datum of flow field, such as temperature, pressure and density, are obtained. Finally, based on the plume temperature, the exhaust plume space is divided. The exhaust plume is equivalent to a gray-body. A calculating model of the plume infrared radiation is established, and the plume infrared radiation characteristics are calculated by the software MATLAB, then the spatial distribution curves are drawn. The result improves that with the height increasing the temperature, press and infrared radiant intensity diminish. Compared with engine afterburning condition, temperature and infrared radiant intensity increases and press has no obvious change.

Simulation and statistical analysis for the optimization of nitrogen liquefaction plant with cryogenic Claude cycle using process modeling tool: ASPEN HYSYS

NASA Astrophysics Data System (ADS)

Joshi, D. M.

2017-09-01

Cryogenic technology is used for liquefaction of many gases and it has several applications in food process engineering. Temperatures below 123 K are considered to be in the field of cryogenics. Extreme low temperatures are a basic need for many industrial processes and have several applications, such as superconductivity of magnets, space, medicine and gas industries. Several methods can be used to obtain the low temperatures required for liquefaction of gases. The process of cooling or refrigerating a gas to a temperature below its critical temperature so that liquid can be formed at some suitable pressure, which is below the critical pressure, is the basic liquefaction process. Different cryogenic cycle configurations are designed for getting the liquefied form of gases at different temperatures. Each of the cryogenic cycles like Linde cycle, Claude cycle, Kapitza cycle or modified Claude cycle has its own advantages and disadvantages. The placement of heat exchangers, Joule-Thompson valve and turboexpander decides the configuration of a cryogenic cycle. Each configuration has its own efficiency according to the application. Here, a nitrogen liquefaction plant is used for the analysis purpose. The process modeling tool ASPEN HYSYS can provide a software simulation approach before the actual implementation of the plant in the field. This paper presents the simulation and statistical analysis of the Claude cycle with the process modeling tool ASPEN HYSYS. It covers the technique used to optimize the liquefaction of the plant. The simulation results so obtained can be used as a reference for the design and optimization of the nitrogen liquefaction plant. Efficient liquefaction will give the best performance and productivity to the plant.

Monte Carlo grain growth modeling with local temperature gradients

NASA Astrophysics Data System (ADS)

Tan, Y.; Maniatty, A. M.; Zheng, C.; Wen, J. T.

2017-09-01

This work investigated the development of a Monte Carlo (MC) simulation approach to modeling grain growth in the presence of non-uniform temperature field that may vary with time. We first scale the MC model to physical growth processes by fitting experimental data. Based on the scaling relationship, we derive a grid site selection probability (SSP) function to consider the effect of a spatially varying temperature field. The SSP function is based on the differential MC step, which allows it to naturally consider time varying temperature fields too. We verify the model and compare the predictions to other existing formulations (Godfrey and Martin 1995 Phil. Mag. A 72 737-49 Radhakrishnan and Zacharia 1995 Metall. Mater. Trans. A 26 2123-30) in simple two-dimensional cases with only spatially varying temperature fields, where the predicted grain growth in regions of constant temperature are expected to be the same as for the isothermal case. We also test the model in a more realistic three-dimensional case with a temperature field varying in both space and time, modeling grain growth in the heat affected zone of a weld. We believe the newly proposed approach is promising for modeling grain growth in material manufacturing processes that involves time-dependent local temperature gradient.

Nanoscale Probing of Thermal, Stress, and Optical Fields under Near-Field Laser Heating

PubMed Central

Tang, Xiaoduan; Xu, Shen; Wang, Xinwei

2013-01-01

Micro/nanoparticle induced near-field laser ultra-focusing and heating has been widely used in laser-assisted nanopatterning and nanolithography to pattern nanoscale features on a large-area substrate. Knowledge of the temperature and stress in the nanoscale near-field heating region is critical for process control and optimization. At present, probing of the nanoscale temperature, stress, and optical fields remains a great challenge since the heating area is very small (∼100 nm or less) and not immediately accessible for sensing. In this work, we report the first experimental study on nanoscale mapping of particle-induced thermal, stress, and optical fields by using a single laser for both near-field excitation and Raman probing. The mapping results based on Raman intensity variation, wavenumber shift, and linewidth broadening all give consistent conjugated thermal, stress, and near-field focusing effects at a 20 nm resolution (<λ/26, λ = 32 nm). Nanoscale mapping of near-field effects of particles from 1210 down to 160 nm demonstrates the strong capacity of such a technique. By developing a new strategy for physical analysis, we have de-conjugated the effects of temperature, stress, and near-field focusing from the Raman mapping. The temperature rise and stress in the nanoscale heating region is evaluated at different energy levels. High-fidelity electromagnetic and temperature field simulation is conducted to accurately interpret the experimental results. PMID:23555566

A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model

NASA Astrophysics Data System (ADS)

Patel, Sandeep; Brooks, Charles L.

2005-01-01

We study the bulk and interfacial properties of methanol via molecular dynamics simulations using a CHARMM (Chemistry at HARvard Molecular Mechanics) fluctuating charge force field. We discuss the parametrization of the electrostatic model as part of the ongoing CHARMM development for polarizable protein force fields. The bulk liquid properties are in agreement with available experimental data and competitive with existing fixed-charge and polarizable force fields. The liquid density and vaporization enthalpy are determined to be 0.809 g/cm3 and 8.9 kcal/mol compared to the experimental values of 0.787 g/cm3 and 8.94 kcal/mol, respectively. The liquid structure as indicated by radial distribution functions is in keeping with the most recent neutron diffraction results; the force field shows a slightly more ordered liquid, necessarily arising from the enhanced condensed phase electrostatics (as evidenced by an induced liquid phase dipole moment of 0.7 D), although the average coordination with two neighboring molecules is consistent with the experimental diffraction study as well as with recent density functional molecular dynamics calculations. The predicted surface tension of 19.66±1.03 dyn/cm is slightly lower than the experimental value of 22.6 dyn/cm, but still competitive with classical force fields. The interface demonstrates the preferential molecular orientation of molecules as observed via nonlinear optical spectroscopic methods. Finally, via canonical molecular dynamics simulations, we assess the model's ability to reproduce the vapor-liquid equilibrium from 298 to 423 K, the simulation data then used to obtain estimates of the model's critical temperature and density. The model predicts a critical temperature of 470.1 K and critical density of 0.312 g/cm3 compared to the experimental values of 512.65 K and 0.279 g/cm3, respectively. The model underestimates the critical temperature by 8% and overestimates the critical density by 10%, and in this sense is roughly equivalent to the underlying fixed-charge CHARMM22 force field.

Simulation of the Flow Field Associated with a Rocket Thruster Having an Attached Panel

NASA Technical Reports Server (NTRS)

Davoudzadeh, Farhad; Liu, Nan-Suey

2003-01-01

Two-dimensional inviscid and viscous numerical simulations are performed to predict the flow field induced by a H2-O2 rocket thruster and to provide insight into the heat load on the articles placed in the hot gas exhaust of the thruster under a variety of operating conditions, using the National Combustion Code (NCC). The simulations have captured physical details of the flow field, such as the plume formation and expansion, formation of the shock waves and their effects on the temperature and pressure distributions on the walls of the apparatus and the flat panel. Comparison between the computed results for 2-D and adiabatic walls and the related experimental measurements for 3-D and cooled walls shows that the results of the simulations are consistent with those obtained from the related rig tests.

Urban Thermodynamic Island in a Coastal City Analysed from an Optimized Surface Network

NASA Astrophysics Data System (ADS)

Pigeon, Grégoire; Lemonsu, Aude; Long, Nathalie; Barrié, Joël; Masson, Valéry; Durand, Pierre

2006-08-01

Within the framework of ESCOMPTE, a French experiment performed in June and July 2001 in the south-east of France to study the photo-oxidant pollution at the regional scale, the urban boundary layer (UBL) program focused on the study of the urban atmosphere over the coastal city of Marseille. A methodology developed to optimize a network of 20 stations measuring air temperature and moisture over the city is presented. It is based on the analysis of a numerical simulation, performed with the non-hydrostatic, mesoscale Meso-NH model, run with four nested-grids down to a horizontal resolution of 250 m over the city and including a specific parametrization for the urban surface energy balance. A three-day period was modelled and evaluated against data collected during the preparatory phase for the project in summer 2000. The simulated thermodynamic surface fields were analysed using an empirical orthogonal function (EOF) decomposition in order to determine the optimal network configuration designed to capture the dominant characteristics of the fields. It is the first attempt of application of this kind of methodology to the field of urban meteorology. The network, of 20 temperature and moisture sensors, was implemented during the UBL-ESCOMPTE experiment and continuously recorded data from 12 June to 14 July 2001. The measurements were analysed in order to assess the urban thermodynamic island spatio-temporal structure, also using EOF decomposition. During nighttime, the influence of urbanization on temperature is clear the field is characterized by concentric thermo-pleths around the old core of the city, which is the warmest area of the domain. The moisture field is more influenced by proximity to the sea and airflow patterns. During the day, the sea breeze often moves from west or south-west and consequently the spatial pattern for both parameters is characterized by a gradient perpendicular to the shoreline. Finally, in order to assess the methodology adopted, the spatial structures extracted from the simulation of the 2000 preparatory campaign and observations gathered in 2001 have been compared. They are highly correlated, which is a relevant validation of the methodology proposed. The relations between these spatial structures and geographical characteristics of the site have also been studied. High correlations between temperature spatial structure during nighttime and urban cover fraction or street aspect ratio are observed and simulated. For temperature during daytime or moisture during both daytime and nighttime these geographical factors are not correlated with thermodynamic fields spatial structures.

Chemical laser exhaust pipe design research

NASA Astrophysics Data System (ADS)

Sun, Yunqiang; Huang, Zhilong; Chen, Zhiqiang; Ren, Zebin; Guo, Longde

2016-10-01

In order to weaken the chemical laser exhaust gas influence of the optical transmission, a vent pipe is advised to emissions gas to the outside of the optical transmission area. Based on a variety of exhaust pipe design, a flow field characteristic of the pipe is carried out by numerical simulation and analysis in detail. The research results show that for uniform deflating exhaust pipe, although the pipeline structure is cyclical and convenient for engineering implementation, but there is a phenomenon of air reflows at the pipeline entrance slit which can be deduced from the numerical simulation results. So, this type of pipeline structure does not guarantee seal. For the design scheme of putting the pipeline contract part at the end of the exhaust pipe, or using the method of local area or tail contraction, numerical simulation results show that backflow phenomenon still exists at the pipeline entrance slit. Preliminary analysis indicates that the contraction of pipe would result in higher static pressure near the wall for the low speed flow field, so as to produce counter pressure gradient at the entrance slit. In order to eliminate backflow phenomenon at the pipe entrance slit, concerned with the pipeline type of radial size increase gradually along the flow, flow field property in the pipe is analyzed in detail by numerical simulation methods. Numerical simulation results indicate that there is not reflow phenomenon at entrance slit of the dilated duct. However the cold air inhaled in the slit which makes the temperature of the channel wall is lower than the center temperature. Therefore, this kind of pipeline structure can not only prevent the leak of the gas, but also reduce the wall temperature. In addition, compared with the straight pipe connection way, dilated pipe structure also has periodic structure, which can facilitate system integration installation.

Intercomparison of oceanic and atmospheric forced and coupled mesoscale simulations. Part I: Surface fluxes

NASA Astrophysics Data System (ADS)

Josse, P.; Caniaux, G.; Giordani, H.; Planton, S.

1999-04-01

A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer to the atmosphere is highly non-local and enhanced in the coupled simulation.

Molecular-dynamic simulations of the thermophysical properties of hexanitrohexaazaisowurtzitane single crystal at high pressures and temperatures

NASA Astrophysics Data System (ADS)

Kozlova, S. A.; Gubin, S. A.; Maklashova, I. V.; Selezenev, A. A.

2017-11-01

Molecular dynamic simulations of isothermal compression parameters are performed for a hexanitrohexaazaisowurtzitane single crystal (C6H6O12N12) using a modified ReaxFF-log reactive force field. It is shown that the pressure-compression ratio curve for a single C6H6O12N12 crystal at constant temperature T = 300 K in pressure range P = 0.05-40 GPa is in satisfactory agreement with experimental compression isotherms obtained for a single C6H6O12N12 crystal. Hugoniot molecular-dynamic simulations of the shock-wave hydrostatic compression of a single C6H6O12N12 crystal are performed. Along with Hugoniot temperature-pressure curves, calculated shock-wave pressure-compression ratios for a single C6H6O12N12 crystal are obtained for a wide pressure range of P = 1-40 GPa. It is established that the percussive adiabat obtained for a single C6H6O12N12 crystal is in a good agreement with the experimental data. All calculations are performed using a LAMMPS molecular dynamics simulation software package that provides a ReaxFF-lg reactive force field to support the approach.

Measurement of Apparent Thermal Conductivity of JSC-1A Under Ambient Pressure

NASA Technical Reports Server (NTRS)

Yuan, Zeng-Guang; Kleinhenz, Julie E.

2011-01-01

The apparent thermal conductivity of JSC-1A lunar regolith simulant was measured experimentally using a cylindrical apparatus. Eleven thermocouples were embedded in the simulant bed to obtain the steady state temperature distribution at various radial, axial, and azimuthal locations. The high aspect ratio of a cylindrical geometry was proven to provide a one-dimensional, axisymmetric temperature field. A test series was performed at atmospheric pressure with varying heat fluxes. The radial temperature distribution in each test fit a logarithmic function, indicating a constant thermal conductivity throughout the soil bed. However, thermal conductivity was not constant between tests at different heat fluxes. This variation is attributed to stresses created by thermal expansion of the simulant particles against the rigid chamber wall. Under stress-free conditions (20 deg C), the data suggest a temperature independent apparent conductivity of 0.1961 +/- 0.0070 W/m/ deg C

List-Based Simulated Annealing Algorithm for Traveling Salesman Problem.

PubMed

Zhan, Shi-hua; Lin, Juan; Zhang, Ze-jun; Zhong, Yi-wen

2016-01-01

Simulated annealing (SA) algorithm is a popular intelligent optimization algorithm which has been successfully applied in many fields. Parameters' setting is a key factor for its performance, but it is also a tedious work. To simplify parameters setting, we present a list-based simulated annealing (LBSA) algorithm to solve traveling salesman problem (TSP). LBSA algorithm uses a novel list-based cooling schedule to control the decrease of temperature. Specifically, a list of temperatures is created first, and then the maximum temperature in list is used by Metropolis acceptance criterion to decide whether to accept a candidate solution. The temperature list is adapted iteratively according to the topology of the solution space of the problem. The effectiveness and the parameter sensitivity of the list-based cooling schedule are illustrated through benchmark TSP problems. The LBSA algorithm, whose performance is robust on a wide range of parameter values, shows competitive performance compared with some other state-of-the-art algorithms.

Estimation of activation energy for electroporation and pore growth rate in liquid crystalline and gel phases of lipid bilayers using molecular dynamics simulations.

PubMed

Majhi, Amit Kumar; Kanchi, Subbarao; Venkataraman, V; Ayappa, K G; Maiti, Prabal K

2015-11-28

Molecular dynamics simulations of electroporation in POPC and DPPC lipid bilayers have been carried out at different temperatures ranging from 230 K to 350 K for varying electric fields. The dynamics of pore formation, including threshold field, pore initiation time, pore growth rate, and pore closure rate after the field is switched off, was studied in both the gel and liquid crystalline (Lα) phases of the bilayers. Using an Arrhenius model of pore initiation kinetics, the activation energy for pore opening was estimated to be 25.6 kJ mol(-1) and 32.6 kJ mol(-1) in the Lα phase of POPC and DPPC lipids respectively at a field strength of 0.32 V nm(-1). The activation energy decreases to 24.2 kJ mol(-1) and 23.7 kJ mol(-1) respectively at a higher field strength of 1.1 V nm(-1). At temperatures below the melting point, the activation energy in the gel phase of POPC and DPPC increases to 28.8 kJ mol(-1) and 34.4 kJ mol(-1) respectively at the same field of 1.1 V nm(-1). The pore closing time was found to be higher in the gel than in the Lα phase. The pore growth rate increases linearly with temperature and quadratically with field, consistent with viscosity limited growth models.

Multi-frequency ICRF diagnostic of Tokamak plasmas

NASA Astrophysics Data System (ADS)

Lafonteese, David James

This thesis explores the diagnostic possibilities of a fast wave-based method for measuring the ion density and temperature profiles of tokamak plasmas. In these studies fast waves are coupled to the plasma at frequencies at the second harmonic of the ion gyrofrequency, at which wave energy is absorbed by the finite-temperature ions. As the ion gyrofrequency is dependent upon the local magnetic field, which varies as l/R in a tokamak, this power absorption is radially localized. The simultaneous launching of multiple frequencies, all resonating at different plasma positions, allows local measurements of the ion density and temperature. To investigate the profile applications of wave damping measurements in a simulated tokamak, an inhouse slab-model ICRF code is developed. A variety of analysis methods are presented, and ion density and temperature profiles are reconstructed for hydrogen plasmas for the Electric Tokamak (ET) and ITER parameter spaces. These methods achieve promising results in simulated plasmas featuring bulk ion heating, off-axis RF heating, and density ramps. The experimental results of similar studies on the Electric Tokamak, a high aspect ratio (R/a = 5), low toroidal field (2.2 kG) device are then presented. In these studies, six fast wave frequencies were coupled using a single-strap, low-field-side antenna to ET plasmas. The frequencies were variable, and could be tuned to resonate at different radii for different experiments. Four magnetic pickup loops were used to measure of the toroidal component of the wave magnetic field. The expected greater eigenmode damping of center-resonant frequencies versus edge-resonant frequencies is consistently observed. Comparison of measured aspects of fast wave behavior in ET is made with the slab code predictions, which validate the code simulations under weakly-damped conditions. A density profile is measured for an ET discharge through analysis of the fast wave measurements, and is compared to an electron density profile derived from Thomson scattering data. The methodology behind a similar measurement of the ion temperature profile is also presented.

Technical Note: On the use of nudging for aerosol–climate model intercomparison studies

DOE PAGES

Zhang, K.; Wan, H.; Liu, X.; ...

2014-08-26

Nudging as an assimilation technique has seen increased use in recent years in the development and evaluation of climate models. Constraining the simulated wind and temperature fields using global weather reanalysis facilitates more straightforward comparison between simulation and observation, and reduces uncertainties associated with natural variabilities of the large-scale circulation. On the other hand, the forcing introduced by nudging can be strong enough to change the basic characteristics of the model climate. In the paper we show that for the Community Atmosphere Model version 5 (CAM5), due to the systematic temperature bias in the standard model and the sensitivity ofmore » simulated ice formation to anthropogenic aerosol concentration, nudging towards reanalysis results in substantial reductions in the ice cloud amount and the impact of anthropogenic aerosols on long-wave cloud forcing. In order to reduce discrepancies between the nudged and unconstrained simulations, and meanwhile take the advantages of nudging, two alternative experimentation methods are evaluated. The first one constrains only the horizontal winds. The second method nudges both winds and temperature, but replaces the long-term climatology of the reanalysis by that of the model. Results show that both methods lead to substantially improved agreement with the free-running model in terms of the top-of-atmosphere radiation budget and cloud ice amount. The wind-only nudging is more convenient to apply, and provides higher correlations of the wind fields, geopotential height and specific humidity between simulation and reanalysis. Results from both CAM5 and a second aerosol–climate model ECHAM6-HAM2 also indicate that compared to the wind-and-temperature nudging, constraining only winds leads to better agreement with the free-running model in terms of the estimated shortwave cloud forcing and the simulated convective activities. This suggests nudging the horizontal winds but not temperature is a good strategy for the investigation of aerosol indirect effects since it provides well-constrained meteorology without strongly perturbing the model's mean climate.« less

Technical Note: On the use of nudging for aerosol-climate model intercomparison studies

NASA Astrophysics Data System (ADS)

Zhang, K.; Wan, H.; Liu, X.; Ghan, S. J.; Kooperman, G. J.; Ma, P.-L.; Rasch, P. J.; Neubauer, D.; Lohmann, U.

2014-08-01

Nudging as an assimilation technique has seen increased use in recent years in the development and evaluation of climate models. Constraining the simulated wind and temperature fields using global weather reanalysis facilitates more straightforward comparison between simulation and observation, and reduces uncertainties associated with natural variabilities of the large-scale circulation. On the other hand, the forcing introduced by nudging can be strong enough to change the basic characteristics of the model climate. In the paper we show that for the Community Atmosphere Model version 5 (CAM5), due to the systematic temperature bias in the standard model and the sensitivity of simulated ice formation to anthropogenic aerosol concentration, nudging towards reanalysis results in substantial reductions in the ice cloud amount and the impact of anthropogenic aerosols on long-wave cloud forcing. In order to reduce discrepancies between the nudged and unconstrained simulations, and meanwhile take the advantages of nudging, two alternative experimentation methods are evaluated. The first one constrains only the horizontal winds. The second method nudges both winds and temperature, but replaces the long-term climatology of the reanalysis by that of the model. Results show that both methods lead to substantially improved agreement with the free-running model in terms of the top-of-atmosphere radiation budget and cloud ice amount. The wind-only nudging is more convenient to apply, and provides higher correlations of the wind fields, geopotential height and specific humidity between simulation and reanalysis. Results from both CAM5 and a second aerosol-climate model ECHAM6-HAM2 also indicate that compared to the wind-and-temperature nudging, constraining only winds leads to better agreement with the free-running model in terms of the estimated shortwave cloud forcing and the simulated convective activities. This suggests nudging the horizontal winds but not temperature is a good strategy for the investigation of aerosol indirect effects since it provides well-constrained meteorology without strongly perturbing the model's mean climate.

Imaging lateral groundwater flow in the shallow subsurface using stochastic temperature fields

NASA Astrophysics Data System (ADS)

Fairley, Jerry P.; Nicholson, Kirsten N.

2006-04-01

Although temperature has often been used as an indication of vertical groundwater movement, its usefulness for identifying horizontal fluid flow has been limited by the difficulty of obtaining sufficient data to draw defensible conclusions. Here we use stochastic simulation to develop a high-resolution image of fluid temperatures in the shallow subsurface at Borax Lake, Oregon. The temperature field inferred from the geostatistical simulations clearly shows geothermal fluids discharging from a group of fault-controlled hydrothermal springs, moving laterally through the subsurface, and mixing with shallow subsurface flow originating from nearby Borax Lake. This interpretation of the data is supported by independent geochemical and isotopic evidence, which show a simple mixing trend between Borax Lake water and discharge from the thermal springs. It is generally agreed that stochastic simulation can be a useful tool for extracting information from complex and/or noisy data and, although not appropriate in all situations, geostatistical analysis may provide good definition of flow paths in the shallow subsurface. Although stochastic imaging techniques are well known in problems involving transport of species, e.g. delineation of contaminant plumes from soil gas survey data, we are unaware of previous applications to the transport of thermal energy for the purpose of inferring shallow groundwater flow.

Comparisons of observed seasonal climate features with a winter and summer numerical simulation produced with the GLAS general circulation model

NASA Technical Reports Server (NTRS)

Halem, M.; Shukla, J.; Mintz, Y.; Wu, M. L.; Godbole, R.; Herman, G.; Sud, Y.

1979-01-01

Results are presented from numerical simulations performed with the general circulation model (GCM) for winter and summer. The monthly mean simulated fields for each integration are compared with observed geographical distributions and zonal averages. In general, the simulated sea level pressure and upper level geopotential height field agree well with the observations. Well simulated features are the winter Aleutian and Icelandic lows, the summer southwestern U.S. low, the summer and winter oceanic subtropical highs in both hemispheres, and the summer upper level Tibetan high and Atlantic ridge. The surface and upper air wind fields in the low latitudes are in good agreement with the observations. The geographical distirbutions of the Earth-atmosphere radiation balance and of the precipitation rates over the oceans are well simulated, but not all of the intensities of these features are correct. Other comparisons are shown for precipitation along the ITCZ, rediation balance, zonally averaged temperatures and zonal winds, and poleward transports of momentum and sensible heat.

Global Simulation of Proton Precipitation Due to Field Line Curvature During Substorms

NASA Technical Reports Server (NTRS)

Gilson, M. L.; Raeder, J.; Donovan, E.; Ge, Y. S.; Kepko, L.

2012-01-01

The low latitude boundary of the proton aurora (known as the Isotropy Boundary or IB) marks an important boundary between empty and full downgoing loss cones. There is significant evidence that the IB maps to a region in the magnetosphere where the ion gyroradius becomes comparable to the local field line curvature. However, the location of the IB in the magnetosphere remains in question. In this paper, we show simulated proton precipitation derived from the Field Line Curvature (FLC) model of proton scattering and a global magnetohydrodynamic simulation during two substorms. The simulated proton precipitation drifts equatorward during the growth phase, intensifies at onset and reproduces the azimuthal splitting published in previous studies. In the simulation, the pre-onset IB maps to 7-8 RE for the substorms presented and the azimuthal splitting is caused by the development of the substorm current wedge. The simulation also demonstrates that the central plasma sheet temperature can significantly influence when and where the azimuthal splitting takes place.

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

Farmer, W. A.; Koning, J. M.; Strozzi, D. J.

Here, we present radiation-hydrodynamic simulations of self-generated magnetic field in a hohlraum, which show an increased temperature in large regions of the underdense fill. Non-parallel gradients in electron density and temperature in a laser-heated plasma give rise to a self-generated field by the “Biermann battery” mechanism. Here, HYDRA simulations of three hohlraum designs on the National Ignition Facility are reported, which use a partial magnetohydrodynamic (MHD) description that includes the self-generated source term, resistive dissipation, and advection of the field due to both the plasma flow and the Nernst term. Anisotropic electron heat conduction parallel and perpendicular to the fieldmore » is included, but not the Righi-Leduc heat flux. The field strength is too small to compete significantly with plasma pressure, but affects plasma conditions by reducing electron heat conduction perpendicular to the field. Significant reductions in heat flux can occur, especially for high Z plasma, at modest values of the Hall parameter, Ω eτ ei≲1, where Ω e = eB/m ec and τ ei is the electron-ion collision time. The inclusion of MHD in the simulations leads to 1 keV hotter electron temperatures in the laser entrance hole and high- Z wall blowoff, which reduces inverse-bremsstrahlung absorption of the laser beam. This improves propagation of the inner beams pointed at the hohlraum equator, resulting in a symmetry shift of the resulting capsule implosion towards a more prolate shape. The time of peak x-ray production in the capsule shifts later by only 70 ps (within experimental uncertainty), but a decomposition of the hotspot shape into Legendre moments indicates a shift of P 2/P 0 by ~20%. As a result, this indicates that MHD cannot explain why simulated x-ray drive exceeds measured levels, but may be partially responsible for failures to correctly model the symmetry.« less

Wetting and motion behaviors of water droplet on graphene under thermal-electric coupling field

NASA Astrophysics Data System (ADS)

Zhang, Zhong-Qiang; Dong, Xin; Ye, Hong-Fei; Cheng, Guang-Gui; Ding, Jian-Ning; Ling, Zhi-Yong

2015-02-01

Wetting dynamics and motion behaviors of a water droplet on graphene are characterized under the electric-thermal coupling field using classical molecular dynamics simulation method. The water droplet on graphene can be driven by the temperature gradient, while the moving direction is dependent on the electric field intensity. Concretely, the water droplet on graphene moves from the low temperature region to the high temperature region for the relatively weak electric field intensity. The motion acceleration increases with the electric field intensity on graphene, whereas the moving direction switches when the electric field intensity increases up to a threshold. The essence is the change from hydrophilic to hydrophobic for the water droplet on graphene at a threshold of the electric field intensity. Moreover, the driven force of the water droplet caused by the overall oscillation of graphene has important influence on the motion behaviors. The results are helpful to control the wettability of graphene and further develop the graphene-based fluidic nanodevices.

Electric-field-induced modification in Curie temperature of Co monolayer on Pt(111)

NASA Astrophysics Data System (ADS)

Nakamura, Kohji; Oba, Mikito; Akiyama, Toru; Ito, Tomonori; Weinert, Michael

2015-03-01

Magnetism induced by an external electric field (E-field) has received much attention as a potential approach for controlling magnetism at the nano-scale with the promise of ultra-low energy power consumption. Here, the E-field-induced modification of the Curie temperature for a prototypical transition-metal thin layer of a Co monolayer on Pt(111) is investigated by first-principles calculations by using the full-potential linearized augmented plane wave method that treats spin-spiral structures in an E-field. An applied E-field modifies the magnon (spin-spiral formation) energies by a few meV, which leads to a modification of the exchange pair interaction parameters within the classical Heisenberg model. With inclusion of the spin-orbit coupling (SOC), the magnetocrystalline anisotropy and the Dzyaloshinskii-Morita interaction are obtained by the second variation SOC method. An E-field-induced modification of the Curie temperature is demonstrated by Monte Carlo simulations, in which a change in the exchange interaction is found to play a key role.

One-dimensional soil temperature assimilation experiment based on unscented particle filter and Common Land Model

NASA Astrophysics Data System (ADS)

Fu, Xiao Lei; Jin, Bao Ming; Jiang, Xiao Lei; Chen, Cheng

2018-06-01

Data assimilation is an efficient way to improve the simulation/prediction accuracy in many fields of geosciences especially in meteorological and hydrological applications. This study takes unscented particle filter (UPF) as an example to test its performance at different two probability distribution, Gaussian and Uniform distributions with two different assimilation frequencies experiments (1) assimilating hourly in situ soil surface temperature, (2) assimilating the original Moderate Resolution Imaging Spectroradiometer (MODIS) Land Surface Temperature (LST) once per day. The numerical experiment results show that the filter performs better when increasing the assimilation frequency. In addition, UPF is efficient for improving the soil variables (e.g., soil temperature) simulation/prediction accuracy, though it is not sensitive to the probability distribution for observation error in soil temperature assimilation.

Variational assimilation of VAS data into the mass model

NASA Technical Reports Server (NTRS)

Cram, J. M.; Kaplan, M. L.

1984-01-01

Experiments are reported in which VAS data at 1200, 1500, and 1800 GMT 20 July 1981 were assimilated using both the adiabatic and full physics version of the Mesoscale Atmospheric Simulation System (MASS). A nonassimilation forecast is compared with forecasts assimilating temperature gradients only and forecasts assimilating both temperature and humidity gradients. The effects of successive vs single assimilations are also examined. It is noted that the greatest improvements to the forecast resulted when the VAS data resolved the mesoscale structure of the temperature and relative humidity fields. When this structure was assimilated into MASS, the ensuing simulations more clearly defined a mesoscale structure in the developing instabilities.

A framework to simulate small shallow inland water bodies in semi-arid regions

NASA Astrophysics Data System (ADS)

Abbasi, Ali; Ohene Annor, Frank; van de Giesen, Nick

2017-12-01

In this study, a framework for simulating the flow field and heat transfer processes in small shallow inland water bodies has been developed. As the dynamics and thermal structure of these water bodies are crucial in studying the quality of stored water , and in assessing the heat fluxes from their surfaces as well, the heat transfer and temperature simulations were modeled. The proposed model is able to simulate the full 3-D water flow and heat transfer in the water body by applying complex and time varying boundary conditions. In this model, the continuity, momentum and temperature equations together with the turbulence equations, which comprise the buoyancy effect, have been solved. This model is built on the Reynolds Averaged Navier Stokes (RANS) equations with the widely used Boussinesq approach to solve the turbulence issues of the flow field. Micrometeorological data were obtained from an Automatic Weather Station (AWS) installed on the site and combined with field bathymetric measurements for the model. In the framework developed, a simple, applicable and generalizable approach is proposed for preparing the geometry of small shallow water bodies using coarsely measured bathymetry. All parts of the framework are based on open-source tools, which is essential for developing countries.

A model for microwave emission from vegetation-covered fields

NASA Technical Reports Server (NTRS)

Mo, T.; Choudhury, B. J.; Schmugge, T. J.; Wang, J. R.; Jackson, T. J.

1982-01-01

The measured brightness temperatures over vegetation-covered fields are simulated by a radiative transfer model which treats the vegetation as a uniform canopy with a constant temperature, over a moist soil which emits polarized microwave radiation. The analytic formula for the microwave emission has four parameters: roughness height, polarization mixing factor, effective canopy optical thickness, and single scattering albedo. A good representation has been obtained with the model for both the horizontally and vertically polarized brightness temperatures at 1.4 and 5 GHz frequencies, over fields covered with grass, soybean and corn. A directly proportional relation is found between effective canopy optical thickness and the amount of water present in the vegetation canopy. The effective canopy single scattering albedo depends on vegetation type.

Evaluating the performance of coupled snow-soil models in SURFEXv8 to simulate the permafrost thermal regime at a high Arctic site

NASA Astrophysics Data System (ADS)

Barrere, Mathieu; Domine, Florent; Decharme, Bertrand; Morin, Samuel; Vionnet, Vincent; Lafaysse, Matthieu

2017-09-01

Climate change projections still suffer from a limited representation of the permafrost-carbon feedback. Predicting the response of permafrost temperature to climate change requires accurate simulations of Arctic snow and soil properties. This study assesses the capacity of the coupled land surface and snow models ISBA-Crocus and ISBA-ES to simulate snow and soil properties at Bylot Island, a high Arctic site. Field measurements complemented with ERA-Interim reanalyses were used to drive the models and to evaluate simulation outputs. Snow height, density, temperature, thermal conductivity and thermal insulance are examined to determine the critical variables involved in the soil and snow thermal regime. Simulated soil properties are compared to measurements of thermal conductivity, temperature and water content. The simulated snow density profiles are unrealistic, which is most likely caused by the lack of representation in snow models of the upward water vapor fluxes generated by the strong temperature gradients within the snowpack. The resulting vertical profiles of thermal conductivity are inverted compared to observations, with high simulated values at the bottom of the snowpack. Still, ISBA-Crocus manages to successfully simulate the soil temperature in winter. Results are satisfactory in summer, but the temperature of the top soil could be better reproduced by adequately representing surface organic layers, i.e., mosses and litter, and in particular their water retention capacity. Transition periods (soil freezing and thawing) are the least well reproduced because the high basal snow thermal conductivity induces an excessively rapid heat transfer between the soil and the snow in simulations. Hence, global climate models should carefully consider Arctic snow thermal properties, and especially the thermal conductivity of the basal snow layer, to perform accurate predictions of the permafrost evolution under climate change.

Computational fluid dynamic on the temperature simulation of air preheat effect combustion in propane turbulent flame

NASA Astrophysics Data System (ADS)

Elwina; Yunardi; Bindar, Yazid

2018-04-01

this paper presents results obtained from the application of a computational fluid dynamics (CFD) code Fluent 6.3 to modelling of temperature in propane flames with and without air preheat. The study focuses to investigate the effect of air preheat temperature on the temperature of the flame. A standard k-ε model and Eddy Dissipation model are utilized to represent the flow field and combustion of the flame being investigated, respectively. The results of calculations are compared with experimental data of propane flame taken from literature. The results of the study show that a combination of the standard k-ε turbulence model and eddy dissipation model is capable of producing reasonable predictions of temperature, particularly in axial profile of all three flames. Both experimental works and numerical simulation showed that increasing the temperature of the combustion air significantly increases the flame temperature.

Numerical Simulation of Non-Thermal Food Preservation

NASA Astrophysics Data System (ADS)

Rauh, C.; Krauss, J.; Ertunc, Ö.; Delgado, a.

2010-09-01

Food preservation is an important process step in food technology regarding product safety and product quality. Novel preservation techniques are currently developed, that aim at improved sensory and nutritional value but comparable safety than in conventional thermal preservation techniques. These novel non-thermal food preservation techniques are based for example on high pressures up to one GPa or pulsed electric fields. in literature studies the high potential of high pressures (HP) and of pulsed electric fields (PEF) is shown due to their high retention of valuable food components as vitamins and flavour and selective inactivation of spoiling enzymes and microorganisms. for the design of preservation processes based on the non-thermal techniques it is crucial to predict the effect of high pressure and pulsed electric fields on the food components and on the spoiling enzymes and microorganisms locally and time-dependent in the treated product. Homogenous process conditions (especially of temperature fields in HP and PEF processing and of electric fields in PEF) are aimed at to avoid the need of over-processing and the connected quality loss and to minimize safety risks due to under-processing. the present contribution presents numerical simulations of thermofluiddynamical phenomena inside of high pressure autoclaves and pulsed electric field treatment chambers. in PEF processing additionally the electric fields are considered. Implementing kinetics of occurring (bio-) chemical reactions in the numerical simulations of the temperature, flow and electric fields enables the evaluation of the process homogeneity and efficiency connected to different process parameters of the preservation techniques. Suggestions to achieve safe and high quality products are concluded out of the numerical results.

Effect of altered gravity on temperature regulation in mammals: Investigation of gravity effect on temperature regulation in mammals

NASA Technical Reports Server (NTRS)

Horwitz, B. A.; Horowitz, J. M.

1977-01-01

Male, Long-Evans hooded rats were instrumented for monitoring core and hypothalamic temperatures as well as shivering and nonshivering thermogenesis in response to decreased ambient temperature in order to characterize the nature of the neural controller of temperature in rats at 1G and evaluate chronic implantation techniques for the monitoring of appropriate parameters at hypergravic fields. The thermoregulatory responses of cold-exposed rats at 2G were compared to those at 1G. A computer model was developed to simulate the thermoregulatory system in the rat. Observations at 1 and 2G were extended to acceleration fields of 1.5, 3.0 and 4.0G and the computer model was modified for application to altered gravity conditions. Changes in the acceleration field resulted in inadequate heat generation rather than increased heat loss. Acceleration appears to impair the ability of the neurocontroller to appropriately integrate input signals for body temperature maintenance.

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.

Laser propagation and soliton generation in strongly magnetized plasmas

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

Feng, W.; Li, J. Q.; Kishimoto, Y.

The propagation characteristics of various laser modes with different polarization, as well as the soliton generation in strongly magnetized plasmas are studied numerically through one-dimensional (1D) particle-in-cell (PIC) simulations and analytically by solving the laser wave equation. PIC simulations show that the laser heating efficiency substantially depends on the magnetic field strength, the propagation modes of the laser pulse and their intensities. Generally, large amplitude laser can efficiently heat the plasma with strong magnetic field. Theoretical analyses on the linear propagation of the laser pulse in both under-dense and over-dense magnetized plasmas are well confirmed by the numerical observations. Mostmore » interestingly, it is found that a standing or moving soliton with frequency lower than the laser frequency is generated in certain magnetic field strength and laser intensity range, which can greatly enhance the laser heating efficiency. The range of magnetic field strength for the right-hand circularly polarized (RCP) soliton formation with high and low frequencies is identified by solving the soliton equations including the contribution of ion's motion and the finite temperature effects under the quasi-neutral approximation. In the limit of immobile ions, the RCP soliton tends to be peaked and stronger as the magnetic field increases, while the enhanced soliton becomes broader as the temperature increases. These findings in 1D model are well validated by 2D simulations.« less

3D Numerical Simulation of Turbulent Buoyant Flow and Heat Transport in a Curved Open Channel

USDA-ARS?s Scientific Manuscript database

A three-dimensional buoyancy-extended version of kappa-epsilon turbulence model was developed for simulating the turbulent flow and heat transport in a curved open channel. The density- induced buoyant force was included in the model, and the influence of temperature stratification on flow field was...

Simulating the room-temperature dynamic motion of a ferromagnetic vortex in a bistable potential

NASA Astrophysics Data System (ADS)

Haber, E.; Badea, R.; Berezovsky, J.

2018-05-01

The ability to precisely and reliably control the dynamics of ferromagnetic (FM) vortices could lead to novel nonvolatile memory devices and logic gates. Intrinsic and fabricated defects in the FM material can pin vortices and complicate the dynamics. Here, we simulated switching a vortex between bistable pinning sites using magnetic field pulses. The dynamic motion was modeled with the Thiele equation for a massless, rigid vortex subject to room-temperature thermal noise. The dynamics were explored both when the system was at zero temperature and at room-temperature. The probability of switching for different pulses was calculated, and the major features are explained using the basins of attraction map of the two pinning sites.

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.

3D Resistive MHD Simulations of Formation, Compression, and Acceleration of Compact Tori

NASA Astrophysics Data System (ADS)

Woodruff, Simon; Meyer, Thomas; Stuber, James; Romero-Talamas, Carlos; Brown, Michael; Kaur, Manjit; Schaffner, David

2017-10-01

We present results from extended resistive 3D MHD simulations (NIMROD) pertaining to a new formation method for toroidal plasmas using a reconnection region that forms in a radial implosion, and results from the acceleration of CTs along a drift tube that are accelerated by a coil and are allowed to go tilt unstable and form a helical minimum energy state. The new formation method results from a reconnection region that is generated between two magnetic compression coils that are ramped to 320kV in 2 μs. When the compressing field is aligned anti-parallel to a pre-existing CT, a current sheet and reconnection region forms that accelerates plasma radially inwards up to 500km/s which stagnates and directed energy converts to thermal, raising temperatures to 500eV. When field is aligned parallel to the pre-existing CT, the configuration can be accelerated along a drift tube. For certain ratios of magnetic field to density, the CT goes tilt-unstable forming a twisted flux rope, which can also be accelerated and stagnated on an end wall, where temperature and field increases as the plasma compresses. We compare simulation results with adiabatic scaling relations. Work supported by ARPA-E ALPHA program and DARPA.

Propagation of finite amplitude sound through turbulence: Modeling with geometrical acoustics and the parabolic approximation

NASA Astrophysics Data System (ADS)

Blanc-Benon, Philippe; Lipkens, Bart; Dallois, Laurent; Hamilton, Mark F.; Blackstock, David T.

2002-01-01

Sonic boom propagation can be affected by atmospheric turbulence. It has been shown that turbulence affects the perceived loudness of sonic booms, mainly by changing its peak pressure and rise time. The models reported here describe the nonlinear propagation of sound through turbulence. Turbulence is modeled as a set of individual realizations of a random temperature or velocity field. In the first model, linear geometrical acoustics is used to trace rays through each realization of the turbulent field. A nonlinear transport equation is then derived along each eigenray connecting the source and receiver. The transport equation is solved by a Pestorius algorithm. In the second model, the KZK equation is modified to account for the effect of a random temperature field and it is then solved numerically. Results from numerical experiments that simulate the propagation of spark-produced N waves through turbulence are presented. It is observed that turbulence decreases, on average, the peak pressure of the N waves and increases the rise time. Nonlinear distortion is less when turbulence is present than without it. The effects of random vector fields are stronger than those of random temperature fields. The location of the caustics and the deformation of the wave front are also presented. These observations confirm the results from the model experiment in which spark-produced N waves are used to simulate sonic boom propagation through a turbulent atmosphere.

Propagation of finite amplitude sound through turbulence: modeling with geometrical acoustics and the parabolic approximation.

PubMed

Blanc-Benon, Philippe; Lipkens, Bart; Dallois, Laurent; Hamilton, Mark F; Blackstock, David T

2002-01-01

Sonic boom propagation can be affected by atmospheric turbulence. It has been shown that turbulence affects the perceived loudness of sonic booms, mainly by changing its peak pressure and rise time. The models reported here describe the nonlinear propagation of sound through turbulence. Turbulence is modeled as a set of individual realizations of a random temperature or velocity field. In the first model, linear geometrical acoustics is used to trace rays through each realization of the turbulent field. A nonlinear transport equation is then derived along each eigenray connecting the source and receiver. The transport equation is solved by a Pestorius algorithm. In the second model, the KZK equation is modified to account for the effect of a random temperature field and it is then solved numerically. Results from numerical experiments that simulate the propagation of spark-produced N waves through turbulence are presented. It is observed that turbulence decreases, on average, the peak pressure of the N waves and increases the rise time. Nonlinear distortion is less when turbulence is present than without it. The effects of random vector fields are stronger than those of random temperature fields. The location of the caustics and the deformation of the wave front are also presented. These observations confirm the results from the model experiment in which spark-produced N waves are used to simulate sonic boom propagation through a turbulent atmosphere.

Quantifying the effects of wildfire on changes in soil properties by surface burning of soils from the Boulder Creek Critical Zone Observatory

USGS Publications Warehouse

Wieting, Celeste; Ebel, Brian A.; Singha, Kamini

2017-01-01

Study regionThis study used intact soil cores collected at the Boulder Creek Critical Zone Observatory near Boulder, Colorado, USA to explore fire impacts on soil properties.Study focusThree soil scenarios were considered: unburned control soils, and low- and high-temperature burned soils. We explored simulated fire impacts on field-saturated hydraulic conductivity, dry bulk density, total organic carbon, and infiltration processes during rainfall simulations.New hydrological insights for the regionSoils burned to high temperatures became more homogeneous with depth with respect to total organic carbon and bulk density, suggesting reductions in near-surface porosity. Organic matter decreased significantly with increasing soil temperature. Tension infiltration experiments suggested a decrease in infiltration rates from unburned to low-temperature burned soils, and an increase in infiltration rates in high-temperature burned soils. Non-parametric statistical tests showed that field-saturated hydraulic conductivity similarly decreased from unburned to low-temperature burned soils, and then increased with high-temperature burned soils. We interpret these changes result from the combustion of surface and near-surface organic materials, enabling water to infiltrate directly into soil instead of being stored in the litter and duff layer at the surface. Together, these results indicate that fire-induced changes in soil properties from low temperatures were not as drastic as high temperatures, but that reductions in surface soil water repellency in high temperatures may increase infiltration relative to low temperatures.

Quantum simulation of an ultrathin body field-effect transistor with channel imperfections

NASA Astrophysics Data System (ADS)

Vyurkov, V.; Semenikhin, I.; Filippov, S.; Orlikovsky, A.

2012-04-01

An efficient program for the all-quantum simulation of nanometer field-effect transistors is elaborated. The model is based on the Landauer-Buttiker approach. Our calculation of transmission coefficients employs a transfer-matrix technique involving the arbitrary precision (multiprecision) arithmetic to cope with evanescent modes. Modified in such way, the transfer-matrix technique turns out to be much faster in practical simulations than that of scattering-matrix. Results of the simulation demonstrate the impact of realistic channel imperfections (random charged centers and wall roughness) on transistor characteristics. The Landauer-Buttiker approach is developed to incorporate calculation of the noise at an arbitrary temperature. We also validate the ballistic Landauer-Buttiker approach for the usual situation when heavily doped contacts are indispensably included into the simulation region.

The generalization of upper atmospheric wind and temperature based on the Voigt line shape profile.

PubMed

Zhang, Chunmin; He, Jian

2006-12-25

The principle of probing the upper atmospheric wind field, which is the Voigt profile spectral line shape, is presented for the first time. By the Fourier Transform of Voigt profile, with the Imaging Spectroscope and the Doppler effect of electromagnetic wave, the distribution and calculation formulae of the velocity field, temperature field, and pressure field of the upper atmosphere wind field are given. The probed source is the two major aurora emission lines originated from the metastable O(1S) and O(1D) at 557.7nm and 630.0nm. From computer simulation and error analysis, the Voigt profile, which is the correlation of the Gaussian profile and Lorentzian profile, is closest to the actual airglow emission lines.

Numerical analysis of the effect of non-uniformity of the magnetic field produced by a solenoid on temperature distribution during magnetic hyperthermia

NASA Astrophysics Data System (ADS)

Tang, Yun-dong; Flesch, Rodolfo C. C.; Zhang, Cheng; Jin, Tao

2018-03-01

Magnetic hyperthermia ablates malignant cells by the heat produced by power dissipation of magnetic nanoparticles (MNPs) under an alternating magnetic field. Most of the works in literature consider a uniform magnetic field for solving numerical models to estimate the temperature field during a hyperthermia treatment, however this assumption is generally not true in real circumstances. This paper considers the magnetic field produced by a solenoid and analyzes its effects on the treatment temperature. To that end, a set of partial differential equations is numerically solved for a specific tumor model using the finite element method and the obtained results are analyzed to draw general conclusions. The magnetic field inside the solenoid is obtained by using Maxwell's theory, and the treatment temperature of the tumor model is determined by using Rosensweig's theory and Pennes bio-heat transfer equation. Simulation results demonstrate that the temperature field obtained using a solenoid model is similar to that obtained considering a uniform magnetic field if tumor is centered with respect to solenoid and if the physical characteristics of solenoid are properly defined based on tumor volume. As the distance of tumor from the solenoid center is increased, the effects of non-uniformity of magnetic field become more evident and the adoption of the proposed model is necessary to obtain accurate results.

The influence of tissue layering on microwave thermographic measurements.

PubMed

Hawley, M S; Conway, J; Anderson, A P; Cudd, P A

1988-01-01

Non-invasive thermal imaging and temperature measurement by microwave radiometry has been investigated for medical diagnostic applications and monitoring hyperthermia treatment of cancer, in the context of heterogeneous body structure. The temperature measured by a radiometer is a function of the emission and propagation of microwaves in tissue and the receiving characteristics of the radiometric probe. Propagation of microwaves in lossy media was analysed by a spectral diffraction approach. Extension of this technique via a cascade transmission line model provides an efficient algorithm for predicting the field patterns of aperture antennas contacting multi-layered tissue. A coherent radiative transfer analysis was used to relate the field pattern of a radiating antenna to its receiving characteristics when used as a radiometer probe, leading to a method for simulating radiometric data. Measurements and simulations were used to assess the effect of overlying fat layers upon radiometer response to temperature hot spots in muscle-type media. Results suggest that dielectric layering in tissue greatly influences measured temperatures and should be accounted for in the interpretation of radiometric data.

Three-dimensional simulation of microwave-induced helium plasma under atmospheric pressure

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

Zhao, G. L.; Hua, W., E-mail: huaw@scu.edu.cn; Guo, S. Y.

2016-07-15

A three-dimensional model is presented to investigate helium plasma generated by microwave under atmospheric pressure in this paper, which includes the physical processes of electromagnetic wave propagation, electron and heavy species transport, gas flow, and heat transfer. The model is based on the fluid approximation calculation and local thermodynamic equilibrium assumption. The simulation results demonstrate that the maxima of the electron density and gas temperature are 4.79 × 10{sup 17 }m{sup −3} and 1667 K, respectively, for the operating conditions with microwave power of 500 W, gas flow rate of 20 l/min, and initial gas temperature of 500 K. The electromagnetic field distribution in the plasma sourcemore » is obtained by solving Helmholtz equation. Electric field strength of 2.97 × 10{sup 4 }V/m is obtained. There is a broad variation on microwave power, gas flow rate, and initial gas temperature to obtain deeper information about the changes of the electron density and gas temperature.« less

Phase diagram, correlation gap, and critical properties of the Coulomb glass

NASA Astrophysics Data System (ADS)

Palassini, Matteo; Goethe, Martin

2009-03-01

We investigate the lattice Coulomb glass model in three dimensions via extensive Monte Carlo simulations. 1. No evidence for an equilibrium glass phase is found down to very low temperatures, contrary to mean-field predictions, although the correlation length increases rapidly near T=0. 2. The single-particle density of states near the Coulomb gap satisfies the scaling law g(e,T)=T^λf(e/T) with λ 2.2. 3. A charge-ordered phase exists at low disorder. The phase transition from the fluid to the charge ordered phase is consistent with the Random Field Ising universality class, which shows that the interaction is effectively screened at moderate temperature. Results from nonequilibrium simulations will also be briefly discussed. Reference: M.Goethe and M.Palassini, arXiv:0810.1047

Numerical Temperature And Fluid-Flow Modelling For The Topographic Effects On Hydrothermal Circulation; A case study in Lucy Strike Vent Field

NASA Astrophysics Data System (ADS)

Erçetin, Engin; Düşünür Doǧan, Doǧa

2017-04-01

The aim of the study is to present a numerical temperature and fluid-flow modelling for the topographic effects on hydrothermal circulation. Bathymetry can create a major disturbance on fluid flow pattern. ANSYS Fluent Computational fluid dynamics software is used for simulations. Coupled fluid flow and temperature quations are solved using a 2-Dimensional control volume finite difference approach. Darcy's law is assumed to hold, the fluid is considered to be anormal Boussinesq incompressible fluid neglecting inertial effects. Several topographic models were simulated and both temperature and fluid flow calculations obtained for this study. The preliminary simulations examine the effect of a ingle bathymetric high on a single plume and the secondary study of simulations investigates the effect of multiple bathymetric highs on multiple plume. The simulations were also performed for the slow spreading Lucky Strike segment along the Mid-Atlantic Ridge (MAR), one of the best studied regions along the MAR, where a 3.4 km deep magma chamber extending 6 km along-axis is found at its center. The Lucky Strike segment displays a transitional morphology between that of the FAMOUS - North FAMOUS segments, which are characterized by well-developed axial valleys typical of slow-spreading segments, and that of the Menez Gwen segment, characterized by an axial high at the segment center. Lucky Strike Segment hosts a central volcano and active vent field located at the segment center and thus constitutes an excellent case study to simulate the effects of bathymetry on fluid flow. Results demonstrate that bathymetric relief has an important influence on hydrothermal flow. Subsurface pressure alterations can be formed by bathymetric highs, for this reason, bathymetric relief ought to be considered while simulating hydrothermal circulation systems. Results of this study suggest the dominant effect of bathymetric highs on fluid flow pattern and Darcy velocities will be presented. Keywords: Hydrothermal Circulation, Lucky Strike, Bathymetry - Topography, Vent Location, Fluid Flow, Numerical Modelling

Numerical investigation for formability of aluminum 6016 alloy under non-isothermal warm forming process

NASA Astrophysics Data System (ADS)

Hu, P.; Dai, M. H.; Ying, L.; Shi, D. Y.; Zhao, K. M.; Lu, J. D.

2013-05-01

The warm forming technology of aluminum alloy has attracted attention from worldwide automotive engineering sector in recent years, with which the complex geometry parts can be realized at elevated temperature. A non-isothermal warm forming process for the heat treatable aluminum can quickly carry out its application on traditional production line by adding a furnace to heat up the aluminum alloy sheet. The 6000 aluminum alloy was investigated by numerical simulation and experiment using the Nakajima test model in this paper. A modified Fields-Backofen model was introduced into numerical simulation process to describe the thermo-mechanical flow behavior of a 6000 series aluminum alloy. The experimental data was obtained by conducting thermal-mechanical uniaxial tensile experiment in temperatures range of 25˜400°C to guarantee the numerical simulation more accurate. The numerical simulation was implemented with LS_DYNA software in terms of coupled dynamic explicit method for investigating the effect of initial forming temperature and the Binder Holder Force (BHF), which are critical process parameters in non-isothermal warm forming. The results showed that the optimal initial forming temperature range was 300°C˜350°C. By means of conducting numerical simulation in deep drawing box model, the forming window of BHF and temperature around the optimal initial forming temperature (275°, 300° and 325°) are investigated, which can provide guidance to actual experiment.

Turbulence-enhanced bottom melting of a horizontal glacier--lake interface

NASA Astrophysics Data System (ADS)

Keitzl, T.; Mellado, J. P.; Notz, D.

2014-12-01

We use laboratory tank experiments and direct numerical simulations to investigate the meltrates of a horizontal bottom glacier--lake interface as a function of lake temperature. Existing parameterisations of such meltrates are usually based on empirical fits to field observations. To understand the meltrates of an ice--water interface more systematically we study an idealised system in terms of its temperature-driven buoyancy forcing. In such systems, the meltrate can be expressed analytically for a stable stratification. Here we investigate the unstable case and present how the meltrate depends on the lake temperature when the water beneath the ice is overturning and turbulent. We use laboratory tank experiments and direct numerical simulations to study an idealised ice--water boundary. The laboratory tank experiments provide robust observation-based mean-temperature profiles. The numerical simulations provide the full three-dimensional structure of the turbulent flow down to scales not accessible in the laboratory, with a minimum 0.2mm gridspacing. Our laboratory mean-temperature profiles agree well with the numerical simulations and lend credibility to our numerical setup. The structure of the turbulent flow in our simulations is well described by two self-similar subregions, a diffusion-dominated inner layer close to the ice and a turbulence-dominated outer layer far from the ice. We provide an explicit expression for the parameterisation of the meltrate of a horizontal glacier--lake interface as a function of lake temperature.

A simulation model for predicting the temperature during the application of MR-guided focused ultrasound for stroke treatment using pulsed ultrasound

NASA Astrophysics Data System (ADS)

Hadjisavvas, V.; Damianou, C.

2011-09-01

In this paper a simulation model for predicting the temperature during the application of MR-guided focused ultrasound for stroke treatment using pulsed ultrasound is presented. A single element spherically focused transducer of 5 cm diameter, focusing at 10 cm and operating at either 0.5 MHz or 1 MHz was considered. The power field was estimated using the KZK model. The temperature was estimated using the bioheat equation. The goal was to extract the acoustic parameters (power, pulse duration, duty factor and pulse repetition frequency) that maintain a temperature increase of less than 1 °C during the application of a pulse ultrasound protocol. It was found that the temperature change increases linearly with duty factor. The higher the power, the lower the duty factor needed to keep the temperature change to the safe limit of 1 °C. The higher the frequency the lower the duty factor needed to keep the temperature change to the safe limit of 1 °C. Finally, the deeper the target, the higher the duty factor needed to keep the temperature change to the safe limit of 1 °C. The simulation model was tested in brain tissue during the application of pulse ultrasound and the measured temperature was in close agreement with the simulated temperature. This simulation model is considered to be very useful tool for providing acoustic parameters (frequency, power, duty factor, pulse repetition frequency) during the application of pulsed ultrasound at various depths in tissue so that a safe temperature is maintained during the treatment. This model could be tested soon during stroke clinical trials.

Temperature dependent simulation of diamond depleted Schottky PIN diodes

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

Hathwar, Raghuraj; Dutta, Maitreya; Chowdhury, Srabanti

2016-06-14

Diamond is considered as an ideal material for high field and high power devices due to its high breakdown field, high lightly doped carrier mobility, and high thermal conductivity. The modeling and simulation of diamond devices are therefore important to predict the performances of diamond based devices. In this context, we use Silvaco{sup ®} Atlas, a drift-diffusion based commercial software, to model diamond based power devices. The models used in Atlas were modified to account for both variable range and nearest neighbor hopping transport in the impurity bands associated with high activation energies for boron doped and phosphorus doped diamond.more » The models were fit to experimentally reported resistivity data over a wide range of doping concentrations and temperatures. We compare to recent data on depleted diamond Schottky PIN diodes demonstrating low turn-on voltages and high reverse breakdown voltages, which could be useful for high power rectifying applications due to the low turn-on voltage enabling high forward current densities. Three dimensional simulations of the depleted Schottky PIN diamond devices were performed and the results are verified with experimental data at different operating temperatures.« less

Effect of applied strain on phase separation of Fe-28 at.% Cr alloy: 3D phase-field simulation

NASA Astrophysics Data System (ADS)

Zhu, Lihui; Li, Yongsheng; Liu, Chengwei; Chen, Shi; Shi, Shujing; Jin, Shengshun

2018-04-01

A quantitative simulation of the separation of the α‧ phase in Fe-28 at.% Cr alloy under the effects of applied strain is performed by utilizing a three-dimensional phase-field model. The elongation of the Cr-enriched α‧ phase becomes obvious with the influence of applied uniaxial strain for the phase separation transforms from spinodal decomposition of 700 K to nucleation and growth of 773 K. The applied strain shows a significant influence on the early stage phase separation, and the influence is enlarged with the elevated temperature. The steady-state coarsening with the mechanism of spinodal decomposition is substantially affected by the applied strain for low-temperature aging, while the influence is reduced as the temperature increases and as the phase separation mechanism changes to nucleation and growth. The peak value of particle size distribution decreases, and the PSD for 773 K becomes more widely influenced by the applied strain. The simulation results of separation of the Cr-enriched α‧ phase with the applied strain provide a further understanding of the strain effect on the phase separation of Fe-Cr alloys from the metastable region to spinodal regions.

GPU-Based Simulation of Ultrasound Imaging Artifacts for Cryosurgery Training.

PubMed

Keelan, Robert; Shimada, Kenji; Rabin, Yoed

2017-02-01

This study presents an efficient computational technique for the simulation of ultrasound imaging artifacts associated with cryosurgery based on nonlinear ray tracing. This study is part of an ongoing effort to develop computerized training tools for cryosurgery, with prostate cryosurgery as a development model. The capability of performing virtual cryosurgical procedures on a variety of test cases is essential for effective surgical training. Simulated ultrasound imaging artifacts include reverberation and reflection of the cryoprobes in the unfrozen tissue, reflections caused by the freezing front, shadowing caused by the frozen region, and tissue property changes in repeated freeze-thaw cycles procedures. The simulated artifacts appear to preserve the key features observed in a clinical setting. This study displays an example of how training may benefit from toggling between the undisturbed ultrasound image, the simulated temperature field, the simulated imaging artifacts, and an augmented hybrid presentation of the temperature field superimposed on the ultrasound image. The proposed method is demonstrated on a graphic processing unit at 100 frames per second, on a mid-range personal workstation, at two orders of magnitude faster than a typical cryoprocedure. This performance is based on computation with C++ accelerated massive parallelism and its interoperability with the DirectX-rendering application programming interface.

GPU-Based Simulation of Ultrasound Imaging Artifacts for Cryosurgery Training

PubMed Central

Keelan, Robert; Shimada, Kenji

2016-01-01

This study presents an efficient computational technique for the simulation of ultrasound imaging artifacts associated with cryosurgery based on nonlinear ray tracing. This study is part of an ongoing effort to develop computerized training tools for cryosurgery, with prostate cryosurgery as a development model. The capability of performing virtual cryosurgical procedures on a variety of test cases is essential for effective surgical training. Simulated ultrasound imaging artifacts include reverberation and reflection of the cryoprobes in the unfrozen tissue, reflections caused by the freezing front, shadowing caused by the frozen region, and tissue property changes in repeated freeze–thaw cycles procedures. The simulated artifacts appear to preserve the key features observed in a clinical setting. This study displays an example of how training may benefit from toggling between the undisturbed ultrasound image, the simulated temperature field, the simulated imaging artifacts, and an augmented hybrid presentation of the temperature field superimposed on the ultrasound image. The proposed method is demonstrated on a graphic processing unit at 100 frames per second, on a mid-range personal workstation, at two orders of magnitude faster than a typical cryoprocedure. This performance is based on computation with C++ accelerated massive parallelism and its interoperability with the DirectX-rendering application programming interface. PMID:26818026

Simulation of the real efficiencies of high-efficiency silicon solar cells

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

Sachenko, A. V., E-mail: sach@isp.kiev.ua; Skrebtii, A. I.; Korkishko, R. M.

The temperature dependences of the efficiency η of high-efficiency solar cells based on silicon are calculated. It is shown that the temperature coefficient of decreasing η with increasing temperature decreases as the surface recombination rate decreases. The photoconversion efficiency of high-efficiency silicon-based solar cells operating under natural (field) conditions is simulated. Their operating temperature is determined self-consistently by simultaneously solving the photocurrent, photovoltage, and energy-balance equations. Radiative and convective cooling mechanisms are taken into account. It is shown that the operating temperature of solar cells is higher than the ambient temperature even at very high convection coefficients (~300 W/m{sup 2}more » K). Accordingly, the photoconversion efficiency in this case is lower than when the temperature of the solar cells is equal to the ambient temperature. The calculated dependences for the open-circuit voltage and the photoconversion efficiency of high-quality silicon solar cells under concentrated illumination are discussed taking into account the actual temperature of the solar cells.« less

Technical Note: On the use of nudging for aerosol-climate model intercomparison studies

DOE PAGES

Zhang, K.; Wan, H.; Liu, X.; ...

2014-04-24

Nudging is an assimilation technique widely used in the development and evaluation of climate models. Constraining the simulated wind and temperature fields using global weather reanalysis facilitates more straightforward comparison between simulation and observation, and reduces uncertainties associated with natural variabilities of the large-scale circulation. On the other hand, the forcing introduced by nudging can be strong enough to change the basic characteristics of the model climate. In the paper we show that for the Community Atmosphere Model version 5, due to the systematic temperature bias in the standard model and the sensitivity of simulated ice formation to anthropogenic aerosolmore » concentration, nudging towards reanalysis results in substantial reductions in the ice cloud amount and the impact of anthropogenic aerosols on longwave cloud forcing. In order to reduce discrepancies between the nudged and unconstrained simulations and meanwhile take the advantages of nudging, two alternative experimentation methods are evaluated. The first one constrains only the horizontal winds. The second method nudges both winds and temperature, but replaces the long-term climatology of the reanalysis by that of the model. Results show that both methods lead to substantially improved agreement with the free-running model in terms of the top-of-atmosphere radiation budget and cloud ice amount. The wind-only nudging is more convenient to apply, and provides higher correlations of the wind fields, geopotential height and specific humidity between simulation and reanalysis. This suggests nudging the horizontal winds but not temperature is a good strategy for the investigation of aerosol indirect effects through ice clouds, since it provides well-constrained meteorology without strongly perturbing the model's mean climate.« less

Technical Note: On the use of nudging for aerosol-climate model intercomparison studies

NASA Astrophysics Data System (ADS)

Zhang, K.; Wan, H.; Liu, X.; Ghan, S. J.; Kooperman, G. J.; Ma, P.-L.; Rasch, P. J.

2014-04-01

Nudging is an assimilation technique widely used in the development and evaluation of climate models. Constraining the simulated wind and temperature fields using global weather reanalysis facilitates more straightforward comparison between simulation and observation, and reduces uncertainties associated with natural variabilities of the large-scale circulation. On the other hand, the forcing introduced by nudging can be strong enough to change the basic characteristics of the model climate. In the paper we show that for the Community Atmosphere Model version 5, due to the systematic temperature bias in the standard model and the sensitivity of simulated ice formation to anthropogenic aerosol concentration, nudging towards reanalysis results in substantial reductions in the ice cloud amount and the impact of anthropogenic aerosols on longwave cloud forcing. In order to reduce discrepancies between the nudged and unconstrained simulations and meanwhile take the advantages of nudging, two alternative experimentation methods are evaluated. The first one constrains only the horizontal winds. The second method nudges both winds and temperature, but replaces the long-term climatology of the reanalysis by that of the model. Results show that both methods lead to substantially improved agreement with the free-running model in terms of the top-of-atmosphere radiation budget and cloud ice amount. The wind-only nudging is more convenient to apply, and provides higher correlations of the wind fields, geopotential height and specific humidity between simulation and reanalysis. This suggests nudging the horizontal winds but not temperature is a good strategy for the investigation of aerosol indirect effects through ice clouds, since it provides well-constrained meteorology without strongly perturbing the model's mean climate.

Ion temperature effects on magnetotail Alfvén wave propagation and electron energization: ION TEMPERATURE EFFECTS ON ALFVÉN WAVES

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

Damiano, P. A.; Johnson, J. R.; Chaston, C. C.

2015-07-01

A new 2-D self-consistent hybrid gyrofluid-kinetic electron model in dipolar coordinates is presented and used to simulate dispersive-scale Alfvén wave pulse propagation from the equator to the ionosphere along an L = 10 magnetic field line. The model is an extension of the hybrid MHD-kinetic electron model that incorporates ion Larmor radius corrections via the kinetic fluid model of Cheng and Johnson (1999). It is found that consideration of a realistic ion to electron temperature ratio decreases the propagation time of the wave from the plasma sheet to the ionosphere by several seconds relative to a ρi=0 case (which alsomore » implies shorter timing for a substorm onset signal) and leads to significant dispersion of wave energy perpendicular to the ambient magnetic field. Additionally, ion temperature effects reduce the parallel current and electron energization all along the field line for the same magnitude perpendicular electric field perturbation.« less

Development, Testing, and Application of a Coupled Hydrodynamic Surface-Water/Groundwater Model (FTLOADDS) with Heat and Salinity Transport in the Ten Thousand Islands/Picayune Strand Restoration Project Area, Florida

USGS Publications Warehouse

Swain, Eric D.; Decker, Jeremy D.

2009-01-01

A numerical model application was developed for the coastal area inland of the Ten Thousand Islands (TTI) in southwestern Florida using the Flow and Transport in a Linked Overland/Aquifer Density-Dependent System (FTLOADDS) model. This model couples a two-dimensional dynamic surface-water model with a three-dimensional groundwater model, and has been applied to several locations in southern Florida. The model application solves equations for salt transport in groundwater and surface water, and also simulates surface-water temperature using a newly enhanced heat transport algorithm. One of the purposes of the TTI application is to simulate hydrologic factors that relate to habitat suitability for the West Indian Manatee. Both salinity and temperature have been shown to be important factors for manatee survival. The inland area of the TTI domain is the location of the Picayune Strand Restoration Project, which is designed to restore predevelopment hydrology through the filling and plugging of canals, construction of spreader channels, and the construction of levees and pump stations. The effects of these changes are simulated to determine their effects on manatee habitat. The TTI application utilizes a large amount of input data for both surface-water and groundwater flow simulations. These data include topography, frictional resistance, atmospheric data including rainfall and air temperature, aquifer properties, and boundary conditions for tidal levels, inflows, groundwater heads, and salinities. Calibration was achieved by adjusting the parameters having the largest uncertainty: surface-water inflows, the surface-water transport dispersion coefficient, and evapotranspiration. A sensitivity analysis did not indicate that further parameter changes would yield an overall improvement in simulation results. The agreement between field data from GPS-tracked manatees and TTI application results demonstrates that the model can predict the salinity and temperature fluctuations which affect manatee behavior. Comparison of the existing conditions simulation with the simulation incorporating restoration changes indicated that the restoration would increase the period of inundation for most of the coastal wetlands. Generally, surface-water salinity was lowered by restoration changes in most of the wetlands areas, especially during the early dry season. However, the opposite pattern was observed in the primary canal habitat for manatees, namely, the Port of the Islands. Salinities at this location tended to be moderately elevated during the dry season, and unchanged during the wet season. Water temperatures were in close agreement between the existing conditions and restoration simulations, although minimum temperatures at the Port of the Islands were slightly higher in the restoration simulation as a result of the additional surface-water ponding and warming that occurs in adjacent wetlands. The TTI application output was used to generate salinity and temperature time series for comparison to manatee field tracking data and an individually-based manatee-behavior model. Overlaying field data with salinity and temperature results from the TTI application reflects the effect of warm water availability and the periodic need for low-salinity drinking water on manatee movements. The manatee-behavior model uses the TTI application data at specific model nodes along the main manatee travel corridors to determine manatee migration patterns. The differences between the existing conditions and restoration scenarios can then be compared for manatee refugia. The TTI application can be used to test a variety of hydrologic conditions and their effect on important criteria.

Comparisons between consumption estimates from bioenergetics simulations and field measurements for walleyes from Oneida Lake, New York

USGS Publications Warehouse

Lantry, B.F.; Rudstam, L. G.; Forney, J.L.; VanDeValk, A.J.; Mills, E.L.; Stewart, D.J.; Adams, J.V.

2008-01-01

Daily consumption was estimated from the stomach contents of walleyes Sander vitreus collected weekly from Oneida Lake, New York, during June-October 1975, 1992, 1993, and 1994 for one to four age-groups per year. Field rations were highly variable between weeks, and trends in ration size varied both seasonally and annually. The coefficient of variation for weekly field rations within years and ages ranged from 45% to 97%. Field estimates were compared with simulated consumption from a bioenergetics model. The simulation averages of daily ration deviated from those of the field estimates by -20.1% to +70.3%, with a mean across all simulations of +14.3%. The deviations for each time step were much greater than those for the simulation averages, ranging from -92.8% to +363.6%. A systematic trend in the deviations was observed, the model producing overpredictions at rations less than 3.7% of body weight. Analysis of variance indicated that the deviations were affected by sample year and week but not age. Multiple linear regression using backwards selection procedures and Akaike's information criterion indicated that walleye weight, walleye growth, lake temperature, prey energy density, and the proportion of gizzard shad Dorosoma cepedianum in the diet significantly affected the deviations between simulated and field rations and explained 32% of the variance. ?? Copyright by the American Fisheries Society 2008.

Use of advanced particle methods in modeling space propulsion and its supersonic expansions

NASA Astrophysics Data System (ADS)

Borner, Arnaud

This research discusses the use of advanced kinetic particle methods such as Molecular Dynamics (MD) and direct simulation Monte Carlo (DSMC) to model space propulsion systems such as electrospray thrusters and their supersonic expansions. MD simulations are performed to model an electrospray thruster for the ionic liquid (IL) EMIM--BF4 using coarse-grained (CG) potentials. The model is initially featuring a constant electric field applied in the longitudinal direction. Two coarse-grained potentials are compared, and the effective-force CG (EFCG) potential is found to predict the formation of the Taylor cone, the cone-jet, and other extrusion modes for similar electric fields and mass flow rates observed in experiments of a IL fed capillary-tip-extractor system better than the simple CG potential. Later, one-dimensional and fully transient three-dimensional electric fields, the latter solving Poisson's equation to take into account the electric field due to space charge at each timestep, are computed by coupling the MD model to a Poisson solver. It is found that the inhomogeneous electric field as well as that of the IL space-charge improve agreement between modeling and experiment. The boundary conditions (BCs) are found to have a substantial impact on the potential and electric field, and the tip BC is introduced and compared to the two previous BCs, named plate and needle, showing good improvement by reducing unrealistically high radial electric fields generated in the vicinity of the capillary tip. The influence of the different boundary condition models on charged species currents as a function of the mass flow rate is studied, and it is found that a constant electric field model gives similar agreement to the more rigorous and computationally expensive tip boundary condition at lower flow rates. However, at higher mass flow rates the MD simulations with the constant electric field produces extruded particles with higher Coulomb energy per ion, consistent with droplet formation. Supersonic expansions to vacuum produce clusters of sufficiently small size that properties such as heat capacities and latent heat of evaporation cannot be described by bulk vapor thermodynamic values. Therefore, MD simulations are performed to compute the evaporation rate of small water clusters as a function of temperature and size and the rates are found to agree with Unimolecular Dissociation Theory (UDT) and Classical Nucleation Theory (CNT). The heat capacities and latent heat of vaporization obtained from Monte-Carlo Canonical-Ensemble (MCCE) simulations are used in DSMC simulations of two experiments that measured Rayleigh scattering and terminal dimer mole fraction of supersonic water-jet expansions. Water-cluster temperature and size are found to be influenced by the use of kinetic rather than thermodynamic heat-capacity and latent-heat values as well as the nucleation model. Additionally, MD simulations of water condensation in a one-dimensional free expansion are performed to simulate the conditions in the core of a plume. We find that the internal structure of the clusters formed depends on the stagnation temperature conditions. Clusters of sizes 21 and 324 are studied in detail, and their radial distribution functions (RDF) are computed and compared to reported RDFs for solid amorphous ice clusters. Dielectric properties of liquid water and water clusters are investigated, and the static dielectric constant, dipole moment autocorrelation function and relative permittivity are computed by means of MD simulations.

Analysis of Temperature and Humidity Field in a New Bulk Tobacco Curing Barn Based on CFD.

PubMed

Bai, Zhipeng; Guo, Duoduo; Li, Shoucang; Hu, Yaohua

2017-01-31

A new structure bulk tobacco curing barn was presented. To study the temperature and humidity field in the new structure tobacco curing barn, a 3D transient computational fluid dynamics (CFD) model was developed using porous medium, species transport, κ-ε turbulence and discrete phase models. The CFD results demonstrated that (1) the temperature and relative humidity predictions were validated by the experimental results, and comparison of simulation results with experimental data showed a fairly close agreement; (2) the temperature of the bottom and inlet area was higher than the top and outlet area, and water vapor concentrated on the top and outlet area in the barn; (3) tobacco loading density and thickness of tobacco leaves had an explicit effect on the temperature distributions in the barn.

Electron heating in quasi-perpendicular shocks - A Monte Carlo simulation

NASA Technical Reports Server (NTRS)

Veltri, Pierluigi; Mangeney, Andre; Scudder, Jack D.

1990-01-01

To study the problem of electron heating in quasi-perpendicular shocks, under the combined effects of 'reversible' motion, in the shock electric potential and magnetic field, and wave-particle interactions a diffusion equation was derived, in the drift (adiabatic) approximation and it was solved by using a Monte Carlo method. The results show that most of the observations can be explained within this framework. The simulation has also definitively shown that the electron parallel temperature is determined by the dc electromagnetic field and not by any wave particle induced heating. Wave-particle interactions are effective in smoothing out the large gradients in phase space produced by the 'reversible' motion of the electrons, thus producing a 'cooling' of the electrons. Some constraints on the wave-particle interaction process may be obtained from a detailed comparison between the simulation and observations. In particular, it appears that the adiabatic approximation must be violated in order to explain the observed evolution of the perpendicular temperature.

Pore and grain boundary migration under a temperature gradient: A phase-field model study

DOE PAGES

Biner, S. B.

2016-03-16

In this study, the collective migration behavior of pores and grain boundaries under a temperature gradient is studied for simple single crystal, bi-crystal and polycrystal configurations with a phase-field model formulism. For simulation of the microstructure of solids, composed of pores and grain boundaries, the results indicate that not only the volume fraction of pores, but also its spatial partitioning between the grain boundary junctions and the grain boundary segments appears to be important. In addition to various physical properties, the evolution kinetics, under given temperature gradients, will be strongly influenced with the initial morphology of a poly-crystalline microstructure.

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

NASA Astrophysics Data System (ADS)

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

2013-01-01

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

CFD Simulation of the Space Shuttle Launch Vehicle with Booster Separation Motor and Reaction Control System Plumes

NASA Technical Reports Server (NTRS)

Gea, L. M.; Vicker, D.

2006-01-01

The primary objective of this paper is to demonstrate the capability of computational fluid dynamics (CFD) to simulate a very complicated flow field encountered during the space shuttle ascent. The flow field features nozzle plumes from booster separation motor (BSM) and reaction control system (RCS) jets with a supersonic incoming cross flow at speed of Mach 4. The overset Navier-Stokes code OVERFLOW, was used to simulate the flow field surrounding the entire space shuttle launch vehicle (SSLV) with high geometric fidelity. The variable gamma option was chosen due to the high temperature nature of nozzle flows and different plume species. CFD predicted Mach contours are in good agreement with the schlieren photos from wind tunnel test. Flow fields are discussed in detail and the results are used to support the debris analysis for the space shuttle Return To Flight (RTF) task.

CFD Simulation of the Space Shuttle Launch Vehicle with Booster Separation Motor and Reaction Control Plumes

NASA Technical Reports Server (NTRS)

Gea, L. M.; Vicker, D.

2006-01-01

The primary objective of this paper is to demonstrate the capability of computational fluid dynamics (CFD) to simulate a very complicated flow field encountered during the space shuttle ascent. The flow field features nozzle plumes from booster separation motor (BSM) and reaction control system (RCS) jets with a supersonic incoming cross flow at speed of Mach 4. The overset Navier-Stokes code OVERFLOW, was used to simulate the flow field surrounding the entire space shuttle launch vehicle (SSLV) with high geometric fidelity. The variable gamma option was chosen due to the high temperature nature of nozzle flows and different plume species. CFD predicted Mach contours are in good agreement with the schlieren photos from wind tunnel test. Flow fields are discussed in detail and the results are used to support the debris analysis for the space shuttle Return To Flight (RTF) task.

Vlasov Simulation of Mixing in Antihydrogen Formation

NASA Astrophysics Data System (ADS)

So, Chukman; Fajans, Joel; Friedland, Lazar; Wurtele, Jonathan; Alpha Collaboration

2011-10-01

In the ALPHA apparatus, low temperature antiprotons (p) and positrons (e+) are prepared adjacent to each other in a nested Penning trap. To create trappable antihydrogen (H), the two species must be mixed such that some resultant H atoms have sub-Kelvin kinetic energy. A new simulation has been developed to study and optimize the autoresonant mixing, in ALPHA. The p dynamics are governed by their own self- field, the e+ plasma field, and the external fields. The e+ 's are handled quasi-statically with a Poisson-Boltzmann solver. p 's are handled by multiple time dependent 1D Vlasov-Poisson solvers, each representing a radial slice of the plasma. The 1D simulatiuons couple through the 2D Poisson equation. We neglect radial transport due to the strong solenoidal field. The advantages and disadvantages of different descretization schemes, comparisons of simulation with experiment, and techniques for optimizing mixing, will be presented.

Field Measurements and Numerical Simulations of Temperature and Moisture in Highway Engineering Using a Frequency Domain Reflectometry Sensor

PubMed Central

Yao, Yong-Sheng; Zheng, Jian-Long; Chen, Zeng-Shun; Zhang, Jun-Hui; Li, Yong

2016-01-01

This paper presents a systematic pioneering study on the use of agricultural-purpose frequency domain reflectometry (FDR) sensors to monitor temperature and moisture of a subgrade in highway extension and reconstruction engineering. The principle of agricultural-purpose FDR sensors and the process for embedding this kind of sensors for subgrade engineering purposes are introduced. Based on field measured weather data, a numerical analysis model for temperature and moisture content in the subgrade’s soil is built. Comparisons of the temperature and moisture data obtained from numerical simulation and FDR-based measurements are conducted. The results show that: (1) the embedding method and process, data acquisition, and remote transmission presented are reasonable; (2) the temperature and moisture changes are coordinated with the atmospheric environment and they are also in close agreement with numerical calculations; (3) the change laws of both are consistent at positions where the subgrade is compacted uniformly. These results suggest that the data measured by the agricultural-purpose FDR sensors are reliable. The findings of this paper enable a new and effective real-time monitoring method for a subgrade’s temperature and moisture changes, and thus broaden the application of agricultural-purpose FDR sensors. PMID:27294935

Consideration of the effects of intense tissue heating on the RF electromagnetic fields during MRI: simulations for MRgFUS in the hip

NASA Astrophysics Data System (ADS)

Xuegang Xin, Sherman; Gu, Shiyong; Carluccio, Giuseppe; Collins, Christopher M.

2015-01-01

Due to the strong dependence of tissue electrical properties on temperature, it is important to consider the potential effects of intense tissue heating on the RF electromagnetic fields during MRI, as can occur in MR-guided focused ultrasound surgery. In principle, changes of the RF electromagnetic fields could affect both efficacy of RF pulses, and the MRI-induced RF heating (SAR) pattern. In this study, the equilibrium temperature distribution in a whole-body model with 2 mm resolution before and during intense tissue heating up to 60 °C at the target region was calculated. Temperature-dependent electric properties of tissues were assigned to the model to establish a temperature-dependent electromagnetic whole-body model in a 3T MRI system. The results showed maximum changes in conductivity, permittivity, ≤ft|\\mathbf{B}1+\\right|, and SAR of about 25%, 6%, 2%, and 20%, respectively. Though the B1 field and SAR distributions are both temperature-dependent, the potential harm to patients due to higher SARs is expected to be minimal and the effects on the B1 field distribution should have minimal effect on images from basic MRI sequences.

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

USGS Publications Warehouse

Miller, R.T.

1986-01-01

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

Hybrid fluid-particle simulation of whistler-mode waves in a compressed dipole magnetic field: Implications for dayside high-latitude chorus

NASA Astrophysics Data System (ADS)

da Silva, C. L.; Wu, S.; Denton, R. E.; Hudson, M. K.; Millan, R. M.

2017-01-01

In this work we present a methodology for simulating whistler-mode waves self-consistently generated by electron temperature anisotropy in the inner magnetosphere. We present simulation results using a hybrid fluid/particle-in-cell code that treats the hot, anisotropic (i.e., ring current) electron population as particles and the background (i.e., the cold and inertialess) electrons as fluid. Since the hot electrons are only a small fraction of the total population, warm (and isotropic) particle electrons are added to the simulation to increase the fraction of particles with mass, providing a more accurate characterization of the wave dispersion relation. Ions are treated as a fixed background of positive charge density. The plasma transport equations are coupled to Maxwell's equations and solved in a meridional plane (a 2-D simulation with 3-D fields). We use a curvilinear coordinate system that follows the topological curvature of Earth's geomagnetic field lines, based on an analytic expression for a compressed dipole magnetic field. Hence, we are able to simulate whistler wave generation at dawn (pure dipole field lines) and dayside (compressed dipole) by simply adjusting one scalar quantity. We demonstrate how, on the dayside, whistler-mode waves can be locally generated at a range of high latitudes, within pockets of minimum magnetic field, and propagate equatorward. The obtained dayside waves (in a compressed dipole field) have similar amplitude and frequency content to their dawn sector counterparts (in a pure dipole field) but tend to propagate more field aligned.

PDF approach for turbulent scalar field: Some recent developments

NASA Technical Reports Server (NTRS)

Gao, Feng

1993-01-01

The probability density function (PDF) method has been proven a very useful approach in turbulence research. It has been particularly effective in simulating turbulent reacting flows and in studying some detailed statistical properties generated by a turbulent field There are, however, some important questions that have yet to be answered in PDF studies. Our efforts in the past year have been focused on two areas. First, a simple mixing model suitable for Monte Carlo simulations has been developed based on the mapping closure. Secondly, the mechanism of turbulent transport has been analyzed in order to understand the recently observed abnormal PDF's of turbulent temperature fields generated by linear heat sources.

Geometrical Vortex Lattice Pinning and Melting in YBaCuO Submicron Bridges.

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

Papari, G. P.; Glatz, A.; Carillo, F.

Since the discovery of high-temperature superconductors (HTSs), most efforts of researchers have been focused on the fabrication of superconducting devices capable of immobilizing vortices, hence of operating at enhanced temperatures and magnetic fields. Recent findings that geometric restrictions may induce self-arresting hypervortices recovering the dissipation-free state at high fields and temperatures made superconducting strips a mainstream of superconductivity studies. Here in this paper we report on the geometrical melting of the vortex lattice in a wide YBCO submicron bridge preceded by magnetoresistance (MR) oscillations fingerprinting the underlying regular vortex structure. Combined magnetoresistance measurements and numerical simulations unambiguously relate the resistancemore » oscillations to the penetration of vortex rows with intermediate geometrical pinning and uncover the details of geometrical melting. Our findings offer a reliable and reproducible pathway for controlling vortices in geometrically restricted nanodevices and introduce a novel technique of geometrical spectroscopy, inferring detailed information of the structure of the vortex system through a combined use of MR curves and large-scale simulations.« less

Geometrical Vortex Lattice Pinning and Melting in YBaCuO Submicron Bridges.

DOE PAGES

Papari, G. P.; Glatz, A.; Carillo, F.; ...

2016-12-23

Since the discovery of high-temperature superconductors (HTSs), most efforts of researchers have been focused on the fabrication of superconducting devices capable of immobilizing vortices, hence of operating at enhanced temperatures and magnetic fields. Recent findings that geometric restrictions may induce self-arresting hypervortices recovering the dissipation-free state at high fields and temperatures made superconducting strips a mainstream of superconductivity studies. Here in this paper we report on the geometrical melting of the vortex lattice in a wide YBCO submicron bridge preceded by magnetoresistance (MR) oscillations fingerprinting the underlying regular vortex structure. Combined magnetoresistance measurements and numerical simulations unambiguously relate the resistancemore » oscillations to the penetration of vortex rows with intermediate geometrical pinning and uncover the details of geometrical melting. Our findings offer a reliable and reproducible pathway for controlling vortices in geometrically restricted nanodevices and introduce a novel technique of geometrical spectroscopy, inferring detailed information of the structure of the vortex system through a combined use of MR curves and large-scale simulations.« less

Identification and Quantitation of the Microbiological Flora of the Food Packet, Long Range Patrol under Simulated Field Conditions,

DTIC Science & Technology

MILITARY RATIONS, *MICROORGANISMS), (*FOOD, *BIOLOGICAL CONTAMINATION), DETECTION, IDENTIFICATION, STORAGE, PROCESSING, FREEZE DRYING, MICROCOCCUS , STREPTOCOCCUS, YEASTS, MOLDS(ORGANISMS), TEMPERATURE, HIGH ALTITUDE

Microwave soil moisture measurements and analysis

NASA Technical Reports Server (NTRS)

Newton, R. W.; Howell, T. A.; Nieber, J. L.; Vanbavel, C. H. M. (Principal Investigator)

1980-01-01

An effort to develop a model that simulates the distribution of water content and of temperature in bare soil is documented. The field experimental set up designed to acquire the data to test this model is described. The microwave signature acquisition system (MSAS) field measurements acquired in Colby, Kansas during the summer of 1978 are pesented.

Using canopy resistance for infrared heater control when warming open-field plots

USDA-ARS?s Scientific Manuscript database

Several research groups are using or planning to use arrays of infrared heaters to simulate global warming in open-field plots with a control strategy that involves maintaining a constant rise in canopy temperatures of the heated plots above those of un-heated Reference plots. . However, if the warm...

[China's rice field greenhouse gas emission under climate change based on DNDC model simulation].

PubMed

Tian, Zhan; Niu, Yi-long; Sun, Lai-xiang; Li, Chang-sheng; Liu, Chun-jiang; Fan, Dong-li

2015-03-01

In contrast to a large body of literature assessing the impact of agriculture greenhouse gas (GHG) emissions on climate change, there is a lack of research examining the impact of climate change on agricultural GHG emissions. This study employed the DNDC v9.5, a state-of-art biogeochemical model, to simulate greenhouse gas emissions in China' s rice-growing fields during 1971-2010. The results showed that owing to temperature rising (on average 0.49 °C higher in the second 20 years than in the first 20 year) and precipitation increase (11 mm more in the second 20 years than in the first 20 years) during the rice growing season, CH4 and N2O emissions in paddy field increased by 0.25 kg C . hm-2 and 0.25 kg N . hm-2, respectively. The rising temperature accelerated CH4 emission and N2O emission increased with precipitation. These results indicated that climate change exerted impact on the mechanism of GHG emissions in paddy field.

Temperature of maximum density and excess thermodynamics of aqueous mixtures of methanol

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

González-Salgado, D.; Zemánková, K.; Noya, E. G.

In this work, we present a study of representative excess thermodynamic properties of aqueous mixtures of methanol over the complete concentration range, based on extensive computer simulation calculations. In addition to test various existing united atom model potentials, we have developed a new force-field which accurately reproduces the excess thermodynamics of this system. Moreover, we have paid particular attention to the behavior of the temperature of maximum density (TMD) in dilute methanol mixtures. The presence of a temperature of maximum density is one of the essential anomalies exhibited by water. This anomalous behavior is modified in a non-monotonous fashion bymore » the presence of fully miscible solutes that partly disrupt the hydrogen bond network of water, such as methanol (and other short chain alcohols). In order to obtain a better insight into the phenomenology of the changes in the TMD of water induced by small amounts of methanol, we have performed a new series of experimental measurements and computer simulations using various force fields. We observe that none of the force-fields tested capture the non-monotonous concentration dependence of the TMD for highly diluted methanol solutions.« less

Effect of temperature and gap opening rate on the resiliency of candidate solid rocket booster O-ring materials

NASA Technical Reports Server (NTRS)

Lach, Cynthia L.

1992-01-01

In the redesign of the Space Shuttle solid rocket motor following the Challenger accident, the field and nozzle-to-case joints were designed to minimize gap opening caused by internal motor pressurization during ignition. The O-ring seals and glands for these joints were designed both to accommodate structural deflections and to promote pressure assisted sealing. The resiliency behavior of several candidate O-ring materials was evaluated for the effects of temperature and gap opening rates. The performance of three of the elastomeric materials was tested under the specific redesign gap opening requirement. Dynamic flexure conditions unique to launch produce low frequency vibrations in the gap opening. The effect of these vibrations on the ability of the O-ring to maintain contact with the sealing surface was addressed. The resiliency of the O-ring materials was found to be extremely sensitive to variations in temperature and gap opening rate. The top three elastomeric materials tracked the simulated solid rocket booster (SRB) field joint deflection at 75 and 120 F. The external tank/SRB attach strut load vibrations had a negligible effect on the ability of the O-ring to track the simulated SRB field joint deflection.

Thermodynamic and mechanical properties of epoxy resin DGEBF crosslinked with DETDA by molecular dynamics.

PubMed

Tack, Jeremy L; Ford, David M

2008-06-01

Fully atomistic molecular dynamics (MD) simulations were used to predict the properties of diglycidyl ether of bisphenol F (DGEBF) crosslinked with curing agent diethyltoluenediamine (DETDA). This polymer is a commercially important epoxy resin and a candidate for applications in nanocomposites. The calculated properties were density and bulk modulus (at near-ambient pressure and temperature) and glass transition temperature (at near-ambient pressure). The molecular topology, degree of curing, and MD force-field were investigated as variables. The models were created by densely packing pre-constructed oligomers of different composition and connectivity into a periodic simulation box. For high degrees of curing (greater than 90%), the density was found to be insensitive to the molecular topology and precise value of degree of curing. Of the two force-fields that were investigated, cff91 and COMPASS, the latter clearly gave more accurate values for the density as compared to experiment. In fact, the density predicted by COMPASS was within 6% of reported experimental values for the highly crosslinked polymer. The predictions of both force-fields for glass transition temperature were within the range of reported experimental values, with the predictions of cff91 being more consistent with a highly cured resin.

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.

Particle kinetic simulation of high altitude hypervelocity flight

NASA Technical Reports Server (NTRS)

Boyd, Iain; Haas, Brian L.

1994-01-01

Rarefied flows about hypersonic vehicles entering the upper atmosphere or through nozzles expanding into a near vacuum may only be simulated accurately with a direct simulation Monte Carlo (DSMC) method. Under this grant, researchers enhanced the models employed in the DSMC method and performed simulations in support of existing NASA projects or missions. DSMC models were developed and validated for simulating rotational, vibrational, and chemical relaxation in high-temperature flows, including effects of quantized anharmonic oscillators and temperature-dependent relaxation rates. State-of-the-art advancements were made in simulating coupled vibration-dissociation recombination for post-shock flows. Models were also developed to compute vehicle surface temperatures directly in the code rather than requiring isothermal estimates. These codes were instrumental in simulating aerobraking of NASA's Magellan spacecraft during orbital maneuvers to assess heat transfer and aerodynamic properties of the delicate satellite. NASA also depended upon simulations of entry of the Galileo probe into the atmosphere of Jupiter to provide drag and flow field information essential for accurate interpretation of an onboard experiment. Finally, the codes have been used extensively to simulate expanding nozzle flows in low-power thrusters in support of propulsion activities at NASA-Lewis. Detailed comparisons between continuum calculations and DSMC results helped to quantify the limitations of continuum CFD codes in rarefied applications.

A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide).

PubMed

Abbott, Lauren J; Stevens, Mark J

2015-12-28

A coarse-grained (CG) model is developed for the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM), using a hybrid top-down and bottom-up approach. Nonbonded parameters are fit to experimental thermodynamic data following the procedures of the SDK (Shinoda, DeVane, and Klein) CG force field, with minor adjustments to provide better agreement with radial distribution functions from atomistic simulations. Bonded parameters are fit to probability distributions from atomistic simulations using multi-centered Gaussian-based potentials. The temperature-dependent potentials derived for the PNIPAM CG model in this work properly capture the coil-globule transition of PNIPAM single chains and yield a chain-length dependence consistent with atomistic simulations.

Computer simulation of the coffee leaf miner using sexual Penna aging model

NASA Astrophysics Data System (ADS)

de Oliveira, A. C. S.; Martins, S. G. F.; Zacarias, M. S.

2008-01-01

Forecast models based on climatic conditions are of great interest in Integrated Pest Management (IPM) programs. The success of these models depends, among other factors, on the knowledge of the temperature effect on the pests’ population dynamics. In this direction, a computer simulation was made for the population dynamics of the coffee leaf miner, L. coffeella, at different temperatures, considering experimental data relative to the pest. The age structure was inserted into the dynamics through sexual Penna Model. The results obtained, such as life expectancy, growth rate and annual generations’ number, in agreement to those in laboratory and field conditions, show that the simulation can be used as a forecast model for controlling L. coffeella.

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).

Zero-field-cooled/field-cooled magnetization study of Dendrimer model

NASA Astrophysics Data System (ADS)

Arejdal, M.; Bahmad, L.; Benyoussef, A.

2017-01-01

Being motivated by Dendrimer model with mixed spins σ=3 and S=7/2, we investigated the magnetic nanoparticle system in this study. We analyzed and discussed the ground-state phase diagrams and the stable phases. Then, we elaborated and explained the magnetic properties of the system by using Monte Carlo Simulations (MCS) in the framework of the Ising model. In this way, we determined the blocking temperature, which is deduced through studying the partial-total magnetization and susceptibility as a function of the temperature, and we established the effects of both the exchange coupling interaction and the crystal field on the hysteresis loop.

Evaluation of urban surface parameterizations in the WRF model using measurements during the Texas Air Quality Study 2006 field campaign

NASA Astrophysics Data System (ADS)

Lee, S.-H.; Kim, S.-W.; Angevine, W. M.; Bianco, L.; McKeen, S. A.; Senff, C. J.; Trainer, M.; Tucker, S. C.; Zamora, R. J.

2011-03-01

The performance of different urban surface parameterizations in the WRF (Weather Research and Forecasting) in simulating urban boundary layer (UBL) was investigated using extensive measurements during the Texas Air Quality Study 2006 field campaign. The extensive field measurements collected on surface (meteorological, wind profiler, energy balance flux) sites, a research aircraft, and a research vessel characterized 3-dimensional atmospheric boundary layer structures over the Houston-Galveston Bay area, providing a unique opportunity for the evaluation of the physical parameterizations. The model simulations were performed over the Houston metropolitan area for a summertime period (12-17 August) using a bulk urban parameterization in the Noah land surface model (original LSM), a modified LSM, and a single-layer urban canopy model (UCM). The UCM simulation compared quite well with the observations over the Houston urban areas, reducing the systematic model biases in the original LSM simulation by 1-2 °C in near-surface air temperature and by 200-400 m in UBL height, on average. A more realistic turbulent (sensible and latent heat) energy partitioning contributed to the improvements in the UCM simulation. The original LSM significantly overestimated the sensible heat flux (~200 W m-2) over the urban areas, resulting in warmer and higher UBL. The modified LSM slightly reduced warm and high biases in near-surface air temperature (0.5-1 °C) and UBL height (~100 m) as a result of the effects of urban vegetation. The relatively strong thermal contrast between the Houston area and the water bodies (Galveston Bay and the Gulf of Mexico) in the LSM simulations enhanced the sea/bay breezes, but the model performance in predicting local wind fields was similar among the simulations in terms of statistical evaluations. These results suggest that a proper surface representation (e.g. urban vegetation, surface morphology) and explicit parameterizations of urban physical processes are required for accurate urban atmospheric numerical modeling.

Flat-roof phenomenon of dynamic equilibrium phase in the negative bias temperature instability effect on a power MOSFET

NASA Astrophysics Data System (ADS)

Zhang, Yue; Zhuo, Qing-Qing; Liu, Hong-Xia; Ma, Xiao-Hua; Hao, Yue

2014-05-01

The effect of the static negative bias temperature (NBT) stress on a p-channel power metal—oxide—semiconductor field-effect transistor (MOSFET) is investigated by experiment and simulation. The time evolution of the negative bias temperature instability (NBTI) degradation has the trend predicted by the reaction—diffusion (R—D) model but with an exaggerated time scale. The phenomena of the flat-roof section are observed under various stress conditions, which can be considered as the dynamic equilibrium phase in the R—D process. Based on the simulated results, the variation of the flat-roof section with the stress condition can be explained.

Temperature dependence of the Henry's law constant for hydrogen storage in NaA zeolites: a Monte Carlo simulation study.

PubMed

Sousa, João Miguel; Ferreira, António Luís; Fagg, Duncan Paul; Titus, Elby; Krishna, Rahul; Gracio, José

2012-08-01

Grand canonical Monte Carlo simulations of hydrogen adsorption in zeolites NaA were carried out for a wide range of temperatures between 77 and 300 K and pressures up to 180 MPa. A potential model was used that comprised of three main interactions: van der Waals, coulombic and induced polarization by the electric field in the system. The computed average number of adsorbed molecules per unit cell was compared with available results and found to be in agreement in the regime of moderate to high pressures. The particle insertion method was used to calculate the Henry coefficient for this model and its dependence on temperature.

Application of the Ecosystem Assessment Model to Lake Norman: A cooling lake in North Carolina: Final report

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

Porcella, D.B.; Bowie, G.L.; Campbell, C.L.

The Ecosystem Assessment Model (EAM) of the Cooling Lake Assessment Methodology was applied to the extensive ecological field data collected at Lake Norman, North Carolina by Duke Power Company to evaluate its capability to simulate lake ecosystems and the ecological effects of steam electric power plants. The EAM provided simulations over a five-year verification period that behaved as expected based on a one-year calibration. Major state variables of interest to utilities and regulatory agencies are: temperature, dissolved oxygen, and fish community variables. In qualitative terms, temperature simulation was very accurate, dissolved oxygen simulation was accurate, and fish prediction was reasonablymore » accurate. The need for more accurate fisheries data collected at monthly intervals and non-destructive sampling techniques was identified.« less

Magnetic field extrapolation with MHD relaxation using AWSoM

NASA Astrophysics Data System (ADS)

Shi, T.; Manchester, W.; Landi, E.

2017-12-01

Coronal mass ejections are known to be the major source of disturbances in the solar wind capable of affecting geomagnetic environments. In order for accurate predictions of such space weather events, a data-driven simulation is needed. The first step towards such a simulation is to extrapolate the magnetic field from the observed field that is only at the solar surface. Here we present results of a new code of magnetic field extrapolation with direct magnetohydrodynamics (MHD) relaxation using the Alfvén Wave Solar Model (AWSoM) in the Space Weather Modeling Framework. The obtained field is self-consistent with our model and can be used later in time-dependent simulations without modifications of the equations. We use the Low and Lou analytical solution to test our results and they reach a good agreement. We also extrapolate the magnetic field from the observed data. We then specify the active region corona field with this extrapolation result in the AWSoM model and self-consistently calculate the temperature of the active region loops with Alfvén wave dissipation. Multi-wavelength images are also synthesized.

Effect of atomic layer deposition temperature on the performance of top-down ZnO nanowire transistors

PubMed Central

2014-01-01

This paper studies the effect of atomic layer deposition (ALD) temperature on the performance of top-down ZnO nanowire transistors. Electrical characteristics are presented for 10-μm ZnO nanowire field-effect transistors (FETs) and for deposition temperatures in the range 120°C to 210°C. Well-behaved transistor output characteristics are obtained for all deposition temperatures. It is shown that the maximum field-effect mobility occurs for an ALD temperature of 190°C. This maximum field-effect mobility corresponds with a maximum Hall effect bulk mobility and with a ZnO film that is stoichiometric. The optimized transistors have a field-effect mobility of 10 cm2/V.s, which is approximately ten times higher than can typically be achieved in thin-film amorphous silicon transistors. Furthermore, simulations indicate that the drain current and field-effect mobility extraction are limited by the contact resistance. When the effects of contact resistance are de-embedded, a field-effect mobility of 129 cm2/V.s is obtained. This excellent result demonstrates the promise of top-down ZnO nanowire technology for a wide variety of applications such as high-performance thin-film electronics, flexible electronics, and biosensing. PMID:25276107

Effect of strain field on displacement cascade in tungsten studied by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Wang, D.; Gao, N.; Wang, Z. G.; Gao, X.; He, W. H.; Cui, M. H.; Pang, L. L.; Zhu, Y. B.

2016-10-01

Using atomistic methods, the coupling effect of strain field and displacement cascade in body-centered cubic (BCC) tungsten is directly simulated by molecular dynamics (MD) simulations at different temperatures. The values of the hydrostatic and uniaxial (parallel or perpendicular to primary knock-on atom (PKA) direction) strains are from -2% to 2% and the temperature is from 100 to 1000 K. Because of the annealing effect, the influence of strain on radiation damage at low temperature has been proved to be more significant than that at high temperature. When the cascade proceeds under the hydrostatic strain, the Frenkel Pair (FP) production, the fraction of defect in cluster and the average size of the defect cluster, all increase at tensile state and decrease at compressive state. When the cascade is under uniaxial strain, the effect of strain parallel to PKA direction is less than the effect of hydrostatic strain, while the effect of strain perpendicular to PKA direction can be negligible. Under the uniaxial strain along <1 1 1> direction, the SIA and SIA cluster is observed to orientate along the strain direction at tensile state and the uniaxial compressive strain with direction perpendicular to <1 1 1> has led to the similar preferred nucleation. All these results indicate that under irradiation, the tensile state should be avoided for materials used in nuclear power plants.

Built-in-polarization field effect on lattice thermal conductivity of AlxGa1-xN/GaN heterostructure

NASA Astrophysics Data System (ADS)

Pansari, Anju; Gedam, Vikas; Kumar Sahoo, Bijaya

2015-12-01

The built-in-polarization field at the interface of AlxGa1-xN/GaN heterostructure enhances elastic constant, phonon velocity, Debye temperature and their bowing constants of barrier material AlxGa1-xN. The combined phonon relaxation time of acoustics phonons has been computed for with and without built-in-polarization field at room temperature for different aluminum (Al) content (x). Our result shows that the built-in-polarization field suppresses the scattering mechanisms and enhances the combined relaxation time. The thermal conductivity of AlxGa1-xN has been estimated as a function of temperature for x=0, 0.1, 0.5 and 1 for with and without polarization field. Minimum thermal conductivity has been observed for x=0.1 and 0.5. Analysis shows that up to a certain temperature (different for different x) the polarization field acts as negative effect and reduces the thermal conductivity and after this temperature thermal conductivity is significantly contributed by polarization field. This signifies pyroelectric character of AlxGa1-xN. The pyroelectric transition temperature of AlxGa1-xN alloy has been predicted for different x. Our study reports that room temperature thermal conductivity of AlxGa1-xN/GaN heterostructure is enhanced by built-in-polarization field. The temperature dependence of thermal conductivity for x=0.1 and 0.5 are in line with prior experimental studies. The method we have developed can be used for the simulation of heat transport in nitride devices to minimize the self heating processes and in polarization engineering strategies to optimize the thermoelectric performance of AlxGa1-xN/GaN heterostructures.

Effects of electric field on micro-scale flame properties of biobutanol fuel

PubMed Central

Xu, Tao; Chen, Qinglin; Zhang, Bingjian; Lu, Shushen; Mo, Dongchuan; Zhang, Zhengguo; Gao, Xuenong

2016-01-01

With the increasing need of smaller power sources for satellites, energy systems and engine equipment, microcombustion pose a potential as alternative power source to conventional batteries. As the substitute fuel source for gasoline, biobutanol shows more promising characteristics than ethanol. In this study, the diffusion microflame of liquid biobutanol under electric field have been examined through in-lab experiment and numerical simulation. It is found that traditional gas jet diffusion flame theory shows significant inconsistency with the experimental results of micro scale flame in electric field. The results suggest that with the increase of electric field intensity, the quenching flow rate decrease first and increase after it reach its minimum, while the flame height and highest flame temperature increase first and drop after its peak value. In addition, it was also observed that the flame height and highest temperature for smaller tube can reach its maximum faster. Therefore, the interaction between microscale effect and electric field plays a significant role on understanding the microcombustion of liquid fuel. Therefore, FLUENT simulation was adopted to understand and measure the impacts of microflame characteristic parameters. The final numerical results are consistent with the experimental data and show a high reliability. PMID:27609428

Magnitude of parallel pseudo potential in a magnetosonic shock wave

NASA Astrophysics Data System (ADS)

Ohsawa, Yukiharu

2018-05-01

The parallel pseudo potential F, which is the integral of the parallel electric field along the magnetic field, in a large-amplitude magnetosonic pulse (shock wave) is theoretically studied. Particle simulations revealed in the late 1990's that the product of the elementary charge and F can be much larger than the electron temperature in shock waves, i.e., the parallel electric field can be quite strong. However, no theory was presented for this unexpected result. This paper first revisits the small-amplitude theory for F and then investigates the parallel pseudo potential F in large-amplitude pulses based on the two-fluid model with finite thermal pressures. It is found that the magnitude of F in a shock wave is determined by the wave amplitude, the electron temperature, and the kinetic energy of an ion moving with the Alfvén speed. This theoretically obtained expression for F is nearly identical to the empirical relation for F discovered in the previous simulation work.

A current-driven resistive instability and its nonlinear effects in simulations of coaxial helicity injection in a tokamak

DOE PAGES

Hooper, E. B.; Sovinec, C. R.

2016-10-06

An instability observed in whole-device, resistive magnetohydrodynamic simulations of the driven phase of coaxial helicity injection in the National Spherical Torus eXperiment is identified as a current-driven resistive mode in an unusual geometry that transiently generates a current sheet. The mode consists of plasma flow velocity and magnetic field eddies in a tube aligned with the magnetic field at the surface of the injected magnetic flux. At low plasma temperatures (~10–20 eV), the mode is benign, but at high temperatures (~100 eV) its amplitude undergoes relaxation oscillations, broadening the layer of injected current and flow at the surface of themore » injected toroidal flux and background plasma. The poloidal-field structure is affected and the magnetic surface closure is generally prevented while the mode undergoes relaxation oscillations during injection. Furthermore, this study describes the mode and uses linearized numerical computations and an analytic slab model to identify the unstable mode.« less

3D ion flow measurements and simulations near a boundary at oblique incidence to a magnetic field

NASA Astrophysics Data System (ADS)

Thompson, Derek S.; Keniley, Shane; Khaziev, Rinat; Curreli, Davide; Good, Timothy N.; Henriquez, Miguel; McIlvain, Julianne; Siddiqui, M. Umair; Scime, Earl E.

2016-10-01

Boundaries at oblique incidence to magnetic fields are abundant in magnetic confinement plasmas. The ion dynamics near these boundaries has implications for applications such as tokamak divertor wall loading and Hall thruster channel erosion. We present 3D, non-perturbative measurements of ion velocity distribution functions (IVDFs), providing ion temperatures and flows upstream of a grounded stainless steel limiter plate immersed in an argon plasma, oriented obliquely to the background axial magnetic field (ψ = 74°). The spatial resolution of the measurements is sufficient to probe the kinetic details of magnetic presheath structures, which span several ion Larmor radii ( 1 cm). Furthermore, we report probe measurements of electron density and temperature, and of local electric potential. To complement these measurements, results from particle-in-cell and Boltzmann models of the same region are presented. These models allow for point-to-point comparison of simulated and measured electrostatic structures and IVDFs at high spatial resolution. NSF Award PHYS-1360278.

Developmental arrest during embryonic development of the common chameleon (Chamaeleo chamaeleon) in Spain.

PubMed

Andrews, Robin M; Díaz-Paniagua, Carmen; Marco, Adolfo; Portheault, Alexandre

2008-01-01

Embryonic development of the common chameleon, Chamaeleo chamaeleon, was monitored from oviposition to hatching at a field site in southwestern Spain and in the laboratory under five experimental temperature regimes. Embryos were diapausing gastrulae at the time of oviposition; developmental arrest in the field continued as cold torpor during winter. Postarrest development in the field commenced in April, and hatching occurred in August, for a total incubation period of 10.5 mo. In the laboratory, one group of eggs was incubated at a constant warm (26 degrees C) temperature. The remaining treatments simulated field conditions and consisted of initial periods of warm temperature of 0, 27, 46, and 71 d, a subsequent 4-mo period of cold winter (16 degrees C) temperature, and a final period of warm (26 degrees C) temperature. Embryos in the constant warm temperature treatment were in diapause an average of 3 mo, with clutch means ranging from 2 to 4 mo. Hatching among clutches occurred over 2 mo. In contrast, for field and experimental eggs that experienced cold winter conditions, hatching within treatments occurred over 2-14 d; "winter" conditions synchronized development. The length of time between the end of cold conditions and hatching did not differ among treatments; development thus resumed as soon as temperature was suitable regardless of the initial period of warm temperature. Diapause in nature thus insures that embryos remain gastrulae after oviposition despite nest temperatures that may be warm enough to support development.

Mechanics of Carbon Nanotubes and their Polymer Composites

NASA Technical Reports Server (NTRS)

Wei, Chenyu; Cho, K. J.; Srivastava, Deepak; Tang, Harry (Technical Monitor)

2002-01-01

Contents include the folloving: carbon nanotube (CNT): structures, application of carbon nanotubes, simulation method, Elastic properties of carbon nanotubes, yield strain of CNT, yielding under tensile stress, yielding: strain-rate and temperature dependence, yield strain under tension, yielding at realistic conditions, nano fibers, polymer CNT composite, force field, density dependency on temperature, diffusion coefficients, young modulus, and conclusions.

A comparision of cumulative-germination response of cheatgrass (Bromus Tectorum L.) and five perennial bunchgrass species to simulated field-temperature regimes

USDA-ARS?s Scientific Manuscript database

Cheatgrass (Bromus tectorum L.) has come to dominate millions of hectares of rangeland in the Intermountain western United States. Previous studies have hypothesized that one mechanism conferring a competitive advantage to this species is the ability to germinate rapidly at low temperatures in the ...

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.

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.

Parallel transmission RF pulse design with strict temperature constraints.

PubMed

Deniz, Cem M; Carluccio, Giuseppe; Collins, Christopher

2017-05-01

RF safety in parallel transmission (pTx) is generally ensured by imposing specific absorption rate (SAR) limits during pTx RF pulse design. There is increasing interest in using temperature to ensure safety in MRI. In this work, we present a local temperature correlation matrix formalism and apply it to impose strict constraints on maximum absolute temperature in pTx RF pulse design for head and hip regions. Electromagnetic field simulations were performed on the head and hip of virtual body models. Temperature correlation matrices were calculated for four different exposure durations ranging between 6 and 24 min using simulated fields and body-specific constants. Parallel transmission RF pulses were designed using either SAR or temperature constraints, and compared with each other and unconstrained RF pulse design in terms of excitation fidelity and safety. The use of temperature correlation matrices resulted in better excitation fidelity compared with the use of SAR in parallel transmission RF pulse design (for the 6 min exposure period, 8.8% versus 21.0% for the head and 28.0% versus 32.2% for the hip region). As RF exposure duration increases (from 6 min to 24 min), the benefit of using temperature correlation matrices on RF pulse design diminishes. However, the safety of the subject is always guaranteed (the maximum temperature was equal to 39°C). This trend was observed in both head and hip regions, where the perfusion rates are very different. Copyright © 2017 John Wiley & Sons, Ltd.

Analyzing the effect of tool edge radius on cutting temperature in micro-milling process

NASA Astrophysics Data System (ADS)

Liang, Y. C.; Yang, K.; Zheng, K. N.; Bai, Q. S.; Chen, W. Q.; Sun, G. Y.

2010-10-01

Cutting heat is one of the important physical subjects in the cutting process. Cutting heat together with cutting temperature produced by the cutting process will directly have effects on the tool wear and the life as well as on the workpiece processing precision and surface quality. The feature size of the workpiece is usually several microns. Thus, the tiny changes of cutting temperature will affect the workpiece on the surface quality and accuracy. Therefore, cutting heat and temperature generated in micro-milling will have significantly different effect than the one in the traditional tools cutting. In this paper, a two-dimensional coupled thermal-mechanical finite element model is adopted to determine thermal fields and cutting temperature during the Micro-milling process, by using software Deform-2D. The effect of tool edge radius on effective stress, effective strain, velocity field and cutting temperature distribution in micro-milling of aluminum alloy Al2024-T6 were investigated and analyzed. Also, the transient cutting temperature distribution was simulated dynamically. The simulation results show that the cutting temperature in Micro-milling is lower than those occurring in conventional milling processes due to the small loads and low cutting velocity. With increase of tool edge radius, the maximum temperature region gradually occurs on the contact region between finished surfaced and flank face of micro-cutter, instead of the rake face or the corner of micro-cutter. And this phenomenon shows an obvious size effect.

Technical Note: On the Use of Nudging for Aerosol-Climate Model Intercomparison Studies

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

Zhang, Kai; Wan, Hui; Liu, Xiaohong

2014-08-26

Nudging is an assimilation technique widely used in the development and evaluation of climate models. Con- straining the simulated wind and temperature fields using global weather reanalysis facilitates more straightforward comparison between simulation and observation, and reduces uncertainties associated with natural variabilities of the large-scale circulation. On the other hand, the artificial forcing introduced by nudging can be strong enough to change the basic characteristics of the model climate. In the paper we show that for the Community Atmosphere Model version 5, due to the systematic temperature bias in the standard model and the relatively strong sensitivity of homogeneous icemore » nucleation to aerosol concentration, nudging towards reanalysis results in substantial reductions in the ice cloud amount and the impact of anthropogenic aerosols on longwave cloud forcing. In order to reduce discrepancies between the nudged and unconstrained simulations and meanwhile take the advantages of nudging, two alternative experimentation methods are evaluated. The first one constrains only the horizontal winds. The second method nudges both winds and temperature, but replaces the long-term climatology of the reanalysis by that of the model. Results show that both methods lead to substantially improved agreement with the free-running model in terms of the top-of-atmosphere radiation budget and cloud ice amount. The wind-only nudging is more convenient to apply, and provides higher correlations of the wind fields, geopotential height and specific humidity between simulation and reanalysis. This suggests that nudging the horizontal winds but not temperature is a good strategy, especially for studies that involve both warm and cold clouds.« less

The Late Integrated Sachs-Wolfe Effect and its detectability in galaxy-redshift surveys

NASA Astrophysics Data System (ADS)

Valencia-Díaz, D. R.; Muñoz-Cuartas, J. C.

2017-07-01

The late Integrated Sachs-Wolfe (ISW) effect is underwent by the Cosmic Microwave Background (CMB) photons due to the presence of the Large-Scale Structures (LSS) in an expanding Universe and can be measured through the temperature fluctuations of the CMB. In this work we use numerical simulations of structure formation to study the detectability of the ISW effect. Our method comprises the estimation of the density field through a Cloud-In-Cell mass assignment scheme. With the help of Fourier transforms we estimate the time derivative of the gravitational potential field in Fourier and in coordinate's space. Finally, this field is integrated numerically to know the ISW contribution. We study the time derivative of the potential in two approaches. First, an exact solution that makes use of the full velocity field. Second, a linear approximation related with the linear theory for the formation of LSS. We apply the method to three cosmological simulations. First, a box of 400 h-1 Mpc; second, the MultiDark1 simulation; third, the MultiDark-Plank simulation. For all cases we obtain coherent results with the expected in the literature for a ΛCDM cosmology: with the exact solution the temperature fluctuation is near the ± 30 μ K; the linear approximation shows a signal in the expected range of ± 20 μ K. This positive detection on simulations is important in order to know an expectation for the results we should obtain when working with observational data and will have important implications due to the lack of consensus about the detection of the ISW effect in previous works. Acknowledgements: This work was supported by Colciencias and Universidad de Antioquia, Convenio Beca-Pasantía Joven Investigador Convocatoria 645 de 2014.

Atmospheric Soundings from AIRS/AMSU/HSB

NASA Technical Reports Server (NTRS)

Susskind, Joel; Atlas, Robert

2004-01-01

AIRS was launched on EOS Aqua on May 4, 2002, together with AMSU A and HSB, to form a next generation polar orbiting infrared and microwave atmospheric sounding system. The primary products of AIRS/AMSU/HSB are twice daily global fields of atmospheric temperature-humidity profiles, ozone profiles, sea/land surface skin temperature, and cloud related parameters including OLR. The sounding goals of AIRS are to produce 1 km tropospheric layer mean temperatures with an rms error of lK, and 1 km tropospheric layer precipitable water with an rms error of 20%, in cases with up to 80% effective cloud cover. Pre-launch simulation studies indicated that these results should be achievable. Minor modifications have been made to the pre-launch retrieval algorithm as alluded to in this paper. Sample fields of parameters retrieved from AIRS/AMSU/HSB data are presented and temperature profiles are validated as a function of retrieved effective fractional cloud cover. As in simulation, the degradation of retrieval accuracy with increasing cloud cover is small. Select fields are also compared to those contained in the ECMWF analysis, done without the benefit of AIRS data, to demonstrate information that AIRS can add to that already contained in the ECMWF analysis. Assimilation of AIRS temperature soundings in up to 80% cloud cover for the month of January 2003 into the GSFC FVSSI data assimilation system resulted in improved 5 day forecasts globally, both with regard to anomaly correlation coefficients and the prediction of location and intensity of cyclones.

Current results from AlRS/AMSU/HSB

NASA Technical Reports Server (NTRS)

Susskind, Joel; Atlas, Robert; Barnet, Christopher; Blaisdell, Jon; Iredell, Lena; Bri, Genia; Jusem, Juan Carlos; Keita, Fricky; Kouvaris, Louis; Molnar, Gyula

2004-01-01

AIRS was launched on EOS Aqua on May 4,2002, together with AMSU A and HSB, to form a next generation polar orbiting infrared and microwave atmospheric sounding system. The primary products of AIRS/AMSU/HSB are twice daily global fields of atmospheric temperature-humidity profiles, ozone profiles, sea/land surface skin temperature, and cloud related parameters including OLR. The sounding goals of AIRS are to produce 1 km tropospheric layer mean temperatures with an rms error of 1K, and layer precipitable water with an rms error of 20%, in cases with up to 80% effective cloud cover. Pre-launch simulation studies indicated that these results should be achievable. Minor modifications have been made to the pre-launch retrieval algorithm as alluded to in this paper. Sample fields of parameters retrieved from AIRS/AMSU/HSB data are presented and temperature profiles are validated as a function of retrieved fractional cloud cover. As in simulation, the degradation of retrieval accuracy with increasing cloud cover is small. Select fields are also compared to those contained in the ECMWF analysis, done without the benefit of AIRS data, to demonstrate information that AIRS can add to that already contained in the ECMWF analysis. Assimilation of AIRS temperature soundings in up to 80% cloud cover for the month of January 2003 into the GSFC FVSSI data assimilation system resulted in improved 5 day forecasts globally, both with regard to anomaly correction coefficients and the prediction of location and intensity of cyclones.

The ion temperature gradient: An intrinsic property of Earth's magnetotail

NASA Astrophysics Data System (ADS)

Lu, San; Artemyev, A. V.; Angelopoulos, V.; Lin, Y.; Wang, X. Y.

2017-08-01

Although the ion temperature gradient along (XGSM) and across (ZGSM) the Earth's magnetotail, which plays a key role in generating the cross-tail current and establishing pressure balance with the lobes, has been extensively observed by spacecraft, the mechanism responsible for its formation is still unknown. We use multispacecraft observations and three-dimensional (3-D) global hybrid simulations to reveal this mechanism. Using THEMIS (Time History of Events and Macroscale Interactions during Substorms), Geotail, and ARTEMIS (Acceleration, Reconnection, Turbulence and Electrodynamics of Moon's Interaction with the Sun) observations during individual, near-simultaneous plasma sheet crossings from 10 to 60 RE, we demonstrate that the ion temperature ZGSM profile is bell-shaped at different geocentric distances. This ZGSM profile is also prevalent in statistics of 200 THEMIS current sheet crossings in the near-Earth region. Using 3-D global hybrid simulations, we show that mapping of the XGSM gradient of ion temperature along magnetic field lines produces such a bell-shaped profile. The ion temperature mapping along magnetic field lines in the magnetotail enables construction of two-dimensional distributions of these quantities from vertical (north-south) spacecraft crossings. Our findings suggest that the ion temperature gradient is an intrinsic property of the magnetotail that should be considered in kinetic descriptions of the magnetotail current sheet. Toward this goal, we use theoretical approaches to incorporate the temperature gradient into kinetic current sheet models, making them more realistic.

Comparison of the Melting Temperatures of Classical and Quantum Water Potential Models

NASA Astrophysics Data System (ADS)

Du, Sen; Yoo, Soohaeng; Li, Jinjin

2017-08-01

As theoretical approaches and technical methods improve over time, the field of computer simulations for water has greatly progressed. Water potential models become much more complex when additional interactions and advanced theories are considered. Macroscopic properties of water predicted by computer simulations using water potential models are expected to be consistent with experimental outcomes. As such, discrepancies between computer simulations and experiments could be a criterion to comment on the performances of various water potential models. Notably, water can occur not only as liquid phases but also as solid and vapor phases. Therefore, the melting temperature related to the solid and liquid phase equilibrium is an effective parameter to judge the performances of different water potential models. As a mini review, our purpose is to introduce some water models developed in recent years and the melting temperatures obtained through simulations with such models. Moreover, some explanations referred to in the literature are described for the additional evaluation of the water potential models.

Filament cooling and condensation in a sheared magnetic field

NASA Technical Reports Server (NTRS)

Van Hoven, Gerard

1990-01-01

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

Cu self-sputtering MD simulations for 0.1-5 keV ions at elevated temperatures

NASA Astrophysics Data System (ADS)

Metspalu, Tarvo; Jansson, Ville; Zadin, Vahur; Avchaciov, Konstantin; Nordlund, Kai; Aabloo, Alvo; Djurabekova, Flyura

2018-01-01

Self-sputtering of copper under high electric fields is considered to contribute to plasma buildup during a vacuum breakdown event frequently observed near metal surfaces, even in ultra high vacuum condition in different electric devices. In this study, by means of molecular dynamics simulations, we analyze the effect of surface temperature and morphology on the yield of self-sputtering of copper with ion energies of 0.1-5 keV. We analyze all three low-index surfaces of Cu, {1 0 0}, {1 1 0} and {1 1 1}, held at different temperatures, 300 K, 500 K and 1200 K. The surface roughness relief is studied by either varying the angle of incidence on flat surfaces, or by using arbitrary roughened surfaces, which result in a more natural distribution of surface relief variations. Our simulations provide detailed characterization of copper self-sputtering with respect to different material temperatures, crystallographic orientations, surface roughness, energies, and angles of ion incidence.

List-Based Simulated Annealing Algorithm for Traveling Salesman Problem

PubMed Central

Zhan, Shi-hua; Lin, Juan; Zhang, Ze-jun

2016-01-01

Simulated annealing (SA) algorithm is a popular intelligent optimization algorithm which has been successfully applied in many fields. Parameters' setting is a key factor for its performance, but it is also a tedious work. To simplify parameters setting, we present a list-based simulated annealing (LBSA) algorithm to solve traveling salesman problem (TSP). LBSA algorithm uses a novel list-based cooling schedule to control the decrease of temperature. Specifically, a list of temperatures is created first, and then the maximum temperature in list is used by Metropolis acceptance criterion to decide whether to accept a candidate solution. The temperature list is adapted iteratively according to the topology of the solution space of the problem. The effectiveness and the parameter sensitivity of the list-based cooling schedule are illustrated through benchmark TSP problems. The LBSA algorithm, whose performance is robust on a wide range of parameter values, shows competitive performance compared with some other state-of-the-art algorithms. PMID:27034650

Numerical analysis on temperature field in single-wire flux-aided backing-submerged arc welding

NASA Astrophysics Data System (ADS)

Pu, Juan; Wu, Ming Fang; Pan, Haichao

2017-07-01

Single-wire flux-aided backing-submerged arc welding (FAB-SAW) technology has been widely used to weld thick steel plate due to its easy assembly and high heat input. The microstructure and property of welded joint are closely related to the thermal field of FAB-SAW process. In this research, the feature of thermal field for single-wire FAB-SAW was investigated. Based on the heat transfer mechanism, a three-dimensional transient model for thermal field was developed based on the influence of steel thickness, groove angle and ceramic backing. The temperature profile in single-wire FAB-SAW of D36 steel under different welding conditions was simulated by ANSYS. The characteristic of thermal field was analyzed and the influences of groove angle on temperature field for different plate thicknesses were discussed. The calculated geometries and dimensions of weld cross-section under different conditions show a good agreement with the experimental results. This newly built model can describe the thermal field accurately, which would be helpful to understanding the thermophysical mechanism of FAB-SAW and optimizing the welding process.

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.

Modeling of air pollutant removal by dry deposition to urban trees using a WRF/CMAQ/i-Tree Eco coupled system.

PubMed

Cabaraban, Maria Theresa I; Kroll, Charles N; Hirabayashi, Satoshi; Nowak, David J

2013-05-01

A distributed adaptation of i-Tree Eco was used to simulate dry deposition in an urban area. This investigation focused on the effects of varying temperature, LAI, and NO2 concentration inputs on estimated NO2 dry deposition to trees in Baltimore, MD. A coupled modeling system is described, wherein WRF provided temperature and LAI fields, and CMAQ provided NO2 concentrations. A base case simulation was conducted using built-in distributed i-Tree Eco tools, and simulations using different inputs were compared against this base case. Differences in land cover classification and tree cover between the distributed i-Tree Eco and WRF resulted in changes in estimated LAI, which in turn resulted in variations in simulated NO2 dry deposition. Estimated NO2 removal decreased when CMAQ-derived concentration was applied to the distributed i-Tree Eco simulation. Discrepancies in temperature inputs did little to affect estimates of NO2 removal by dry deposition to trees in Baltimore. Copyright © 2013 Elsevier Ltd. All rights reserved.

Joule heating effects on particle immobilization in insulator-based dielectrophoretic devices

PubMed Central

Gallo-Villanueva, Roberto C.; Sano, Michael B.; Lapizco-Encinas, Blanca H.; Davalos, Rafael V.

2014-01-01

In this work, the temperature effects due to Joule heating obtained by application of a DC electric potential were investigated for a microchannel with cylindrical insulating posts employed for insulator based dielectrophoresis (iDEP). The conductivity of the suspending medium, the local electric field, and the gradient of the squared electric field, which directly affect the magnitude of the dielectrophoretic force exerted on particles, were computationally simulated employing COMSOL Multiphysics. It was observed that a temperature gradient is formed along the microchannel which redistributes the conductivity of the suspending medium leading to an increase of the dielectrophoretic force towards the inlet of the channel while decreasing towards the outlet. Experimental results are in good agreement with simulations on the particle trapping zones anticipated. This study demonstrates the importance of considering Joule heating effects when designing iDEP systems. PMID:24002905

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

PubMed

Dughiero, F; Corazza, S

2005-01-01

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

Characterization of the liquid Li-solid Mo (1 1 0) interface from classical molecular dynamics for plasma-facing applications

NASA Astrophysics Data System (ADS)

Vella, Joseph R.; Chen, Mohan; Fürstenberg, Sven; Stillinger, Frank H.; Carter, Emily A.; Debenedetti, Pablo G.; Panagiotopoulos, Athanassios Z.

2017-11-01

An understanding of the wetting properties and a characterization of the interface between liquid lithium (Li) and solid molybdenum (Mo) are relevant to assessing the efficacy of Li as a plasma-facing component in fusion reactors. In this work, a new second-nearest neighbor modified embedded-atom method (2NN MEAM) force field is parameterized to describe the interactions between Li and Mo. The new force field reproduces several benchmark properties obtained from first-principles quantum mechanics simulations, including binding curves for Li at three different adsorption sites and the corresponding forces on Li atoms adsorbed on the Mo (1 1 0) surface. This force field is then used to study the wetting of liquid Li on the (1 1 0) surface of Mo and to examine the Li-Mo interface using molecular dynamics simulations. From droplet simulations, we find that liquid Li tends to completely wet the perfect Mo (1 1 0) surface, in contradiction with previous experimental measurements that found non-zero contact angles for liquid Li on a Mo substrate. However, these experiments were not carried out under ultra-high vacuum conditions or with a perfect (1 1 0) Mo surface, suggesting that the presence of impurities, such as oxygen, and surface structure play a crucial role in this wetting process. From thin-film simulations, it is observed that the first layer of Li on the Mo (1 1 0) surface has many solid-like properties such as a low mobility and a larger degree of ordering when compared to layers further away from the surface, even at temperatures well above the bulk melting temperature of Li. These findings are consistent with temperature-programmed desorption experiments.

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 atmospheric boundary layer in the CSIRO global climate model: simulations versus observations

NASA Astrophysics Data System (ADS)

Garratt, J. R.; Rotstayn, L. D.; Krummel, P. B.

2002-07-01

A 5-year simulation of the atmospheric boundary layer in the CSIRO global climate model (GCM) is compared with detailed boundary-layer observations at six locations, two over the ocean and four over land. Field observations, in the form of surface fluxes and vertical profiles of wind, temperature and humidity, are generally available for each hour over periods of one month or more in a single year. GCM simulations are for specific months corresponding to the field observations, for each of five years. At three of the four land sites (two in Australia, one in south-eastern France), modelled rainfall was close to the observed climatological values, but was significantly in deficit at the fourth (Kansas, USA). Observed rainfall during the field expeditions was close to climatology at all four sites. At the Kansas site, modelled screen temperatures (Tsc), diurnal temperature amplitude and sensible heat flux (H) were significantly higher than observed, with modelled evaporation (E) much lower. At the other three land sites, there is excellent correspondence between the diurnal amplitude and phase and absolute values of each variable (Tsc, H, E). Mean monthly vertical profiles for specific times of the day show strong similarities: over land and ocean in vertical shape and absolute values of variables, and in the mixed-layer and nocturnal-inversion depths (over land) and the height of the elevated inversion or height of the cloud layer (over the sea). Of special interest is the presence climatologically of early morning humidity inversions related to dewfall and of nocturnal low-level jets; such features are found in the GCM simulations. The observed day-to-day variability in vertical structure is captured well in the model for most sites, including, over a whole month, the temperature range at all levels in the boundary layer, and the mix of shallow and deep mixed layers. Weaknesses or unrealistic structure include the following, (a) unrealistic model mixed-layer temperature profiles over land in clear skies, related to use of a simple local first-order turbulence closure, (b) a tendency to overpredict cloud liquid water near the surface.

Mirror force induced wave dispersion in Alfvén waves

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

Damiano, P. A.; Johnson, J. R.

2013-06-15

Recent hybrid MHD-kinetic electron simulations of global scale standing shear Alfvén waves along the Earth's closed dipolar magnetic field lines show that the upward parallel current region within these waves saturates and broadens perpendicular to the ambient magnetic field and that this broadening increases with the electron temperature. Using resistive MHD simulations, with a parallel Ohm's law derived from the linear Knight relation (which expresses the current-voltage relationship along an auroral field line), we explore the nature of this broadening in the context of the increased perpendicular Poynting flux resulting from the increased parallel electric field associated with mirror forcemore » effects. This increased Poynting flux facilitates wave energy dispersion across field lines which in-turn allows for electron acceleration to carry the field aligned current on adjacent field lines. This mirror force driven dispersion can dominate over that associated with electron inertial effects for global scale waves.« less

A computer program for the simulation of heat and moisture flow in soils

NASA Technical Reports Server (NTRS)

Camillo, P.; Schmugge, T. J.

1981-01-01

A computer program that simulates the flow of heat and moisture in soils is described. The space-time dependence of temperature and moisture content is described by a set of diffusion-type partial differential equations. The simulator uses a predictor/corrector to numerically integrate them, giving wetness and temperature profiles as a function of time. The simulator was used to generate solutions to diffusion-type partial differential equations for which analytical solutions are known. These equations include both constant and variable diffusivities, and both flux and constant concentration boundary conditions. In all cases, the simulated and analytic solutions agreed to within the error bounds which were imposed on the integrator. Simulations of heat and moisture flow under actual field conditions were also performed. Ground truth data were used for the boundary conditions and soil transport properties. The qualitative agreement between simulated and measured profiles is an indication that the model equations are reasonably accurate representations of the physical processes involved.

Numerical study of melt flow under the influence of heater-generating magnetic field during directional solidification of silicon ingots

NASA Astrophysics Data System (ADS)

Li, Zaoyang; Qi, Xiaofang; Liu, Lijun; Zhou, Genshu

2018-02-01

The alternating current (AC) in the resistance heater for generating heating power can induce a magnetic field in the silicon melt during directional solidification (DS) of silicon ingots. We numerically study the influence of such a heater-generating magnetic field on the silicon melt flow and temperature distribution in an industrial DS process. 3D simulations are carried out to calculate the Lorentz force distribution as well as the melt flow and heat transfer in the entire DS furnace. The pattern and intensity of silicon melt flow as well as the temperature distribution are compared for cases with and without Lorentz force. The results show that the Lorentz force induced by the heater-generating magnetic field is mainly distributed near the top and side surfaces of the silicon melt. The melt flow and temperature distribution, especially those in the upper part of the silicon region, can be influenced significantly by the magnetic field.

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

PubMed

Zhang, Lijun; Sun, Changyan

2018-04-18

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

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

PubMed Central

Sun, Changyan

2018-01-01

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

Thermal structure and cooling of neutron stars with magnetized envelopes

NASA Astrophysics Data System (ADS)

Potekhin, A. Y.; Yakovlev, D. G.

2001-07-01

The thermal structure of neutron stars with magnetized envelopes is studied using modern physics input. The relation between the internal (Tint) and local surface temperatures is calculated and fitted by analytic expressions for magnetic field strengths B from 0 to 1016 G and arbitrary inclination of the field lines to the surface. The luminosity of a neutron star with dipole magnetic field is calculated and fitted as a function of B, Tint, stellar mass and radius. In addition, we simulate cooling of neutron stars with magnetized envelopes. In particular, we analyse ultramagnetized envelopes of magnetars and also the effects of the magnetic field of the Vela pulsar on the determination of critical temperatures of neutron and proton superfluids in its core.

Simulation of nitrous oxide effluxes, crop yields and soil physical properties using the LandscapeDNDC model in managed ecosystem

NASA Astrophysics Data System (ADS)

Nyckowiak, Jedrzej; Lesny, Jacek; Haas, Edwin; Juszczak, Radoslaw; Kiese, Ralf; Butterbach-Bahl, Klaus; Olejnik, Janusz

2014-05-01

Modeling of nitrous oxide emissions from soil is very complex. Many different biological and chemical processes take place in soils which determine the amount of emitted nitrous oxide. Additionaly, biogeochemical models contain many detailed factors which may determine fluxes and other simulated variables. We used the LandscapeDNDC model in order to simulate N2O emissions, crop yields and soil physical properties from mineral cultivated soils in Poland. Nitrous oxide emissions from soils were modeled for fields with winter wheat, winter rye, spring barley, triticale, potatoes and alfalfa crops. Simulations were carried out for the plots of the Brody arable experimental station of Poznan University of Life Science in western Poland and covered the period 2003 - 2012. The model accuracy and its efficiency was determined by comparing simulations result with measurements of nitrous oxide emissions (measured with static chambers) from about 40 field campaigns. N2O emissions are strongly dependent on temperature and soil water content, hence we compared also simulated soil temperature at 10cm depth and soil water content at the same depth with the daily measured values of these driving variables. We compared also simulated yield quantities for each individual experimental plots with yield quantities which were measured in the period 2003-2012. We conclude that the LandscapeDNDC model is capable to simulate soil N2O emissions, crop yields and physical properties of soil with satisfactorily good accuracy and efficiency.

MODIS airborne simulator visible and near-infrared calibration, 1991 FIRE-Cirrus field experiment. Calibration version: FIRE King 1.1

NASA Technical Reports Server (NTRS)

Arnold, G. Thomas; Fitzgerald, Michael; Grant, Patrick S.; King, Michael D.

1994-01-01

Calibration of the visible and near-infrared channels of the MODIS Airborne Simulator (MAS) is derived from observations of a calibrated light source. For the 1991 FIRE-Cirrus field experiment, the calibrated light source was the NASA Goddard 48-inch integrating hemisphere. Laboratory tests during the FIRE Cirrus field experiment were conducted to calibrate the hemisphere and from the hemisphere to the MAS. The purpose of this report is to summarize the FIRE-Cirrus hemisphere calibration, and then describe how the MAS was calibrated from observations of the hemisphere data. All MAS calibration measurements are presented, and determination of the MAS calibration coefficients (raw counts to radiance conversion) is discussed. Thermal sensitivity of the MAS visible and near-infrared calibration is also discussed. Typically, the MAS in-flight is 30 to 60 degrees C colder than the room temperature laboratory calibration. Results from in-flight temperature measurements and tests of the MAS in a cold chamber are given, and from these, equations are derived to adjust the MAS in-flight data to what the value would be at laboratory conditions. For FIRE-Cirrus data, only channels 3 through 6 were found to be temperature sensitive. The final section of this report describes comparisons to an independent MAS (room temperature) calibration by Ames personnel using their 30-inch integrating sphere.

High resolution regional climate simulation of the Hawaiian Islands - Validation of the historical run from 2003 to 2012

NASA Astrophysics Data System (ADS)

Xue, L.; Newman, A. J.; Ikeda, K.; Rasmussen, R.; Clark, M. P.; Monaghan, A. J.

2016-12-01

A high-resolution (a 1.5 km grid spacing domain nested within a 4.5 km grid spacing domain) 10-year regional climate simulation over the entire Hawaiian archipelago is being conducted at the National Center for Atmospheric Research (NCAR) using the Weather Research and Forecasting (WRF) model version 3.7.1. Numerical sensitivity simulations of the Hawaiian Rainband Project (HaRP, a filed experiment from July to August in 1990) showed that the simulated precipitation properties are sensitive to initial and lateral boundary conditions, sea surface temperature (SST), land surface models, vertical resolution and cloud droplet concentration. The validations of model simulated statistics of the trade wind inversion, temperature, wind field, cloud cover, and precipitation over the islands against various observations from soundings, satellites, weather stations and rain gauges during the period from 2003 to 2012 will be presented at the meeting.

Accurate temperature measurement by temperature field analysis in diamond anvil cell for thermal transport study of matter under high pressures

NASA Astrophysics Data System (ADS)

Yue, Donghui; Ji, Tingting; Qin, Tianru; Wang, Jia; Liu, Cailong; Jiao, Hui; Zhao, Lin; Han, Yonghao; Gao, Chunxiao

2018-02-01

The study on the thermal transport properties of matter under high pressure is important but is hard to fulfill in a diamond anvil cell (DAC) because the accurate measurement of the temperature gradient within the sample of DAC is very difficult. In most cases, the sample temperature can be read accurately from the thermocouples that are directly attached to the lateral edges of diamond anvils because both the sample and diamond anvils can be uniformly heated up to a given temperature. But for the thermal transport property studies in DAC, an artificial temperature distribution along the compression axis is a prerequisite. Obviously, the temperature of the top or bottom surface of the sample cannot be substituted by that of diamond anvils although diamond anvils can be considered as a good medium for heat conduction. With temperature field simulation by finite element analysis, it is found that big measurement errors can occur and are fatal to the correct analysis of thermal transport properties of materials. Thus, a method of combining both the four-thermocouple configuration and temperature field analysis is presented for the accurate temperature distribution measurement in DAC, which is based on the single-function relationship between temperature distribution and sample thermal conductivity.

Effect of boundary heat flux on columnar formation in binary alloys: A phase-field study

NASA Astrophysics Data System (ADS)

Du, Lifei; Zhang, Peng; Yang, Shaomei; Chen, Jie; Du, Huiling

2018-02-01

A non-isothermal phase-field model was employed to simulate the columnar formation during rapid solidification in binary Ni-Cu alloy. Heat flux at different boundaries was applied to investigate the temperature gradient effect on the morphology, concentration and temperature distributions during directional solidifications. With the heat flux input/extraction from boundaries, coupling with latent heat release and initial temperature gradient, temperature distributions are significantly changed, leading to solute diffusion changes during the phase-transition. Thus, irregular columnar structures are formed during the directional solidification, and the concentration distribution in solid columnar arms could also be changed due to the different growing speeds and temperature distributions at the solid-liquid interfaces. Therefore, applying specific heat conditions at the solidifying boundaries could be an efficient way to control the microstructure during solidifications.

NUMERICAL SIMULATIONS OF CHROMOSPHERIC MICROFLARES

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

Jiang, R. L.; Fang, C.; Chen, P. F., E-mail: fangc@nju.edu.c

2010-02-20

With gravity, ionization, and radiation being considered, we perform 2.5 dimensional (2.5D) compressible resistive magnetohydrodynamic (MHD) simulations of chromospheric magnetic reconnection using the CIP-MOCCT scheme. The temperature distribution of the quiet-Sun atmospheric model VALC and the helium abundance (10%) are adopted. Our 2.5D MHD simulation reproduces qualitatively the temperature enhancement observed in chromospheric microflares. The temperature enhancement DELTAT is demonstrated to be sensitive to the background magnetic field, whereas the total evolution time DELTAt is sensitive to the magnitude of the anomalous resistivity. Moreover, we found a scaling law, which is described as DELTAT/DELTAt {approx} n{sub H} {sup -1.5} Bmore » {sup 2.1}eta{sub 0} {sup 0.88}. Our results also indicate that the velocity of the upward jet is much greater than that of the downward jet, and the X-point may move up or down.« less

A Numerical Model Study of Nocturnal Drainage Flows with Strong Wind and Temperature Gradients.

NASA Astrophysics Data System (ADS)

Yamada, T.; Bunker, S.

1989-07-01

A second-moment turbulence-closure model described in Yamada and Bunker is used to simulate nocturnal drainage flows observed during the 1984 ASCOT field expedition in Brush Creek, Colorado. In order to simulate the observed strong wind directional shear and temperature gradients, two modifications are added to the model. The strong wind directional shear was maintained by introducing a `nudging' term in the equation of motion to guide the modeled winds in the layers above the ridge top toward the observed wind direction. The second modification was accomplished by reformulating the conservation equation for the potential temperature in such a way that only the deviation from the horizontally averaged value was prognostically computed.The vegetation distribution used in this study is undoubtedly crude. Nevertheless, the present simulation suggests that tall tree canopy can play an important role in producing inhomogeneous wind distribution, particularly in the levels below the canopy top.

Study on numerical simulation of asymmetric structure aluminum profile extrusion based on ALE method

NASA Astrophysics Data System (ADS)

Chen, Kun; Qu, Yuan; Ding, Siyi; Liu, Changhui; Yang, Fuyong

2018-05-01

Using the HyperXtrude module based on the Arbitrary Lagrangian-Eulerian (ALE) finite element method, the paper simulates the steady extrusion process of the asymmetric structure aluminum die successfully. A verification experiment is carried out to verify the simulation results. Having obtained and analyzed the stress-strain field, temperature field and extruded velocity of the metal, it confirms that the simulation prediction results and the experimental schemes are consistent. The scheme of the die correction and optimization are discussed at last. By adjusting the bearing length and core thickness, adopting the structure of feeder plate protection, short shunt bridge in the upper die and three-level bonding container in the lower die to control the metal flowing, the qualified aluminum profile can be obtained.

Modeling of mid-infrared quantum cascade lasers: The role of temperature and operating field strength on the laser performance

NASA Astrophysics Data System (ADS)

Yousefvand, Hossein Reza

2017-07-01

In this paper a self-consistent numerical approach to study the temperature and bias dependent characteristics of mid-infrared (mid-IR) quantum cascade lasers (QCLs) is presented which integrates a number of quantum mechanical models. The field-dependent laser parameters including the nonradiative scattering times, the detuning and energy levels, the escape activation energy, the backfilling excitation energy and dipole moment of the optical transition are calculated for a wide range of applied electric fields by a self-consistent solution of Schrodinger-Poisson equations. A detailed analysis of performance of the obtained structure is carried out within a self-consistent solution of the subband population rate equations coupled with carrier coherent transport equations through the sequential resonant tunneling, by taking into account the temperature and bias dependency of the relevant parameters. Furthermore, the heat transfer equation is included in order to calculate the carrier temperature inside the active region levels. This leads to a compact predictive model to analyze the temperature and electric field dependent characteristics of the mid-IR QCLs such as the light-current (L-I), electric field-current (F-I) and core temperature-electric field (T-F) curves. For a typical mid-IR QCL, a good agreement was found between the simulated temperature-dependent L-I characteristic and experimental data, which confirms validity of the model. It is found that the main characteristics of the device such as output power and turn-on delay time are degraded by interplay between the temperature and Stark effects.

Phase-field simulation of weld solidification microstructure in an Al Cu alloy

NASA Astrophysics Data System (ADS)

Farzadi, A.; Do-Quang, M.; Serajzadeh, S.; Kokabi, A. H.; Amberg, G.

2008-09-01

Since the mechanical properties and the integrity of the weld metal depend on the solidification behaviour and the resulting microstructural characteristics, understanding weld pool solidification is of importance to engineers and scientists. Thermal and fluid flow conditions affect the weld pool geometry and solidification parameters. During solidification of the weld pool, a columnar grain structure develops in the weld metal. Prediction of the formation of the microstructure during welding may be an important and supporting factor for technology optimization. Nowadays, increasing computing power allows direct simulations of the dendritic and cell morphology of columnar grains in the molten zone for specific temperature conditions. In this study, the solidification microstructures of the weld pool at different locations along the fusion boundary are simulated during gas tungsten arc welding of Al-3wt%Cu alloy using the phase-field model for the directional solidification of dilute binary alloys. A macroscopic heat transfer and fluid flow model was developed to assess the solidification parameters, notably the temperature gradient and solidification growth rate. The effect of the welding speed is investigated. Computer simulations of the solidification conditions and the formation of a cellular morphology during the directional solidification in gas tungsten arc welding are described. Moreover, the simulation results are compared with existing theoretical models and experimental findings.

Properties of Decaying Plasma Turbulence at Subproton Scales

NASA Astrophysics Data System (ADS)

Olshevsky, Vyacheslav; Servidio, Sergio; Pucci, Francesco; Primavera, Leonardo; Lapenta, Giovanni

2018-06-01

We study the properties of plasma turbulence at subproton scales using kinetic electromagnetic three-dimensional simulations with nonidentical initial conditions. Particle-in-cell modeling of the Taylor–Green vortex has been performed, starting from three different magnetic field configurations. All simulations expose very similar energy evolution in which the large-scale ion flows and magnetic structures deteriorate and transfer their energy into particle heating. Heating is more intense for electrons, decreasing the initial temperature ratio and leading to temperature equipartition between the two species. A full turbulent cascade, with a well-defined power-law shape at subproton scales, is established within a characteristic turnover time. Spectral indices for magnetic field fluctuations in two simulations are close to α B ≈ 2.9, and are steeper in the remaining case with α B ≈ 3.05. Energy is dissipated by a complex mixture of plasma instabilities and magnetic reconnection and is milder in the latter simulation. The number of magnetic nulls, and the dissipation pattern observed in this case, differ from two others. Spectral indices for the kinetic energy deviate from magnetic spectra by ≈1 in the first simulation, and by ≈0.75 in two other runs. The difference between magnetic and electric slopes confirm the previously observed value of α B ‑ α E ≈ 2.

Roof temperatures in simulated attics

Treesearch

J. E. Winandy; R. Beaumont

The degradation of wood treated with fire retardant (FR) chemicals in roof systems is a problem of major national significance. Understanding of this phenomenon is limited by lack of information on how the performance of FR-treated wood in the laboratory correlates to that of FR-treated wood in the field. In this study, five outdoor field exposure chambers were...

Classical force field for hydrofluorocarbon molecular simulations. Application to the study of gas solubility in poly(vinylidene fluoride).

PubMed

Lachet, V; Teuler, J-M; Rousseau, B

2015-01-08

A classical all-atoms force field for molecular simulations of hydrofluorocarbons (HFCs) has been developed. Lennard-Jones force centers plus point charges are used to represent dispersion-repulsion and electrostatic interactions. Parametrization of this force field has been performed iteratively using three target properties of pentafluorobutane: the quantum energy of an isolated molecule, the dielectric constant in the liquid phase, and the compressed liquid density. The accuracy and transferability of this new force field has been demonstrated through the simulation of different thermophysical properties of several fluorinated compounds, showing significant improvements compared to existing models. This new force field has been applied to study solubilities of several gases in poly(vinylidene fluoride) (PVDF) above the melting temperature of this polymer. The solubility of CH4, CO2, H2S, H2, N2, O2, and H2O at infinite dilution has been computed using test particle insertions in the course of a NpT hybrid Monte Carlo simulation. For CH4, CO2, and their mixtures, some calculations beyond the Henry regime have also been performed using hybrid Monte Carlo simulations in the osmotic ensemble, allowing both swelling and solubility determination. An ideal mixing behavior is observed, with identical solubility coefficients in the mixtures and in pure gas systems.

Numerical Analysis of the Interaction between Thermo-Fluid Dynamics and Auto-Ignition Reaction in Spark Ignition Engines

NASA Astrophysics Data System (ADS)

Saijyo, Katsuya; Nishiwaki, Kazuie; Yoshihara, Yoshinobu

The CFD simulations were performed integrating the low-temperature oxidation reaction. Analyses were made with respect to the first auto-ignition location in the case of a premixed-charge compression auto-ignition in a laminar flow field and in the case of the auto-ignition in an end gas during an S. I. Engine combustion process. In the latter simulation, the spatially-filtered transport equations were solved to express fluctuating temperatures in a turbulent flow in consideration of strong non-linearity to temperature in the reaction equations. It is suggested that the first auto-ignition location does not always occur at higher-temperature locations and that the difference in the locations of the first auto-ignition depends on the time period during which the local end gas temperature passes through the region of shorter ignition delay, including the NTC region.

Molecular Dynamics Simulations of a Cyclic DP-240 Amylose Fragment in a Periodic Cell: Glass Transition Temperature and Water Diffusion

USDA-ARS?s Scientific Manuscript database

Molecular dynamics simulations using AMB06C, an in-house carbohydrate force field, (NPT ensembles, 1atm) were carried out on a periodic cell that contained a cyclic-DP-240 amylose fragment and TIP3P water molecules. Molecular conformation and movement of the amylose fragment and water molecules at ...

Seasonal thermal energy storage in aquifers: Mathematical modeling studies in 1979

NASA Technical Reports Server (NTRS)

Tsang, C. F.

1980-01-01

A numerical model of water and heat flow in geologic media was developed, verified, and tested. The hydraulic parameters (transmittivity and storativity) and the location of a linear hydrologic barrier were simulated and compared with results from field experiments involving two injection-storage-recovery cycles. For both cycles, the initial simulated and observed temperatures agree (55c).

OBSERVATIONAL SIGNATURES OF CORONAL LOOP HEATING AND COOLING DRIVEN BY FOOTPOINT SHUFFLING

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

Dahlburg, R. B.; Taylor, B. D.; Einaudi, G.

The evolution of a coronal loop is studied by means of numerical simulations of the fully compressible three-dimensional magnetohydrodynamic equations using the HYPERION code. The footpoints of the loop magnetic field are advected by random motions. As a consequence, the magnetic field in the loop is energized and develops turbulent nonlinear dynamics characterized by the continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Dissipation is nonuniformly distributed so that only a fraction of the coronal mass and volume gets heated at any time. Temperature and density are highly structured at scalesmore » that, in the solar corona, remain observationally unresolved: the plasma of our simulated loop is multithermal, where highly dynamical hotter and cooler plasma strands are scattered throughout the loop at sub-observational scales. Numerical simulations of coronal loops of 50,000 km length and axial magnetic field intensities ranging from 0.01 to 0.04 T are presented. To connect these simulations to observations, we use the computed number densities and temperatures to synthesize the intensities expected in emission lines typically observed with the Extreme Ultraviolet Imaging Spectrometer on Hinode. These intensities are used to compute differential emission measure distributions using the Monte Carlo Markov Chain code, which are very similar to those derived from observations of solar active regions. We conclude that coronal heating is found to be strongly intermittent in space and time, with only small portions of the coronal loop being heated: in fact, at any given time, most of the corona is cooling down.« less

Crop Model Improvement Reduces the Uncertainty of the Response to Temperature of Multi-Model Ensembles

NASA Technical Reports Server (NTRS)

Maiorano, Andrea; Martre, Pierre; Asseng, Senthold; Ewert, Frank; Mueller, Christoph; Roetter, Reimund P.; Ruane, Alex C.; Semenov, Mikhail A.; Wallach, Daniel; Wang, Enli

2016-01-01

To improve climate change impact estimates and to quantify their uncertainty, multi-model ensembles (MMEs) have been suggested. Model improvements can improve the accuracy of simulations and reduce the uncertainty of climate change impact assessments. Furthermore, they can reduce the number of models needed in a MME. Herein, 15 wheat growth models of a larger MME were improved through re-parameterization and/or incorporating or modifying heat stress effects on phenology, leaf growth and senescence, biomass growth, and grain number and size using detailed field experimental data from the USDA Hot Serial Cereal experiment (calibration data set). Simulation results from before and after model improvement were then evaluated with independent field experiments from a CIMMYT worldwide field trial network (evaluation data set). Model improvements decreased the variation (10th to 90th model ensemble percentile range) of grain yields simulated by the MME on average by 39% in the calibration data set and by 26% in the independent evaluation data set for crops grown in mean seasonal temperatures greater than 24 C. MME mean squared error in simulating grain yield decreased by 37%. A reduction in MME uncertainty range by 27% increased MME prediction skills by 47%. Results suggest that the mean level of variation observed in field experiments and used as a benchmark can be reached with half the number of models in the MME. Improving crop models is therefore important to increase the certainty of model-based impact assessments and allow more practical, i.e. smaller MMEs to be used effectively.

Heat transport modeling of the dot spectroscopy platform on NIF

DOE PAGES

Farmer, W. A.; Jones, O. S.; Barrios, M. A.; ...

2018-02-13

Electron heat transport within an inertial-fusion hohlraum plasma is difficult to model due to the complex interaction of kinetic plasma effects, magnetic fields, laser-plasma interactions, and microturbulence. In this paper, simulations using the radiation-hydrodynamic code, HYDRA, are compared to hohlraum plasma experiments which contain a Manganese–Cobalt tracer dot (Barrios et al 2016 Phys. Plasmas 23 056307). The dot is placed either on the capsule or on a film midway between the capsule and the laser-entrance hole. From spectroscopic measurements, electron temperature and position of the dot are inferred. Simulations are performed with ad hoc flux limiters of f = 0.15more » and f = 0.03 (with electron heat flux, q, limited to fnT 3/2/m 1/2), and two more physical means of flux limitation: the magnetohydrodynamics and nonlocal packages. The nonlocal model agrees best with the temperature of the dot-on-film and dot-on-capsule. The hohlraum produced x-ray flux is over-predicted by roughly ~11% for the f = 0.03 model and the remaining models by ~16%. The simulated trajectories of the dot-on-capsule are slightly ahead of the experimental trajectory for all but the f = 0.03 model. The simulated dot-on-film position disagrees with the experimental measurement for all transport models. In the MHD simulation of the dot-on-film, the dot is strongly perturbative, though the simulation predicts a peak dot-on-film temperature 2–3 keV higher than the measurement. Finally, this suggests a deficiency in the MHD modeling possibly due to the neglect of the Righi–Leduc term or interpenetrating flows of multiple ion species which would reduce the strength of the self-generated fields.« less

Heat transport modeling of the dot spectroscopy platform on NIF

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

Farmer, W. A.; Jones, O. S.; Barrios, M. A.

Electron heat transport within an inertial-fusion hohlraum plasma is difficult to model due to the complex interaction of kinetic plasma effects, magnetic fields, laser-plasma interactions, and microturbulence. In this paper, simulations using the radiation-hydrodynamic code, HYDRA, are compared to hohlraum plasma experiments which contain a Manganese–Cobalt tracer dot (Barrios et al 2016 Phys. Plasmas 23 056307). The dot is placed either on the capsule or on a film midway between the capsule and the laser-entrance hole. From spectroscopic measurements, electron temperature and position of the dot are inferred. Simulations are performed with ad hoc flux limiters of f = 0.15more » and f = 0.03 (with electron heat flux, q, limited to fnT 3/2/m 1/2), and two more physical means of flux limitation: the magnetohydrodynamics and nonlocal packages. The nonlocal model agrees best with the temperature of the dot-on-film and dot-on-capsule. The hohlraum produced x-ray flux is over-predicted by roughly ~11% for the f = 0.03 model and the remaining models by ~16%. The simulated trajectories of the dot-on-capsule are slightly ahead of the experimental trajectory for all but the f = 0.03 model. The simulated dot-on-film position disagrees with the experimental measurement for all transport models. In the MHD simulation of the dot-on-film, the dot is strongly perturbative, though the simulation predicts a peak dot-on-film temperature 2–3 keV higher than the measurement. Finally, this suggests a deficiency in the MHD modeling possibly due to the neglect of the Righi–Leduc term or interpenetrating flows of multiple ion species which would reduce the strength of the self-generated fields.« less

Heat transport modeling of the dot spectroscopy platform on NIF

NASA Astrophysics Data System (ADS)

Farmer, W. A.; Jones, O. S.; Barrios, M. A.; Strozzi, D. J.; Koning, J. M.; Kerbel, G. D.; Hinkel, D. E.; Moody, J. D.; Suter, L. J.; Liedahl, D. A.; Lemos, N.; Eder, D. C.; Kauffman, R. L.; Landen, O. L.; Moore, A. S.; Schneider, M. B.

2018-04-01

Electron heat transport within an inertial-fusion hohlraum plasma is difficult to model due to the complex interaction of kinetic plasma effects, magnetic fields, laser-plasma interactions, and microturbulence. Here, simulations using the radiation-hydrodynamic code, HYDRA, are compared to hohlraum plasma experiments which contain a Manganese-Cobalt tracer dot (Barrios et al 2016 Phys. Plasmas 23 056307). The dot is placed either on the capsule or on a film midway between the capsule and the laser-entrance hole. From spectroscopic measurements, electron temperature and position of the dot are inferred. Simulations are performed with ad hoc flux limiters of f = 0.15 and f = 0.03 (with electron heat flux, q, limited to fnT 3/2/m 1/2), and two more physical means of flux limitation: the magnetohydrodynamics and nonlocal packages. The nonlocal model agrees best with the temperature of the dot-on-film and dot-on-capsule. The hohlraum produced x-ray flux is over-predicted by roughly ˜11% for the f = 0.03 model and the remaining models by ˜16%. The simulated trajectories of the dot-on-capsule are slightly ahead of the experimental trajectory for all but the f = 0.03 model. The simulated dot-on-film position disagrees with the experimental measurement for all transport models. In the MHD simulation of the dot-on-film, the dot is strongly perturbative, though the simulation predicts a peak dot-on-film temperature 2-3 keV higher than the measurement. This suggests a deficiency in the MHD modeling possibly due to the neglect of the Righi-Leduc term or interpenetrating flows of multiple ion species which would reduce the strength of the self-generated fields.

Phase transitions and dynamics of bulk and interfacial water.

PubMed

Franzese, G; Hernando-Martínez, A; Kumar, P; Mazza, M G; Stokely, K; Strekalova, E G; de los Santos, F; Stanley, H E

2010-07-21

New experiments on water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed to offer a suitable interpretation. Detailed simulations suffer from the same problem, where equilibration times at low temperature become extremely long. We show how Monte Carlo simulations and mean field calculations using a tractable model of water help interpret the experimental results. Here we summarize the results for bulk water and investigate the thermodynamic and dynamic properties of supercooled water at an interface.

Predictive study on the risk of malaria spreading due to global warming

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

Ono, Masaji

Global warming will bring about a temperature elevation, and the habitat of vectors of infectious diseases, such as malaria and dengue fever, will spread into subtropical or temperate zone. The purpose of this study is to simulate the spreading of these diseases through reexamination of existing data and collection of some additional information by field survey. From these data, the author will establish the relationship between meteorological conditions, vector density and malaria occurrence. And then he will simulate and predict the malaria epidemics in case of temperature elevation in southeast Asia and Japan.

On the primary spacing and microsegregation of cellular dendrites in laser deposited Ni-Nb alloys

NASA Astrophysics Data System (ADS)

Ghosh, Supriyo; Ma, Li; Ofori-Opoku, Nana; Guyer, Jonathan E.

2017-09-01

In this study, an alloy phase-field model is used to simulate solidification microstructures at different locations within a solidified molten pool. The temperature gradient G and the solidification velocity V are obtained from a macroscopic heat transfer finite element simulation and provided as input to the phase-field model. The effects of laser beam speed and the location within the melt pool on the primary arm spacing and on the extent of Nb partitioning at the cell tips are investigated. Simulated steady-state primary spacings are compared with power law and geometrical models. Cell tip compositions are compared to a dendrite growth model. The extent of non-equilibrium interface partitioning of the phase-field model is investigated. Although the phase-field model has an anti-trapping solute flux term meant to maintain local interface equilibrium, we have found that during simulations it was insufficient at maintaining equilibrium. This is due to the fact that the additive manufacturing solidification conditions fall well outside the allowed limits of this flux term.

Evaluation of the HadGEM3-A simulations in view of detection and attribution of human influence on extreme events in Europe

NASA Astrophysics Data System (ADS)

Vautard, Robert; Christidis, Nikolaos; Ciavarella, Andrew; Alvarez-Castro, Carmen; Bellprat, Omar; Christiansen, Bo; Colfescu, Ioana; Cowan, Tim; Doblas-Reyes, Francisco; Eden, Jonathan; Hauser, Mathias; Hegerl, Gabriele; Hempelmann, Nils; Klehmet, Katharina; Lott, Fraser; Nangini, Cathy; Orth, René; Radanovics, Sabine; Seneviratne, Sonia I.; van Oldenborgh, Geert Jan; Stott, Peter; Tett, Simon; Wilcox, Laura; Yiou, Pascal

2018-04-01

A detailed analysis is carried out to assess the HadGEM3-A global atmospheric model skill in simulating extreme temperatures, precipitation and storm surges in Europe in the view of their attribution to human influence. The analysis is performed based on an ensemble of 15 atmospheric simulations forced with observed sea surface temperature of the 54 year period 1960-2013. These simulations, together with dual simulations without human influence in the forcing, are intended to be used in weather and climate event attribution. The analysis investigates the main processes leading to extreme events, including atmospheric circulation patterns, their links with temperature extremes, land-atmosphere and troposphere-stratosphere interactions. It also compares observed and simulated variability, trends and generalized extreme value theory parameters for temperature and precipitation. One of the most striking findings is the ability of the model to capture North-Atlantic atmospheric weather regimes as obtained from a cluster analysis of sea level pressure fields. The model also reproduces the main observed weather patterns responsible for temperature and precipitation extreme events. However, biases are found in many physical processes. Slightly excessive drying may be the cause of an overestimated summer interannual variability and too intense heat waves, especially in central/northern Europe. However, this does not seem to hinder proper simulation of summer temperature trends. Cold extremes appear well simulated, as well as the underlying blocking frequency and stratosphere-troposphere interactions. Extreme precipitation amounts are overestimated and too variable. The atmospheric conditions leading to storm surges were also examined in the Baltics region. There, simulated weather conditions appear not to be leading to strong enough storm surges, but winds were found in very good agreement with reanalyses. The performance in reproducing atmospheric weather patterns indicates that biases mainly originate from local and regional physical processes. This makes local bias adjustment meaningful for climate change attribution.

[The Diagnostics of Detonation Flow External Field Based on Multispectral Absorption Spectroscopy Technology].

PubMed

Lü, Xiao-jing; Li, Ning; Weng, Chun-sheng

2016-03-01

Compared with traditional sampling-based sensing method, absorption spectroscopy technology is well suitable for detonation flow diagnostics, since it can provide with us fast response, nonintrusive, sensitive solution for situ measurements of multiple flow-field parameters. The temperature and concentration test results are the average values along the laser path with traditional absorption spectroscopy technology, while the boundary of detonation flow external field is unknown and it changes all the time during the detonation engine works, traditional absorption spectroscopy technology is no longer suitable for detonation diagnostics. The trend of line strength with temperature varies with different absorption lines. By increasing the number of absorption lines in the test path, more information of the non-uniform flow field can be obtained. In this paper, based on multispectral absorption technology, the reconstructed model of detonation flow external field distribution was established according to the simulation results of space-time conservation element and solution element method, and a diagnostic method of detonation flow external field was given. The model deviation and calculation error of the least squares method adopted were studied by simulation, and the maximum concentration and temperature calculation error was 20.1% and 3.2%, respectively. Four absorption lines of H2O were chosen and detonation flow was scanned at the same time. The detonation external flow testing system was set up for the valveless gas-liquid continuous pulse detonation engine with the diameter of 80 mm. Through scanning H2O absorption lines with a high frequency of 10 kHz, the on-line detection of detonation external flow was realized by direct absorption method combined with time-division multiplexing technology, and the reconstruction of dynamic temperature distribution was realized as well for the first time, both verifying the feasibility of the test method. The test results show that both of the temperature and H2O concentration rose with the arrival of detonation wave. With the increase of the vertical distance between the detonation tube nozzle and the laser path, the time of temperature and concentration coming to the peak delayed, and the temperature variation trend tended to slow down. At 20 cm from detonation tube nozzle, the maximum temperature hit 1 329 K and the maximum H2O concentration of 0.19 occurred at 4 ms after ignition. The research can provide with us the support for expanding the detonation test field with absorption spectroscopy technology, and can also help to promote the detonation mechanism research and to enhance the level of detonation engine control technology.

Non-polarizable force field of water based on the dielectric constant: TIP4P/ε.

PubMed

Fuentes-Azcatl, Raúl; Alejandre, José

2014-02-06

The static dielectric constant at room temperature and the temperature of maximum density are used as target properties to develop, by molecular dynamics simulations, the TIP4P/ε force field of water. The TIP4P parameters are used as a starting point. The key step, to determine simultaneously both properties, is to perform simulations at 240 K where a molecular dipole moment of minimum density is found. The minimum is shifted to larger values of μ as the distance between the oxygen atom and site M, lOM, decreases. First, the parameters that define the dipole moment are adjusted to reproduce the experimental dielectric constant and then the Lennard-Jones parameters are varied to match the temperature of maximum density. The minimum on density at 240 K allows understanding why reported TIP4P models fail to reproduce the temperature of maximum density, the dielectric constant, or both properties. The new model reproduces some of the thermodynamic and transport anomalies of water. Additionally, the dielectric constant, thermodynamics, and dynamical and structural properties at different temperatures and pressures are in excellent agreement with experimental data. The computational cost of the new model is the same as that of the TIP4P.

Parallel Tempering of Dark Matter from the Ebola Virus Proteome: Comparison of CHARMM36m and CHARMM22 Force Fields with Implicit Solvent.

PubMed

Olson, Mark A

2018-01-22

Intrinsically disordered proteins are characterized by their large manifold of thermally accessible conformations and their related statistical weights, making them an interesting target of simulation studies. To assess the development of a computational framework for modeling this distinct class of proteins, this work examines temperature-based replica-exchange simulations to generate a conformational ensemble of a 28-residue peptide from the Ebola virus protein VP35. Starting from a prefolded helix-β-turn-helix topology observed in a crystallographic assembly, the simulation strategy tested is the recently refined CHARMM36m force field combined with a generalized Born solvent model. A comparison of two replica-exchange methods is provided, where one is a traditional approach with a fixed set of temperatures and the other is an adaptive scheme in which the thermal windows are allowed to move in temperature space. The assessment is further extended to include a comparison with equivalent CHARMM22 simulation data sets. The analysis finds CHARMM36m to shift the minimum in the potential of mean force (PMF) to a lower fractional helicity compared with CHARMM22, while the latter showed greater conformational plasticity along the helix-forming reaction coordinate. Among the simulation models, only the adaptive tempering method with CHARMM36m found an ensemble of conformational heterogeneity consisting of transitions between α-helix-β-hairpin folds and unstructured states that produced a PMF of fractional fold propensity in qualitative agreement with circular dichroism experiments reporting a disordered peptide.

Simulation studies promote technological development of radiofrequency phased array hyperthermia.

PubMed

Wust, P; Seebass, M; Nadobny, J; Deuflhard, P; Mönich, G; Felix, R

1996-01-01

A treatment planning program package for radiofrequency hyperthermia has been developed. It consists of software modules for processing three-dimensional computerized tomography (CT) data sets, manual segmentation, generation of tetrahedral grids, numerical calculation and optimisation of three-dimensional E field distributions using a volume surface integral equation algorithm as well as temperature distributions using an adaptive multilevel finite-elements code, and graphical tools for simultaneous representation of CT data and simulation results. Heat treatments are limited by hot spots in healthy tissues caused by E field maxima at electrical interfaces (bone/muscle). In order to reduce or avoid hot spots suitable objective functions are derived from power deposition patterns and temperature distributions, and are utilised to optimise antenna parameters (phases, amplitudes). The simulation and optimisation tools have been applied to estimate the improvements that could be reached by upgrades of the clinically used SIGMA-60 applicator (consisting of a single ring of four antenna pairs). The investigated upgrades are increased number of antennas and channels (triple-ring of 3 x 8 antennas and variation of antenna inclination. Significant improvement of index temperatures (1-2 degrees C) is achieved by upgrading the single ring to a triple ring with free phase selection for every antenna or antenna pair. Antenna amplitudes and inclinations proved as less important parameters.

Numerical simulation of the heat transfer at cooling a high-temperature metal cylinder by a flow of a gas-liquid medium

NASA Astrophysics Data System (ADS)

Makarov, S. S.; Lipanov, A. M.; Karpov, A. I.

2017-10-01

The numerical modeling results for the heat transfer during cooling a metal cylinder by a gas-liquid medium flow in an annular channel are presented. The results are obtained on the basis of the mathematical model of the conjugate heat transfer of the gas-liquid flow and the metal cylinder in a two-dimensional nonstationary formulation accounting for the axisymmetry of the cooling medium flow relative to the cylinder longitudinal axis. To solve the system of differential equations the control volume approach is used. The flow field parameters are calculated by the SIMPLE algorithm. To solve iteratively the systems of linear algebraic equations the Gauss-Seidel method with under-relaxation is used. The results of the numerical simulation are verified by comparing the results of the numerical simulation with the results of the field experiment. The calculation results for the heat transfer parameters at cooling the high-temperature metal cylinder by the gas-liquid flow are obtained with accounting for evaporation. The values of the rate of cooling the cylinder by the laminar flow of the cooling medium are determined. The temperature change intensity for the metal cylinder is analyzed depending on the initial velocity of the liquid flow and the time of the cooling process.

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

USGS Publications Warehouse

Swain, Eric; Decker, Jeremy

2010-01-01

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

Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

NASA Technical Reports Server (NTRS)

Scalapino, D. J.; Sugar, R. L.; White, S. R.; Bickers, N. E.; Scalettar, R. T.

1989-01-01

Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide)

DOE PAGES

Abbott, Lauren J.; Stevens, Mark J.

2015-12-22

In this study, a coarse-grained (CG) model is developed for the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM), using a hybrid top-down and bottom-up approach. Nonbonded parameters are fit to experimental thermodynamic data following the procedures of the SDK (Shinoda, DeVane, and Klein) CG force field, with minor adjustments to provide better agreement with radial distribution functions from atomistic simulations. Bonded parameters are fit to probability distributions from atomistic simulations using multi-centered Gaussian-based potentials. The temperature-dependent potentials derived for the PNIPAM CG model in this work properly capture the coil–globule transition of PNIPAM single chains and yield a chain-length dependence consistent with atomisticmore » simulations.« less

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.

Development of numerical model for predicting heat generation and temperatures in MSW landfills.

PubMed

Hanson, James L; Yeşiller, Nazli; Onnen, Michael T; Liu, Wei-Lien; Oettle, Nicolas K; Marinos, Janelle A

2013-10-01

A numerical modeling approach has been developed for predicting temperatures in municipal solid waste landfills. Model formulation and details of boundary conditions are described. Model performance was evaluated using field data from a landfill in Michigan, USA. The numerical approach was based on finite element analysis incorporating transient conductive heat transfer. Heat generation functions representing decomposition of wastes were empirically developed and incorporated to the formulation. Thermal properties of materials were determined using experimental testing, field observations, and data reported in literature. The boundary conditions consisted of seasonal temperature cycles at the ground surface and constant temperatures at the far-field boundary. Heat generation functions were developed sequentially using varying degrees of conceptual complexity in modeling. First a step-function was developed to represent initial (aerobic) and residual (anaerobic) conditions. Second, an exponential growth-decay function was established. Third, the function was scaled for temperature dependency. Finally, an energy-expended function was developed to simulate heat generation with waste age as a function of temperature. Results are presented and compared to field data for the temperature-dependent growth-decay functions. The formulations developed can be used for prediction of temperatures within various components of landfill systems (liner, waste mass, cover, and surrounding subgrade), determination of frost depths, and determination of heat gain due to decomposition of wastes. Copyright © 2013 Elsevier Ltd. All rights reserved.

Transport of passive scalars in a turbulent channel flow

NASA Technical Reports Server (NTRS)

Kim, John; Moin, Parviz

1987-01-01

A direct numerical simulation of a turbulent channel flow with three passive scalars at different molecular Prandtl numbers is performed. Computed statistics including the turbulent Prandtl numbers are compared with existing experimental data. The computed fields are also examined to investigate the spatial structure of the scalar fields. The scalar fields are highly correlated with the streamwise velocity; the correlation coefficient between the temperature and the streamwise velocity is as high as 0.95 in the wall region. The joint probability distributions between the temperature and velocity fluctuations are also examined; they suggest that it might be possible to model the scalar fluxes in the wall region in a manner similar to the Reynolds stresses.

Planetary Boundary Layer Simulation Using TASS

NASA Technical Reports Server (NTRS)

Schowalter, David G.; DeCroix, David S.; Lin, Yuh-Lang; Arya, S. Pal; Kaplan, Michael

1996-01-01

Boundary conditions to an existing large-eddy simulation model have been changed in order to simulate turbulence in the atmospheric boundary layer. Several options are now available, including the use of a surface energy balance. In addition, we compare convective boundary layer simulations with the Wangara and Minnesota field experiments as well as with other model results. We find excellent agreement of modelled mean profiles of wind and temperature with observations and good agreement for velocity variances. Neutral boundary simulation results are compared with theory and with previously used models. Agreement with theory is reasonable, while agreement with previous models is excellent.

Giant electrocaloric response in the prototypical Pb(Mg,Nb)O3 relaxor ferroelectric from atomistic simulations

NASA Astrophysics Data System (ADS)

Jiang, Zhijun; Nahas, Y.; Prokhorenko, S.; Prosandeev, S.; Wang, D.; Íñiguez, Jorge; Bellaiche, L.

2018-03-01

An atomistic effective Hamiltonian is used to investigate electrocaloric (EC) effects of Pb (Mg1 /3Nb2 /3) O3 relaxor ferroelectrics in its ergodic regime, and subject to electric fields applied along the pseudocubic [111] direction. Such a Hamiltonian qualitatively reproduces (i) the electric field-versus-temperature phase diagram, including the existence of a critical point where first-order and second-order transitions meet each other; and (ii) a giant EC response near such a critical point. It also reveals that such giant response around this critical point is microscopically induced by field-induced percolation of polar nanoregions. Moreover, it is also found that, for any temperature above the critical point, the EC coefficient-versus-electric-field curve adopts a maximum (and thus larger electrocaloric response too), that can be well described by the general Landau-like model proposed by Jiang et al., [Phys. Rev. B 96, 014114 (2017)], 10.1103/PhysRevB.96.014114, and that is further correlated with specific microscopic features related to dipoles lying along different rhombohedral directions. Furthermore, for temperatures being at least 40 K higher than the critical temperature, the (electric field, temperature) line associated with this maximal EC coefficient is below both the Widom line and the line representing percolation of polar nanoregions.

Electromelting of confined monolayer ice.

PubMed

Qiu, Hu; Guo, Wanlin

2013-05-10

In sharp contrast to the prevailing view that electric fields promote water freezing, here we show by molecular dynamics simulations that monolayer ice confined between two parallel plates can melt into liquid water under a perpendicularly applied electric field. The melting temperature of the monolayer ice decreases with the increasing strength of the external field due to the field-induced disruption of the water-wall interaction induced well-ordered network of the hydrogen bond. This electromelting process should add an important new ingredient to the physics of water.

Four dimensional data assimilation (FDDA) impacts on WRF performance in simulating inversion layer structure and distributions of CMAQ-simulated winter ozone concentrations in Uintah Basin

NASA Astrophysics Data System (ADS)

Tran, Trang; Tran, Huy; Mansfield, Marc; Lyman, Seth; Crosman, Erik

2018-03-01

Four-dimensional data assimilation (FDDA) was applied in WRF-CMAQ model sensitivity tests to study the impact of observational and analysis nudging on model performance in simulating inversion layers and O3 concentration distributions within the Uintah Basin, Utah, U.S.A. in winter 2013. Observational nudging substantially improved WRF model performance in simulating surface wind fields, correcting a 10 °C warm surface temperature bias, correcting overestimation of the planetary boundary layer height (PBLH) and correcting underestimation of inversion strengths produced by regular WRF model physics without nudging. However, the combined effects of poor performance of WRF meteorological model physical parameterization schemes in simulating low clouds, and warm and moist biases in the temperature and moisture initialization and subsequent simulation fields, likely amplified the overestimation of warm clouds during inversion days when observational nudging was applied, impacting the resulting O3 photochemical formation in the chemistry model. To reduce the impact of a moist bias in the simulations on warm cloud formation, nudging with the analysis water mixing ratio above the planetary boundary layer (PBL) was applied. However, due to poor analysis vertical temperature profiles, applying analysis nudging also increased the errors in the modeled inversion layer vertical structure compared to observational nudging. Combining both observational and analysis nudging methods resulted in unrealistically extreme stratified stability that trapped pollutants at the lowest elevations at the center of the Uintah Basin and yielded the worst WRF performance in simulating inversion layer structure among the four sensitivity tests. The results of this study illustrate the importance of carefully considering the representativeness and quality of the observational and model analysis data sets when applying nudging techniques within stable PBLs, and the need to evaluate model results on a basin-wide scale.

Investigation of approximate models of experimental temperature characteristics of machines

NASA Astrophysics Data System (ADS)

Parfenov, I. V.; Polyakov, A. N.

2018-05-01

This work is devoted to the investigation of various approaches to the approximation of experimental data and the creation of simulation mathematical models of thermal processes in machines with the aim of finding ways to reduce the time of their field tests and reducing the temperature error of the treatments. The main methods of research which the authors used in this work are: the full-scale thermal testing of machines; realization of various approaches at approximation of experimental temperature characteristics of machine tools by polynomial models; analysis and evaluation of modelling results (model quality) of the temperature characteristics of machines and their derivatives up to the third order in time. As a result of the performed researches, rational methods, type, parameters and complexity of simulation mathematical models of thermal processes in machine tools are proposed.

Kinetic simulations of scrape-off layer physics in the DIII-D tokamak

DOE PAGES

Churchill, Randy M.; Canik, John M.; Chang, C. S.; ...

2016-12-27

Simulations using the fully kinetic code XGCa were undertaken to explore the impact of kinetic effects on scrape-off layer (SOL) physics in DIII-D H-mode plasmas. XGCa is a total- f, gyrokinetic code which self-consistently calculates the axisymmetric electrostatic potential and plasma dynamics, and includes modules for Monte Carlo neutral transport. Fluid simulations are normally used to simulate the SOL, due to its high collisionality. However, depending on plasma conditions, a number of discrepancies have been observed between experiment and leading SOL fluid codes (e.g. SOLPS), including underestimating outer target temperatures, radial electric field in the SOL, parallel ion SOL flowsmore » at the low field side, and impurity radiation. Many of these discrepancies may be linked to the fluid treatment, and might be resolved by including kinetic effects in SOL simulations. The XGCa simulation of the DIII-D tokamak in a nominally sheath-limited regime show many noteworthy features in the SOL. The density and ion temperature are higher at the low-field side, indicative of ion orbit loss. The SOL ion Mach flows are at experimentally relevant levels ( Mi ~0.5), with similar shapes and poloidal variation as observed in various tokamaks. Surprisingly, the ion Mach flows close to the sheath edge remain subsonic, in contrast to the typical fluid Bohm criterion requiring ion flows to be above sonic at the sheath edge. Related to this are the presence of elevated sheath potentials, eΔΦ/T e ~ 3–4, over most of the SOL, with regions in the near-SOL close to the separatrix having eΔΦ/Te > 4. Finally, these two results at the sheath edge are a consequence of non-Maxwellian features in the ions and electrons there.« less

Plasma and wave properties downstream of Martian bow shock: Hybrid simulations and MAVEN observations

NASA Astrophysics Data System (ADS)

Dong, Chuanfei; Winske, Dan; Cowee, Misa; Bougher, Stephen W.; Andersson, Laila; Connerney, Jack; Epley, Jared; Ergun, Robert; McFadden, James P.; Ma, Yingjuan; Toth, Gabor; Curry, Shannon; Nagy, Andrew; Jakosky, Bruce

2015-04-01

Two-dimensional hybrid simulation codes are employed to investigate the kinetic properties of plasmas and waves downstream of the Martian bow shock. The simulations are two-dimensional in space but three dimensional in field and velocity components. Simulations show that ion cyclotron waves are generated by temperature anisotropy resulting from the reflected protons around the Martian bow shock. These proton cyclotron waves could propagate downward into the Martian ionosphere and are expected to heat the O+ layer peaked from 250 to 300 km due to the wave-particle interaction. The proton cyclotron wave heating is anticipated to be a significant source of energy into the thermosphere, which impacts atmospheric escape rates. The simulation results show that the specific dayside heating altitude depends on the Martian crustal field orientations, solar cycles and seasonal variations since both the cyclotron resonance condition and the non/sub-resonant stochastic heating threshold depend on the ambient magnetic field strength. The dayside magnetic field profiles for different crustal field orientation, solar cycle and seasonal variations are adopted from the BATS-R-US Mars multi-fluid MHD model. The simulation results, however, show that the heating of O+ via proton cyclotron wave resonant interaction is not likely in the relatively weak crustal field region, based on our simplified model. This indicates that either the drift motion resulted from the transport of ionospheric O+, or the non/sub-resonant stochastic heating mechanism are important to explain the heating of Martian O+ layer. We will investigate this further by comparing the simulation results with the available MAVEN data. These simulated ion cyclotron waves are important to explain the heating of Martian O+ layer and have significant implications for future observations.

ReaxFF based molecular dynamics simulations of ignition front propagation in hydrocarbon/oxygen mixtures under high temperature and pressure conditions.

PubMed

Ashraf, Chowdhury; Jain, Abhishek; Xuan, Yuan; van Duin, Adri C T

2017-02-15

In this paper, we present the first atomistic-scale based method for calculating ignition front propagation speed and hypothesize that this quantity is related to laminar flame speed. This method is based on atomistic-level molecular dynamics (MD) simulations with the ReaxFF reactive force field. Results reported in this study are for supercritical (P = 55 MPa and T u = 1800 K) combustion of hydrocarbons as elevated pressure and temperature are required to accelerate the dynamics for reactive MD simulations. These simulations are performed for different types of hydrocarbons, including alkyne, alkane, and aromatic, and are able to successfully reproduce the experimental trend of reactivity of these hydrocarbons. Moreover, our results indicate that the ignition front propagation speed under supercritical conditions has a strong dependence on equivalence ratio, similar to experimentally measured flame speeds at lower temperatures and pressures which supports our hypothesis that ignition front speed is a related quantity to laminar flame speed. In addition, comparisons between results obtained from ReaxFF simulation and continuum simulations performed under similar conditions show good qualitative, and reasonable quantitative agreement. This demonstrates that ReaxFF based MD-simulations are a promising tool to study flame speed/ignition front speed in supercritical hydrocarbon combustion.

Scaled-down particle-in-cell simulation of cathode plasma expansion in magnetically insulated coaxial diode

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

Zhu, Danni; Zhang, Jun, E-mail: zhangjun@nudt.edu.cn; Zhong, Huihuang

2016-03-15

The expansion of cathode plasma in magnetically insulated coaxial diode (MICD) is investigated in theory and particle-in-cell (PIC) simulation. The temperature and density of the cathode plasma are about several eV and 10{sup 13}–10{sup 16 }cm{sup −3}, respectively, and its expansion velocity is of the level of few cm/μs. Through hydrodynamic theory analysis, expressions of expansion velocities in axial and radial directions are obtained. The characteristics of cathode plasma expansion have been simulated through scaled-down PIC models. Simulation results indicate that the expansion velocity is dominated by the ratio of plasma density other than the static electric field. The electric fieldmore » counteracts the plasma expansion reverse of it. The axial guiding magnetic field only reduces the radial transport coefficients by a correction factor, but not the axial ones. Both the outward and inward radial expansions of a MICD are suppressed by the much stronger guiding magnetic field and even cease.« less

Visual investigation on the heat dissipation process of a heat sink by using digital holographic interferometry

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

Wu, Bingjing; Zhao, Jianlin, E-mail: jlzhao@nwpu.edu.cn; Wang, Jun

2013-11-21

We present a method for visually and quantitatively investigating the heat dissipation process of plate-fin heat sinks by using digital holographic interferometry. A series of phase change maps reflecting the temperature distribution and variation trend of the air field surrounding heat sink during the heat dissipation process are numerically reconstructed based on double-exposure holographic interferometry. According to the phase unwrapping algorithm and the derived relationship between temperature and phase change of the detection beam, the full-field temperature distributions are quantitatively obtained with a reasonably high measurement accuracy. And then the impact of heat sink's channel width on the heat dissipationmore » performance in the case of natural convection is analyzed. In addition, a comparison between simulation and experiment results is given to verify the reliability of this method. The experiment results certify the feasibility and validity of the presented method in full-field, dynamical, and quantitative measurement of the air field temperature distribution, which provides a basis for analyzing the heat dissipation performance of plate-fin heat sinks.« less

Ajustement statistique des simulations climatiques : l'exemple des précipitations saisonnières de l'Amérique tropicaleStatistical adjustment of simulated climate: example of seasonal rainfall of tropical America.

NASA Astrophysics Data System (ADS)

Moron, Vincent; Navarra, Antonio

2000-05-01

This study presents the skill of the seasonal rainfall of tropical America from an ensemble of three 34-year general circulation model (ECHAM 4) simulations forced with observed sea surface temperature between 1961 and 1994. The skill gives a first idea of the amount of potential predictability if the sea surface temperatures are perfectly known some time in advance. We use statistical post-processing based on the leading modes (extracted from Singular Value Decomposition of the covariance matrix between observed and simulated rainfall fields) to improve the raw skill obtained by simple comparison between observations and simulations. It is shown that 36-55 % of the observed seasonal variability is explained by the simulations on a regional basis. Skill is greatest for Brazilian Nordeste (March-May), but also for northern South America or the Caribbean basin in June-September or northern Amazonia in September-November for example.

Numerical calculation on infrared characteristics of the special vehicle exhaust system

NASA Astrophysics Data System (ADS)

Feng, Yun-song; Li, Xiao-xia; Jin, Wei

2017-10-01

For mastery of infrared radiation characteristics and flow field of the special vehicle exhaust system, first, a physical model of the special vehicle exhaust system is established with the Gambit, and the mathematical model of flow field is determined. Secondly, software Fluent6.3 is used to simulated the 3-D exterior flow field of the special vehicle exhaust system, and the datum of flow field, such as temperature, pressure and density, are obtained. Thirdly, based on the plume temperature, the special vehicle exhaust space is divided. The exhaust is equivalent to a gray-body. A calculating model of the vehicle exhaust infrared radiation is established, and the exhaust infrared radiation characteristics are calculated by the software MATLAB, then the spatial distribution curves are drawn. Finally, the numerical results are analyzing, and the basic laws of the special vehicle exhaust infrared radiation are explored. The results show that with the increase of the engine speed, the temperature of the exhaust pipe wall of the special vehicle increases, and the temperature and pressure of the exhaust gas flow field increase, which leads to the enhancement of the infrared radiation intensity

Mathematical model of cycad cones' thermogenic temperature responses: inverse calorimetry to estimate metabolic heating rates.

PubMed

Roemer, R B; Booth, D; Bhavsar, A A; Walter, G H; Terry, L I

2012-12-21

A mathematical model based on conservation of energy has been developed and used to simulate the temperature responses of cones of the Australian cycads Macrozamia lucida and Macrozamia. macleayi during their daily thermogenic cycle. These cones generate diel midday thermogenic temperature increases as large as 12 °C above ambient during their approximately two week pollination period. The cone temperature response model is shown to accurately predict the cones' temperatures over multiple days as based on simulations of experimental results from 28 thermogenic events from 3 different cones, each simulated for either 9 or 10 sequential days. The verified model is then used as the foundation of a new, parameter estimation based technique (termed inverse calorimetry) that estimates the cones' daily metabolic heating rates from temperature measurements alone. The inverse calorimetry technique's predictions of the major features of the cones' thermogenic metabolism compare favorably with the estimates from conventional respirometry (indirect calorimetry). Because the new technique uses only temperature measurements, and does not require measurements of oxygen consumption, it provides a simple, inexpensive and portable complement to conventional respirometry for estimating metabolic heating rates. It thus provides an additional tool to facilitate field and laboratory investigations of the bio-physics of thermogenic plants. Copyright © 2012 Elsevier Ltd. All rights reserved.

Investigation of silicide-induced-dopant-activation for steep tunnel junction in tunnel field effect transistor (TFET)

NASA Astrophysics Data System (ADS)

Kim, Sihyun; Kwon, Dae Woong; Park, Euyhwan; Lee, Junil; Lee, Roongbin; Lee, Jong-Ho; Park, Byung-Gook

2018-02-01

Numerous researches for making steep tunnel junction within tunnel field-effect transistor (TFET) have been conducted. One of the ways to make an abrupt junction is source/drain silicidation, which uses the phenomenon often called silicide-induced-dopant-segregation. It is revealed that the silicide process not only helps dopants to pile up adjacent to the metal-silicon alloy, also induces the dopant activation, thereby making it possible to avoid additional high temperature process. In this report, the availability of dopant activation induced by metal silicide process was thoroughly investigated by diode measurement and device simulation. Metal-silicon (MS) diodes having p+ and n+ silicon formed on the p- substrate exhibit the characteristics of ohmic and pn diodes respectively, for both the samples with and without high temperature annealing. The device simulation for TFETs with dopant-segregated source was also conducted, which verified enhanced DC performance.

Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution.

PubMed

Starovoytov, Oleg N; Borodin, Oleg; Bedrov, Dmitry; Smith, Grant D

2011-06-14

We have developed a quantum chemistry-based polarizable potential for poly(ethylene oxide) (PEO) in aqueous solution based on the APPLE&P polarizable ether and the SWM4-DP polarizable water models. Ether-water interactions were parametrized to reproduce the binding energy of water with 1,2-dimethoxyethane (DME) determined from high-level quantum chemistry calculations. Simulations of DME-water and PEO-water solutions at room temperature using the new polarizable potentials yielded thermodynamic properties in good agreement with experimental results. The predicted miscibility of PEO and water as a function of the temperature was found to be strongly correlated with the predicted free energy of solvation of DME. The developed nonbonded force field parameters were found to be transferrable to poly(propylene oxide) (PPO), as confirmed by capturing, at least qualitatively, the miscibility of PPO in water as a function of the molecular weight.

Joule heating effects on particle immobilization in insulator-based dielectrophoretic devices.

PubMed

Gallo-Villanueva, Roberto C; Sano, Michael B; Lapizco-Encinas, Blanca H; Davalos, Rafael V

2014-02-01

In this work, the temperature effects due to Joule heating obtained by application of a direct current electric potential were investigated for a microchannel with cylindrical insulating posts employed for insulator-based dielectrophoresis. The conductivity of the suspending medium, the local electric field, and the gradient of the squared electric field, which directly affect the magnitude of the dielectrophoretic force exerted on particles, were computationally simulated employing COMSOL Multiphysics. It was observed that a temperature gradient is formed along the microchannel, which redistributes the conductivity of the suspending medium leading to an increase of the dielectrophoretic force toward the inlet of the channel while decreasing toward the outlet. Experimental results are in good agreement with simulations on the particle-trapping zones anticipated. This study demonstrates the importance of considering Joule heating effects when designing insulator-based dielectrophoresis systems. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Numerical simulation of heat transfer and fluid flow in laser drilling of metals

NASA Astrophysics Data System (ADS)

Zhang, Tingzhong; Ni, Chenyin; Zhou, Jie; Zhang, Hongchao; Shen, Zhonghua; Ni, Xiaowu; Lu, Jian

2015-05-01

Laser processing as laser drilling, laser welding and laser cutting, etc. is rather important in modern manufacture, and the interaction of laser and matter is a complex phenomenon which should be detailed studied in order to increase the manufacture efficiency and quality. In this paper, a two-dimensional transient numerical model was developed to study the temperature field and molten pool size during pulsed laser keyhole drilling. The volume-of-fluid method was employed to track free surfaces, and melting and evaporation enthalpy, recoil pressure, surface tension, and energy loss due to evaporating materials were considered in this model. Besides, the enthalpy-porosity technique was also applied to account for the latent heat during melting and solidification. Temperature fields and melt pool size were numerically simulated via finite element method. Moreover, the effectiveness of the developed computational procedure had been confirmed by experiments.

Accuracy of user-friendly blood typing kits tested under simulated military field conditions.

PubMed

Bienek, Diane R; Charlton, David G

2011-04-01

Rapid user-friendly ABO-Rh blood typing kits (Eldon Home Kit 2511, ABO-Rh Combination Blood Typing Experiment Kit) were evaluated to determine their accuracy when used under simulated military field conditions and after long-term storage at various temperatures and humidities. Rates of positive tests between control groups, experimental groups, and industry standards were measured and analyzed using the Fisher's exact chi-square method to identify significant differences (p < or = 0.05). When Eldon Home Kits 2511 were used in various operational conditions, the results were comparable to those obtained with the control group and with the industry standard. The performance of the ABO-Rh Combination Blood Typing Experiment Kit was adversely affected by prolonged storage in temperatures above 37 degrees C. The diagnostic performance of commercial blood typing kits varies according to product and environmental storage conditions.

Numerical simulation of forced convection in a duct subjected to microwave heating

NASA Astrophysics Data System (ADS)

Zhu, J.; Kuznetsov, A. V.; Sandeep, K. P.

2007-01-01

In this paper, forced convection in a rectangular duct subjected to microwave heating is investigated. Three types of non-Newtonian liquids flowing through the duct are considered, specifically, apple sauce, skim milk, and tomato sauce. A finite difference time domain method is used to solve Maxwell’s equations simulating the electromagnetic field. The three-dimensional temperature field is determined by solving the coupled momentum, energy, and Maxwell’s equations. Numerical results show that the heating pattern strongly depends on the dielectric properties of the fluid in the duct and the geometry of the microwave heating system.

Characterization of the thermal structure inside an urban canyon: field measurements and validation of a simple model

NASA Astrophysics Data System (ADS)

Giovannini, Lorenzo; Zardi, Dino; de Franceschi, Massimiliano

2013-04-01

The results of measurement campaigns are analyzed to investigate the thermal structure in an urban canyon, and to validate a simplified model simulating the air and surface temperatures from surface energy budgets. Starting from measurements at roof-top level, the model provides time series of air and surface temperatures, as well as surface fluxes. Two campaigns were carried out in summer 2007 and in winter 2008/09 in a street of the city of Trento (Italy). Temperature sensors were placed at various levels near the walls flanking the canyon and on a traffic light in the street center. Furthermore, the atmosphere above the mean roof-top level was monitored by a weather station on top of a tower located nearby. Air temperatures near the walls, being strongly influenced by direct solar radiation, display considerable contrasts between the opposite sides of the canyon. On the other hand, when solar radiation is weak or absent, the temperature field remains rather homogeneous.Moreover, air temperature inside the canyon is generally higher than above roof level, with larger differences during summertime. Air temperatures from the above street measurements are well simulated by the model in both seasons. Furthermore, the modeled surface temperatures are tested against a dataset of wall surface temperatures from the Advanced Tools for Rational Energy Use Towards Sustainability-Photocatalytic Innovative Coverings Applications for Depollution (ATREUS-PICADA) experiment, and a very good agreement is found. Results suggest that themodel is a reliable and convenient tool for simplified assessment of climatic conditions occurring in urban canyons under various weather situations.

Coupling the WRF model with a temperature index model based on remote sensing for snowmelt simulations in a river basin in the Altay Mountains, northwest China

NASA Astrophysics Data System (ADS)

Wu, X.; Shen, Y.; Wang, N.; Pan, X.; Zhang, W.; He, J.; Wang, G.

2017-12-01

Snowmelt water is an important freshwater resource in the Altay Mountains in northwest China, and it is also crucial for local ecological system, economic and social sustainable development; however, warming climate and rapid spring snowmelt can cause floods that endanger both eco-environment and public and personal property and safety. This study simulates snowmelt in the Kayiertesi River catchment using a temperature-index model based on remote sensing coupled with high-resolution meteorological data obtained from NCEP reanalysis fields that were downscaled using Weather Research Forecasting model, then bias-corrected using a statistical downscaled model. Validation of the forcing data revealed that the high-resolution meteorological fields derived from downscaled NCEP reanalysis were reliable for driving the snowmelt model. Parameters of temperature-index model based on remote sensing were calibrated for spring 2014, and model performance was validated using MODIS snow cover and snow observations from spring 2012. The results show that the temperature-index model based on remote sensing performed well, with a simulation mean relative error of 6.7% and a Nash-Sutchliffe efficiency of 0.98 in spring 2012 in the river of Altay Mountains. Based on the reliable distributed snow water equivalent simulation, daily snowmelt runoff was calculated for spring 2012 in the basin. In the study catchment, spring snowmelt runoff accounts for 72% of spring runoff and 21% of annual runoff. Snowmelt is the main source of runoff for the catchment and should be managed and utilized effectively. The results provide a basis for snowmelt runoff predictions, so as to prevent snowmelt-induced floods, and also provide a generalizable approach that can be applied to other remote locations where high-density, long-term observational data is lacking.

Numerical simulation of the effect of groundwater salinity on artificial freezing wall in coastal area

NASA Astrophysics Data System (ADS)

Hu, Rui; Liu, Quan

2017-04-01

During the engineering projects with artificial ground freezing (AFG) techniques in coastal area, the freezing effect is affected by groundwater salinity. Based on the theories of artificially frozen soil and heat transfer in porous material, and with the assumption that only the variations of total dissolved solids (TDS) impact on freezing point and thermal conductivity, a numerical model of an AFG project in a saline aquifer was established and validated by comparing the simulated temperature field with the calculated temperature based on the analytic solution of rupak (reference) for single-pipe freezing temperature field T. The formation and development of freezing wall were simulated with various TDS. The results showed that the variety of TDS caused the larger temperature difference near the frozen front. With increasing TDS in the saline aquifer (1 35g/L), the average thickness of freezing wall decreased linearly and the total formation time of the freezing wall increased linearly. Compared with of the scenario of fresh-water (<1g/L), the average thickness of frozen wall decreased by 6% and the total formation time of the freezing wall increased by 8% with each increasing TDS of 7g/L. Key words: total dissolved solids, freezing point, thermal conductivity, freezing wall, numerical simulation Reference D.J.Pringel, H.Eicken, H.J.Trodahl, etc. Thermal conductivity of landfast Antarctic and Arctic sea ice[J]. Journal of Geophysical Research, 2007, 112: 1-13. Lukas U.Arenson, Dave C.Sego. The effect of salinity on the freezing of coarse- grained sand[J]. Canadian Geotechnical Journal, 2006, 43: 325-337. Hui Bing, Wei Ma. Laboratory investigation of the freezing point of saline soil[J]. Cold Regions Science and Technology, 2011, 67: 79-88.

Numerical study of radiation effect on the municipal solid waste combustion characteristics inside an incinerator

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

Wang, Jingfu, E-mail: jfwang@bjut.edu.cn; Xue, Yanqing; Zhang, Xinxin

Highlights: • A 3-D model for the MSW incinerator with preheated air was developed. • Gas radiative properties were obtained from a statistical narrow-band model. • Non-gray body radiation model can provide more accurate simulation results. - Abstract: Due to its advantages of high degree volume reduction, relatively stable residue, and energy reclamation, incineration becomes one of the best choices for Municipal Solid Waste (MSW) disposal. However, detailed measurements of temperature and gas species inside a furnace are difficulty by conventional experimental techniques. Therefore, numerical simulation of MSW incineration in the packed bed and gas flow field was applied. Inmore » this work, a three dimensional (3-D) model of incinerator system, including flow, heat transfer, detailed chemical mechanisms, and non-gray gas models, was developed. Radiation from the furnace wall and the flame formed above the bed is of importance for drying and igniting the waste. The preheated air with high temperature is used for the MSW combustion. Under the conditions of high temperature and high pressure, MSW combustion produces a variety of radiating gases. The wavelength-depend radiative properties of flame adopted in non-gray radiation model were obtained from a statistical narrow-band model. The influence of radiative heat transfer on temperature, flow field is researched by adiabatic model (without considering radiation), gray radiation model, and non-gray radiation model. The simulation results show that taking into account the non-gray radiation is essential.« less

From Modeling of Plasticity in Single-Crystal Superalloys to High-Resolution X-rays Three-Crystal Diffractometer Peaks Simulation

NASA Astrophysics Data System (ADS)

Jacques, Alain

2016-12-01

The dislocation-based modeling of the high-temperature creep of two-phased single-crystal superalloys requires input data beyond strain vs time curves. This may be obtained by use of in situ experiments combining high-temperature creep tests with high-resolution synchrotron three-crystal diffractometry. Such tests give access to changes in phase volume fractions and to the average components of the stress tensor in each phase as well as the plastic strain of each phase. Further progress may be obtained by a new method making intensive use of the Fast Fourier Transform, and first modeling the behavior of a representative volume of material (stress fields, plastic strain, dislocation densities…), then simulating directly the corresponding diffraction peaks, taking into account the displacement field within the material, chemical variations, and beam coherence. Initial tests indicate that the simulated peak shapes are close to the experimental ones and are quite sensitive to the details of the microstructure and to dislocation densities at interfaces and within the soft γ phase.

Thermal investigation of an internally cooled strut injector for scramjet application at moderate and hot gas conditions

NASA Astrophysics Data System (ADS)

Dröske, Nils C.; Förster, Felix J.; Weigand, Bernhard; von Wolfersdorf, Jens

2017-03-01

In this paper, we present a combined experimental and numerical approach to assess the thermal loads and the cooling mechanism of an internally cooled strut injector for a supersonic combustion ramjet. Infrared measurements of the injector surface are conducted at a moderate external flow temperature. In addition, the main flow field is investigated with the LITA technique. Main features of the cooling mechanism are identified based on experimental data. However, a full evaluation can only be obtained using a complex, conjugate CFD simulation, which couples the external and internal flow fields to the heat conduction inside the injector body. Furthermore, numerical simulations are also presented for hot gas conditions corresponding to combustion experiments. Both hydrogen, which would be used as fuel for flight tests, and air are considered as coolants. While the main features of the cooling mechanism will be shown to remain unchanged, the combustor wall temperature is found to have a significant influence on the cooling. This emphasizes the importance and the usefulness of such complex conjugate numerical simulations.

Temperature-dependent thermal conductivities of one-dimensional nonlinear Klein-Gordon lattices with a soft on-site potential

NASA Astrophysics Data System (ADS)

Yang, Linlin; Li, Nianbei; Li, Baowen

2014-12-01

The temperature-dependent thermal conductivities of one-dimensional nonlinear Klein-Gordon lattices with soft on-site potential (soft-KG) are investigated systematically. Similarly to the previously studied hard-KG lattices, the existence of renormalized phonons is also confirmed in soft-KG lattices. In particular, the temperature dependence of the renormalized phonon frequency predicted by a classical field theory is verified by detailed numerical simulations. However, the thermal conductivities of soft-KG lattices exhibit the opposite trend in temperature dependence in comparison with those of hard-KG lattices. The interesting thing is that the temperature-dependent thermal conductivities of both soft- and hard-KG lattices can be interpreted in the same framework of effective phonon theory. According to the effective phonon theory, the exponents of the power-law dependence of the thermal conductivities as a function of temperature are only determined by the exponents of the soft or hard on-site potentials. These theoretical predictions are consistently verified very well by extensive numerical simulations.

Fully kinetic Biermann battery and associated generation of pressure anisotropy

NASA Astrophysics Data System (ADS)

Schoeffler, K. M.; Loureiro, N. F.; Silva, L. O.

2018-03-01

The dynamical evolution of a fully kinetic, collisionless system with imposed background density and temperature gradients is investigated analytically. The temperature gradient leads to the generation of temperature anisotropy, with the temperature along the gradient becoming larger than that in the direction perpendicular to it. This causes the system to become unstable to pressure anisotropy driven instabilities, dominantly to the electron Weibel instability. When both density and temperature gradients are present and nonparallel to each other, we obtain a Biermann-like linear-in-time magnetic field growth. Accompanying particle-in-cell numerical simulations are shown to confirm our analytical results.

Nonlinear temperature compensation of fluxgate magnetometers with a least-squares support vector machine

NASA Astrophysics Data System (ADS)

Pang, Hongfeng; Chen, Dixiang; Pan, Mengchun; Luo, Shitu; Zhang, Qi; Luo, Feilu

2012-02-01

Fluxgate magnetometers are widely used for magnetic field measurement. However, their accuracy is influenced by temperature. In this paper, a new method was proposed to compensate the temperature drift of fluxgate magnetometers, in which a least-squares support vector machine (LSSVM) is utilized. The compensation performance was analyzed by simulation, which shows that the LSSVM has better performance and less training time than backpropagation and radical basis function neural networks. The temperature characteristics of a DM fluxgate magnetometer were measured with a temperature experiment box. Forty-five measured data under different magnetic fields and temperatures were obtained and divided into 36 training data and nine test data. The training data were used to obtain the parameters of the LSSVM model, and the compensation performance of the LSSVM model was verified by the test data. Experimental results show that the temperature drift of magnetometer is reduced from 109.3 to 3.3 nT after compensation, which suggests that this compensation method is effective for the accuracy improvement of fluxgate magnetometers.

Surface temperature dataset for North America obtained by application of optimal interpolation algorithm merging tree-ring chronologies and climate model output

NASA Astrophysics Data System (ADS)

Chen, Xin; Xing, Pei; Luo, Yong; Nie, Suping; Zhao, Zongci; Huang, Jianbin; Wang, Shaowu; Tian, Qinhua

2017-02-01

A new dataset of surface temperature over North America has been constructed by merging climate model results and empirical tree-ring data through the application of an optimal interpolation algorithm. Errors of both the Community Climate System Model version 4 (CCSM4) simulation and the tree-ring reconstruction were considered to optimize the combination of the two elements. Variance matching was used to reconstruct the surface temperature series. The model simulation provided the background field, and the error covariance matrix was estimated statistically using samples from the simulation results with a running 31-year window for each grid. Thus, the merging process could continue with a time-varying gain matrix. This merging method (MM) was tested using two types of experiment, and the results indicated that the standard deviation of errors was about 0.4 °C lower than the tree-ring reconstructions and about 0.5 °C lower than the model simulation. Because of internal variabilities and uncertainties in the external forcing data, the simulated decadal warm-cool periods were readjusted by the MM such that the decadal variability was more reliable (e.g., the 1940-1960s cooling). During the two centuries (1601-1800 AD) of the preindustrial period, the MM results revealed a compromised spatial pattern of the linear trend of surface temperature, which is in accordance with the phase transition of the Pacific decadal oscillation and Atlantic multidecadal oscillation. Compared with pure CCSM4 simulations, it was demonstrated that the MM brought a significant improvement to the decadal variability of the gridded temperature via the merging of temperature-sensitive tree-ring records.

Monthly mean forecast experiments with the GISS model

NASA Technical Reports Server (NTRS)

Spar, J.; Atlas, R. M.; Kuo, E.

1976-01-01

The GISS general circulation model was used to compute global monthly mean forecasts for January 1973, 1974, and 1975 from initial conditions on the first day of each month and constant sea surface temperatures. Forecasts were evaluated in terms of global and hemispheric energetics, zonally averaged meridional and vertical profiles, forecast error statistics, and monthly mean synoptic fields. Although it generated a realistic mean meridional structure, the model did not adequately reproduce the observed interannual variations in the large scale monthly mean energetics and zonally averaged circulation. The monthly mean sea level pressure field was not predicted satisfactorily, but annual changes in the Icelandic low were simulated. The impact of temporal sea surface temperature variations on the forecasts was investigated by comparing two parallel forecasts for January 1974, one using climatological ocean temperatures and the other observed daily ocean temperatures. The use of daily updated sea surface temperatures produced no discernible beneficial effect.

A User-Friendly Software Package for HIFU Simulation

NASA Astrophysics Data System (ADS)

Soneson, Joshua E.

2009-04-01

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

Magnetization switching process in a torus nanoring with easy-plane surface anisotropy

NASA Astrophysics Data System (ADS)

Alzate-Cardona, J. D.; Sabogal-Suárez, D.; Restrepo-Parra, E.

2017-11-01

We have studied the effects of surface shape anisotropy in the magnetization behavior of a torus nanoring by means of Monte Carlo simulations. Stable states (vortex and reverse vortex states) and metastable states (onion and asymmetric onion states) were found in the torus nanoring. The probability of occurrence of the metastable states (stable states) tends to decrease (increase) as the amount of Monte Carlo steps per spin, temperature steps and negative values of the anisotropy constant increase. We evaluated under which conditions it is possible to switch the magnetic state of the torus nanoring from a vortex to a reverse vortex state by applying a circular magnetic field at certain temperature interval. The switching probability (from a vortex to a reverse vortex state) depends on the value of the current intensity, which generates the circular magnetic field, and the temperature interval where the magnetic field is applied. There is a linear relationship between the current intensity and the minimum temperature interval above which the vortex state can be switched.

Magnetization reversal in Py/Gd heterostructures

DOE PAGES

Lapa, Pavel N.; Ding, Junjia; Pearson, John E.; ...

2017-07-13

Here, using a combination of magnetometry and magnetotransport techniques, we studied temperature and magnetic-field behavior of magnetization in Py/Gd heterostructures. It was shown quantitatively that proximity with Py enhances magnetic order of Gd. Micromagnetic simulations demonstrate that a spin-flop transition observed in a Py/Gd bilayer is due to exchange-spring rotation of magnetization in the Gd layer. Transport measurements show that the magnetoresistance of a [Py(2nm)/Gd(2nm)] 25 multilayer changes sign at the compensation temperature and below 20 K. The positive magnetoresistance above the compensation temperature can be attributed to an in-plane domain wall, which appears because of the structural inhomogeneity ofmore » the film over its thickness. By measuring the angular dependence of resistance, we are able to determine the angle between magnetizations in the multilayer and the magnetic field at different temperatures. The measurements reveal that, due to a change in the chemical thickness profile, a noncollinear magnetization configuration is only stable in magnetic fields above 10 kOe.« less

Magnetization reversal in Py/Gd heterostructures

NASA Astrophysics Data System (ADS)

Lapa, Pavel N.; Ding, Junjia; Pearson, John E.; Novosad, Valentine; Jiang, J. S.; Hoffmann, Axel

2017-07-01

Using a combination of magnetometry and magnetotransport techniques, we studied temperature and magnetic-field behavior of magnetization in Py/Gd heterostructures. It was shown quantitatively that proximity with Py enhances magnetic order of Gd. Micromagnetic simulations demonstrate that a spin-flop transition observed in a Py/Gd bilayer is due to exchange-spring rotation of magnetization in the Gd layer. Transport measurements show that the magnetoresistance of a [Py(2 nm ) /Gd (2 nm ) ] 25 multilayer changes sign at the compensation temperature and below 20 K. The positive magnetoresistance above the compensation temperature can be attributed to an in-plane domain wall, which appears because of the structural inhomogeneity of the film over its thickness. By measuring the angular dependence of resistance, we are able to determine the angle between magnetizations in the multilayer and the magnetic field at different temperatures. The measurements reveal that, due to a change in the chemical thickness profile, a noncollinear magnetization configuration is only stable in magnetic fields above 10 kOe.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Preliminary simulation study on regional climate change in Xinjiang, China

NASA Astrophysics Data System (ADS)

Yuan, Chunqiong; Guo, Qingyu; Xie, Hongbing; Pan, Xiaoling; Anabiek, Subai

2004-01-01

Under the conditions of global warming, the degenerated ecological environment has threatened human survival. Therefore, people will gradually pay more attention to the environmental problem of climate change. This paper analyzes the distribution features of air temperature, relative humidity (precipitation), and the horizontal stream field in Xinjiang for July 1997. In order to do the integration of one month (July, 1997) we ran the model NCAP/PENN MM5V3. Data from WLCCD (the latest World Land Cover Characteristics Database) was used to relate the two research domains of the model, and also to replace the vegetation in the MM5. The data in the WWLCD depends on the actual land surface characteristics. It was found that the general law of air temperature, relative humidity (precipitation) and the horizontal stream field of 1000hPa in Xinjiang in July of 1997 by means of the model. The mean regional data for July helped prefect the theory that humans are controlling the ecological environment in order to prevent and control desertification. Among these results, the simulated air temperature was the best.

On a nonlinear state of the electromagnetic ion/ion cyclotron instability

NASA Astrophysics Data System (ADS)

Cremer, M.; Scholer, M.

We have investigated the nonlinear properties of the electromagnetic ion/ion cyclotron instability (EMIIC) by means of hybrid simulations (macroparticle ions, massless electron fluid). The instability is driven by the relative (super-Alfvénic) streaming of two field-aligned ion beams in a low beta plasma (ion thermal pressure to magnetic field pressure) and may be of importance in the plasma sheet boundary layer. As shown in previously reported simulations the waves propagate obliquely to the magnetic field and heat the ions in the perpendicular direction as the relative beam velocity decreases. By running the simulation to large times it can be shown that the large temperature anisotropy leads to the ion cyclotron instability (IC) with parallel propagating Alfvén ion cyclotron waves. This is confirmed by numerically solving the electromagnetic dispersion relation. An application of this property to the plasma sheet boundary layer is discussed.

Numerical simulation of temperature and pressure fields in CdTe growth experiment in the Material Science Laboratory (MSL) onboard the International Space Station in relation to dewetting

NASA Astrophysics Data System (ADS)

Sylla, Lamine; Duffar, Thierry

2007-05-01

A global thermal modelling of a cadmium telluride (CdTe) space experiment has been performed to determine the temperature field within the sample cartridge assembly of the Material Science Laboratory-low gradient furnace (MSL-LGF) apparatus. Heat transfer and phase change have been treated with a commercial CFD software based on a control volume technique. This work underlines the difficult compromise between enhancing the crystal quality and the occurrence of the dewetting phenomenon when using a Cd overpressure or inert gas in the ampoule.

Evaluation of the thermal structure in an urban street canyon: field measurements and model simulation

NASA Astrophysics Data System (ADS)

Giovannini, L.; de Franceschi, M.; Zardi, D.

2009-04-01

The results of a research project, aiming at providing tools and criteria to evaluate the temperature field inside an urban street canyon, are presented. Temperature measurements have been carried out, both in summertime and in wintertime, inside a North-South oriented urban canyon in the city of Trento (Italy) in the Alps, with sensors placed at various heights on the front of buildings flanking the street and on top of traffic lights in the middle of the canyon. The results have been analyzed in comparison with data from an automated weather station placed close to the street canyon, at 33 m above ground level and taken as a reference for the above roof-top level. During sunny days a well defined cycle was identified in the daily evolution of air temperature measured by the sensors inside the urban canyon, which was primarily influenced by direct solar radiation. As expected, during the morning the East-facing sensors warmed up faster than the other ones, while in the afternoon the West-facing instruments were the warmest. In most cases the air temperature inside the canyon was higher than above roof level, with differences depending on weather conditions and hour of the day. The dataset allowed to characterize the microclimate of the urban canopy layer and provided a basis for testing the ability of a simple numerical model to simulate the thermal structure inside the urban canyon. The model displays the following characteristics: assignment of distinct surface types (road, walls and roofs), in order to better simulate their physical properties; computation of radiative exchanges inside the canyon based on view factors between the different surfaces and explicitly treating both the solar reflections and the shadows; storage heat flux simulated by means of the heat conduction equation. The model requires as input the geometry parameters of the street and the values of meteorological variables measured above roof level. The main outputs are the heat fluxes determined by the surface energy balance (road, building fronts), the surface temperatures and the average air temperature inside the urban canyon. The comparison between the results of the model and the measurements made during the field experiments displays a good agreement, with an average error of 0.3-0.4 °C on the evaluation of the mean air temperature inside the street canyon. This result is remarkable, especially considering the low level of complexity of the numerical code and the simplifying assumptions made.

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

PubMed

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

2014-09-20

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

Use of simulated satellite radiances from a mesoscale numerical model to understand kinematic and dynamic processes

NASA Technical Reports Server (NTRS)

Kalb, Michael; Robertson, Franklin; Jedlovec, Gary; Perkey, Donald

1987-01-01

Techniques by which mesoscale numerical weather prediction model output and radiative transfer codes are combined to simulate the radiance fields that a given passive temperature/moisture satellite sensor would see if viewing the evolving model atmosphere are introduced. The goals are to diagnose the dynamical atmospheric processes responsible for recurring patterns in observed satellite radiance fields, and to develop techniques to anticipate the ability of satellite sensor systems to depict atmospheric structures and provide information useful for numerical weather prediction (NWP). The concept of linking radiative transfer and dynamical NWP codes is demonstrated with time sequences of simulated radiance imagery in the 24 TIROS vertical sounder channels derived from model integrations for March 6, 1982.

Modifiying shallow-water equations as a model for wave-vortex turbulence

NASA Astrophysics Data System (ADS)

Mohanan, A. V.; Augier, P.; Lindborg, E.

2017-12-01

The one-layer shallow-water equations is a simple two-dimensional model to study the complex dynamics of the oceans and the atmosphere. We carry out forced-dissipative numerical simulations, either by forcing medium-scale wave modes, or by injecting available potential energy (APE). With pure wave forcing in non-rotating cases, a statistically stationary regime is obtained for a range of forcing Froude numbers Ff = ɛ /(kf c), where ɛ is the energy dissipation rate, kf the forcing wavenumber and c the wave speed. Interestingly, the spectra scale as k-2 and third and higher order structure functions scale as r. Such statistics is a manifestation of shock turbulence or Burgulence, which dominate the flow. Rotating cases exhibit some inverse energy cascade, along with a stronger forward energy cascade, dominated by wave-wave interactions. We also propose two modifications to the classical shallow-water equations to construct a toy model. The properties of the model are explored by forcing in APE at a small and a medium wavenumber. The toy model simulations are then compared with results from shallow-water equations and a full General Circulation Model (GCM) simulation. The most distinctive feature of this model is that, unlike shallow-water equations, it avoids shocks and conserves quadratic energy. In Fig. 1, for the shallow-water equations, shocks appear as thin dark lines in the divergence (∇ .{u}) field, and as discontinuities in potential temperature (θ ) field; whereas only waves appear in the corresponding fields from toy model simulation. Forward energy cascade results in a wave field with k-5/3 spectrum, along with equipartition of KE and APE at small scales. The vortical field develops into a k-3 spectrum. With medium forcing wavenumber, at large scales, energy converted from APE to KE undergoes inverse cascade as a result of nonlinear fluxes composed of vortical modes alone. Gradually, coherent vortices emerge with a strong preference for anticyclonic motion. The model can serve as a closer representation of real geophysical turbulence than the classical shallow-water equations. Fig 1. Divergence and potential temperature fields of shallow-water (top row) and toy model (bottom row) simulations.

Temperature-and field dependent characterization of a twisted stacked-tape cable

NASA Astrophysics Data System (ADS)

Barth, C.; Takayasu, M.; Bagrets, N.; Bayer, C. M.; Weiss, K.-P.; Lange, C.

2015-04-01

The twisted stacked-tape cable (TSTC) is one of the major high temperature superconductor cable concepts combining scalability, ease of fabrication and high current density making it a possible candidate as conductor for large scale magnets. To simulate the boundary conditions of such a magnets as well as the temperature dependence of TSTCs a 1.16 m long sample consisting of 40, 4 mm wide SuperPower REBCO tapes is characterized using the ‘FBI’ (force-field-current) superconductor test facility of the Institute for Technical Physics of the Karlsruhe Institute of Technology. In a first step, the magnetic background field is cycled while measuring the current carrying capabilities to determine the impact of Lorentz forces on the TSTC sample performance. In the first field cycle, the critical current of the TSTC sample is tested up to 12 T. A significant Lorentz force of up to 65.6 kN m-1 at the maximal magnetic background field of 12 T result in a 11.8% irreversible degradation of the current carrying capabilities. The degradation saturates (critical cable current of 5.46 kA at 4.2 K and 12 T background field) and does not increase in following field cycles. In a second step, the sample is characterized at different background fields (4-12 T) and surface temperatures (4.2-37.8 K) utilizing the variable temperature insert of the ‘FBI’ test facility. In a third step, the performance along the length of the sample is determined at 77 K, self-field. A 15% degradation is obtained for the central part of the sample which was within the high field region of the magnet during the in-field measurements.

Effect of temperature on compact layer of Pt electrode in PEMFCs by first-principles molecular dynamics calculations

NASA Astrophysics Data System (ADS)

He, Yang; Chen, Changfeng; Yu, Haobo; Lu, Guiwu

2017-01-01

Formation of the double-layer electric field and capacitance of the water-metal interface is of significant interest in physicochemical processes. In this study, we perform first- principles molecular dynamics simulations on the water/Pt(111) interface to investigate the temperature dependence of the compact layer electric field and capacitance based on the calculated charge densities. On the Pt (111) surface, water molecules form ice-like structures that exhibit more disorder along the height direction with increasing temperature. The Osbnd H bonds of more water molecules point toward the Pt surface to form Ptsbnd H covalent bonds with increasing temperature, which weaken the corresponding Osbnd H bonds. In addition, our calculated capacitance at 300 K is 15.2 mF/cm2, which is in good agreement with the experimental results. As the temperature increases from 10 to 450 K, the field strength and capacitance of the compact layer on Pt (111) first increase and then decrease slightly, which is significant for understanding the water/Pt interface from atomic level.

Carbon isotope geochemistry of hydrocarbons in the Cerro Prieto geothermal field, Baja California Norte, Mexico

NASA Technical Reports Server (NTRS)

Des Marais, D. J.; Stallard, M. L.; Nehring, N. L.; Truesdell, A. H.

1988-01-01

Hydrocarbon abundances and stable-isotopic compositions were measured in wells M5, M26, M35 and M102, which represent a range of depths (1270-2000 m) and temperatures (275-330 degrees C) in the field. In order to simulate the production of the geothermal hydrocarbons, gases were collected from the pyrolysis of lignite in the laboratory. This lignite was obtained from a well which sampled rock strata which are identical to those occurring in the field, but which have experienced much lower subsurface temperatures. In both the well and the laboratory observations, high-temperature environments favored higher relative concentrations of methane, ethane and benzene and generally higher delta 13C-values in the individual hydrocarbons. The best correlation between the laboratory and well data is obtained when laboratory-produced gases from experiments conducted at lower (400 degrees C) and higher (600 degrees C) temperatures are mixed. This improved correlation suggests that the wells are sampling hydrocarbons produced from a spectrum of depths and temperatures in the sediments.

Indices of climate change based on patterns from CMIP5 models, and the range of projections

NASA Astrophysics Data System (ADS)

Watterson, I. G.

2018-05-01

Changes in temperature, precipitation, and other variables simulated by 40 current climate models for the 21st century are approximated as the product of the global mean warming and a spatial pattern of scaled changes. These fields of standardized change contain consistent features of simulated change, such as larger warming over land and increased high-latitude precipitation. However, they also differ across the ensemble, with standard deviations exceeding 0.2 for temperature over most continents, and 6% per degree for tropical precipitation. These variations are found to correlate, often strongly, with indices based on those of modes of interannual variability. Annular mode indices correlate, across the 40 models, with regional pressure changes and seasonal rainfall changes, particularly in South America and Europe. Equatorial ocean warming rates link to widespread anomalies, similarly to ENSO. A Pacific-Indian Dipole (PID) index representing the gradient in warming across the maritime continent is correlated with Australian rainfall with coefficient r of - 0.8. The component of equatorial warming orthogonal to this index, denoted EQN, has strong links to temperature and rainfall in Africa and the Americas. It is proposed that these indices and their associated patterns might be termed "modes of climate change". This is supported by an analysis of empirical orthogonal functions for the ensemble of standardized fields. Can such indices be used to help constrain projections? The relative similarity of the PID and EQN values of change, from models that have more skilful simulation of the present climate tropical pressure fields, provides a basis for this.

Exact Solution to Finite Temperature SFDM: Natural Cores without Feedback

NASA Astrophysics Data System (ADS)

Robles, Victor H.; Matos, T.

2013-01-01

Recent high-quality observations of low surface brightness (LSB) galaxies have shown that their dark matter (DM) halos prefer flat central density profiles. However, the standard cold dark matter model simulations predict a more cuspy behavior. One mechanism used to reconcile the simulations with the observed data is the feedback from star formation. While this mechanism may be successful in isolated dwarf galaxies, its success in LSB galaxies remains unclear. Additionally, the inclusion of too much feedback in the simulations is a double-edged sword—in order to obtain a cored DM distribution from an initially cuspy one, the feedback recipes usually require one to remove a large quantity of baryons from the center of the galaxies; however, some feedback recipes produce twice the number of satellite galaxies of a given luminosity and with much smaller mass-to-light ratios from those that are observed. Therefore, one DM profile that produces cores naturally and that does not require large amounts of feedback would be preferable. We find both requirements to be satisfied in the scalar field dark matter model. Here, we consider that DM is an auto-interacting real scalar field in a thermal bath at temperature T with an initial Z 2 symmetric potential. As the universe expands, the temperature drops so that the Z 2 symmetry is spontaneously broken and the field rolls down to a new minimum. We give an exact analytic solution to the Newtonian limit of this system, showing that it can satisfy the two desired requirements and that the rotation curve profile is no longer universal.

Modeling of asymmetric degradation based on a non-uniform electric field and temperature in amorphous In-Ga-Zn-O thin film transistors

NASA Astrophysics Data System (ADS)

In Kim, Jong; Jeong, Chan-Yong; Kwon, Hyuck-In; Jung, Keum Dong; Park, Mun Soo; Kim, Ki Hwan; Seo, Mi Seon; Lee, Jong-Ho

2017-03-01

We propose a new local degradation model based on a non-uniform increase in donor-like traps (DLTs) determined by distributions of an electric field and measured device temperature in amorphous In-Ga-Zn-O (a-IGZO) thin film transistors (TFTs). A systematic investigation of the degradation model reveals that vertical field-dependent DLTs are essential for modeling of measured asymmetric electrical characteristics between the source and drain after positive gate and drain bias stressing. An increased temperature due to self-heating is found to play a role in intensifying the asymmetric degradation. From the individual simulation of measured transfer curves at different stress times, the model parameters and an asymmetry index as a function of stress time are extracted. It is expected that this novel methodology will provide new insight into asymmetric degradation and be utilized to predict the influence of electric field and heat on degradation under various bias-stress conditions in a-IGZO TFTs.

CFD Modeling of Flow, Temperature, and Concentration Fields in a Pilot-Scale Rotary Hearth Furnace

NASA Astrophysics Data System (ADS)

Liu, Ying; Su, Fu-Yong; Wen, Zhi; Li, Zhi; Yong, Hai-Quan; Feng, Xiao-Hong

2014-01-01

A three-dimensional mathematical model for simulation of flow, temperature, and concentration fields in a pilot-scale rotary hearth furnace (RHF) has been developed using a commercial computational fluid dynamics software, FLUENT. The layer of composite pellets under the hearth is assumed to be a porous media layer with CO source and energy sink calculated by an independent mathematical model. User-defined functions are developed and linked to FLUENT to process the reduction process of the layer of composite pellets. The standard k-ɛ turbulence model in combination with standard wall functions is used for modeling of gas flow. Turbulence-chemistry interaction is taken into account through the eddy-dissipation model. The discrete ordinates model is used for modeling of radiative heat transfer. A comparison is made between the predictions of the present model and the data from a test of the pilot-scale RHF, and a reasonable agreement is found. Finally, flow field, temperature, and CO concentration fields in the furnace are investigated by the model.

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

NASA Astrophysics Data System (ADS)

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

2015-10-01

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

Influence of the mode of deformation on recrystallisation behaviour of titanium through experiments, mean field theory and phase field model

NASA Astrophysics Data System (ADS)

Athreya, C. N.; Mukilventhan, A.; Suwas, Satyam; Vedantam, Srikanth; Subramanya Sarma, V.

2018-04-01

The influence of the mode of deformation on recrystallisation behaviour of Ti was studied by experiments and modelling. Ti samples were deformed through torsion and rolling to the same equivalent strain of 0.5. The deformed samples were annealed at different temperatures for different time durations and the recrystallisation kinetics were compared. Recrystallisation is found to be faster in the rolled samples compared to the torsion deformed samples. This is attributed to the differences in stored energy and number of nuclei per unit area in the two modes of deformation. Considering decay in stored energy during recrystallisation, the grain boundary mobility was estimated through a mean field model. The activation energy for recrystallisation obtained from experiments matched with the activation energy for grain boundary migration obtained from mobility calculation. A multi-phase field model (with mobility estimated from the mean field model as a constitutive input) was used to simulate the kinetics, microstructure and texture evolution. The recrystallisation kinetics and grain size distributions obtained from experiments matched reasonably well with the phase field simulations. The recrystallisation texture predicted through phase field simulations compares well with experiments though few additional texture components are present in simulations. This is attributed to the anisotropy in grain boundary mobility, which is not accounted for in the present study.

Thermal magnetic resonance: physics considerations and electromagnetic field simulations up to 23.5 Tesla (1GHz).

PubMed

Winter, Lukas; Oezerdem, Celal; Hoffmann, Werner; van de Lindt, Tessa; Periquito, Joao; Ji, Yiyi; Ghadjar, Pirus; Budach, Volker; Wust, Peter; Niendorf, Thoralf

2015-09-22

Glioblastoma multiforme is the most common and most aggressive malign brain tumor. The 5-year survival rate after tumor resection and adjuvant chemoradiation is only 10 %, with almost all recurrences occurring in the initially treated site. Attempts to improve local control using a higher radiation dose were not successful so that alternative additive treatments are urgently needed. Given the strong rationale for hyperthermia as part of a multimodal treatment for patients with glioblastoma, non-invasive radio frequency (RF) hyperthermia might significantly improve treatment results. A non-invasive applicator was constructed utilizing the magnetic resonance (MR) spin excitation frequency for controlled RF hyperthermia and MR imaging in an integrated system, which we refer to as thermal MR. Applicator designs at RF frequencies 300 MHz, 500 MHz and 1GHz were investigated and examined for absolute applicable thermal dose and temperature hotspot size. Electromagnetic field (EMF) and temperature simulations were performed in human voxel models. RF heating experiments were conducted at 300 MHz and 500 MHz to characterize the applicator performance and validate the simulations. The feasibility of thermal MR was demonstrated at 7.0 T. The temperature could be increased by ~11 °C in 3 min in the center of a head sized phantom. Modification of the RF phases allowed steering of a temperature hotspot to a deliberately selected location. RF heating was monitored using the integrated system for MR thermometry and high spatial resolution MRI. EMF and thermal simulations demonstrated that local RF hyperthermia using the integrated system is feasible to reach a maximum temperature in the center of the human brain of 46.8 °C after 3 min of RF heating while surface temperatures stayed below 41 °C. Using higher RF frequencies reduces the size of the temperature hotspot significantly. The opportunities and capabilities of thermal magnetic resonance for RF hyperthermia interventions of intracranial lesions are intriguing. Employing such systems as an alternative additive treatment for glioblastoma multiforme might be able to improve local control by "fighting fire with fire". Interventions are not limited to the human brain and might include temperature driven targeted drug and MR contrast agent delivery and help to understand temperature dependent bio- and physiological processes in-vivo.

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.

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.

Real-data tests of a single-Doppler radar assimilation system

NASA Astrophysics Data System (ADS)

Nehrkorn, Thomas; Hegarty, James; Hamill, Thomas M.

1994-06-01

Real data tests of a single-Doppler radar data assimilation and forecast system have been conducted for a Florida sea breeze case. The system consists of a hydrostatic mesoscale model used for prediction of the preconvective boundary layer, an objective analysis that combines model first guess fields with radar derived horizontal winds, a thermodynamic retrieval scheme that obtains temperature information from the three-dimensional wind field and its temporal evolution, and a Newtonian nudging scheme for forcing the model forecast to closer agreement with the analysis. As was found in earlier experiments with simulated data, assimilation using Newtonian nudging benefits from temperature data in addition to wind data. The thermodynamic retrieval technique was successful in retrieving a horizontal temperature gradient from the radar-derived wind fields that, when assimilated into the model, led to a significantly improved forecast of the seabreeze strength and position.

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.

Interplay between protons and electrons in a firehose-unstable plasma: Particle-in-cell simulations

NASA Astrophysics Data System (ADS)

Bourdin, Philippe-A.; Maneva, Yana

2017-04-01

Kinetic plasma instabilities originating from unstable, non-Maxwellian shapes of the velocity distribution functions serve as internal degrees of freedom in plasma dynamics, and play an important role near solar current sheets and in solar wind plasmas. In the presence of strong temperature anisotropy (different thermal spreads in the velocity space with respect to the mean magnetic field), plasmas are unstable either to the firehose mode or to the mirror mode in the case of predominant parallel and perpendicular temperatures, respectively. The growth rates of these instabilities and their thresholds depend on plasma properties, such as the temperature anisotropy and the plasma beta. The physics of the temperature anisotropy-driven instabilities becomes even more diverse for various shapes of velocity distribution functions and the particle species of interest. Recent studies based on a linear instability analysis show an interplay in the firehose instability between protons and electrons when the both types of particle species are prone to unstable velocity distribution functions and their instability thresholds. In this work we perform for the first time 3D nonlinear PIC (particle-in-cell) numerical simulations to test for the linear-theory prediction of the simultaneous proton-electron firehose instability. The simulation setup allows us not only to evaluate the growth rate of each firehose instability, but also to track its nonlinear evolution and the related wave-particle interactions such as the pitch-angle scattering or saturation effects. The specialty of our simulation is that the magnetic and electric fields have a low numerical noise level by setting a sufficiently large number of super-particles into the simulation box and enhancing the statistical significance of the velocity distribution functions. We use the iPIC3D code with fully periodic boundaries under various conditions of the electron-to-proton mass ratio, which gives insight into the instability interplay at the intermediate electron-proton and on the scaling of our results towards more realistic particle settings.

Boundary layer analysis in turbulent Rayleigh-Bénard convection in air: experiment versus simulation.

PubMed

Li, Ling; Shi, Nan; du Puits, Ronald; Resagk, Christian; Schumacher, Jörg; Thess, André

2012-08-01

We report measurements and numerical simulations of the three-dimensional velocity and temperature fields in turbulent Rayleigh-Bénard convection in air. Highly resolved velocity and temperature measurements inside and outside the boundary layers have been directly compared with equivalent data obtained in direct numerical simulations (DNSs). This comparison comprises a set of two Rayleigh numbers at Ra=3×10(9) and 3×10(10) and a fixed aspect ratio; this is the ratio between the diameter and the height of the Rayleigh-Bénard cell of Γ=1. We find that the measured velocity data are in excellent agreement with the DNS results while the temperature data slightly differ. In particular, the measured mean temperature profile does not show the linear trend as seen in the DNS data, and the measured gradients at the wall are significantly higher than those obtained from the DNS. Both viscous and thermal boundary layer thickness scale with respect to the Rayleigh number as δ(v)~Ra(-0.24) and δ(θ)~Ra(-0.24), respectively.

Cluster Evolution at Early Stages of 1,3,5-Triamino-2,4,6-trinitrobenzene under Various Heating Conditions: A Molecular Reactive Force Field Study.

PubMed

Wen, Yushi; Xue, Xianggui; Long, Xinping; Zhang, Chaoyang

2016-06-09

We carried out reactive molecular dynamics simulations by ReaxFF to study the initial events of an insensitive high explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) against various thermal stimuli including constant-temperature heating, programmed heating, and adiabatic heating to simulate TATB suffering from accidental heating in reality. Cluster evolution at the early stage of the thermal decomposition of condensed TATB was the main focus as cluster formation primarily occurs when TATB is heated. The results show that cluster formation is the balance of the competition of intermolecular collision and molecular decomposition of TATB, that is, an appropriate temperature and certain duration are required for cluster formation and preservation. The temperature in the range of 2000-3000 K was found to be optimum for fast formation and a period of preservation. Besides, the intra- and intermolecular H transfers are always favorable, whereas the C-NO2 partition was favorable at high temperature. The simulation results are helpful to deepen the insight into the thermal properties of condensed TATB.

Topology of microwave background fluctuations - Theory

NASA Technical Reports Server (NTRS)

Gott, J. Richard, III; Park, Changbom; Bies, William E.; Bennett, David P.; Juszkiewicz, Roman

1990-01-01

Topological measures are used to characterize the microwave background temperature fluctuations produced by 'standard' scenarios (Gaussian) and by cosmic strings (non-Gaussian). Three topological quantities: total area of the excursion regions, total length, and total curvature (genus) of the isotemperature contours, are studied for simulated Gaussian microwave background anisotropy maps and then compared with those of the non-Gaussian anisotropy pattern produced by cosmic strings. In general, the temperature gradient field shows the non-Gaussian behavior of the string map more distinctively than the temperature field for all topology measures. The total contour length and the genus are found to be more sensitive to the existence of a stringy pattern than the usual temperature histogram. Situations when instrumental noise is superposed on the map, are considered to find the critical signal-to-noise ratio for which strings can be detected.

Molecular dynamics simulations of methane hydrate using polarizable force fields

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

Jiang, H.N.; Jordan, K.D.; Taylor, C.E.

2007-06-14

Molecular dynamics simulations of methane hydrate have been carried out using the polarizable AMOEBA and COS/G2 force fields. Properties calculated include the temperature dependence of the lattice constant, the OC and OO radial distribution functions, and the vibrational spectra. Both the AMOEBA and COS/G2 force fields are found to successfully account for the available experimental data, with overall somewhat better agreement with experiment being found for the AMOEBA model. Comparison is made with previous results obtained using TIP4P and SPC/E effective two-body force fields and the polarizable TIP4P-FQ force field, which allows for in-plane polarization only. Significant differences are foundmore » between the properties calculated using the TIP4P-FQ model and those obtained using the other models, indicating an inadequacy of restricting explicit polarization to in-plane onl« less

NOM degradation during river infiltration: effects of the climate variables temperature and discharge.

PubMed

Diem, Samuel; Rudolf von Rohr, Matthias; Hering, Janet G; Kohler, Hans-Peter E; Schirmer, Mario; von Gunten, Urs

2013-11-01

Most peri-alpine shallow aquifers fed by rivers are oxic and the drinking water derived by riverbank filtration is generally of excellent quality. However, observations during past heat waves suggest that water quality may be affected by climate change due to effects on redox processes such as aerobic respiration, denitrification, reductive dissolution of manganese(III/IV)- and iron(III)(hydr)oxides that occur during river infiltration. To assess the dependence of these redox processes on the climate-related variables temperature and discharge, we performed periodic and targeted (summer and winter) field sampling campaigns at the Thur River, Switzerland, and laboratory column experiments simulating the field conditions. Typical summer and winter field conditions could be successfully simulated by the column experiments. Dissolved organic matter (DOM) was found not to be a major electron donor for aerobic respiration in summer and the DOM consumption did not reveal a significant correlation with temperature and discharge. It is hypothesized that under summer conditions, organic matter associated with the aquifer material (particulate organic matter, POM) is responsible for most of the consumption of dissolved oxygen (DO), which was the most important electron acceptor in both the field and the column system. For typical summer conditions at temperatures >20 °C, complete depletion of DO was observed in the column system and in a piezometer located only a few metres from the river. Both in the field system and the column experiments, nitrate acted as a redox buffer preventing the release of manganese(II) and iron(II). For periodic field observations over five years, DO consumption showed a pronounced temperature dependence (correlation coefficient r = 0.74) and therefore a seasonal pattern, which seemed to be mostly explained by the temperature dependence of the calculated POM consumption (r = 0.7). The river discharge was found to be highly and positively correlated with DO consumption (r = 0.85), suggesting an enhanced POM input during flood events. This high correlation could only be observed for the low-temperature range (T < 15 °C). For temperatures >15 °C, DO consumption was already high (almost complete) and the impact of discharge could not be resolved. Based on our results, we estimate the risk for similar river-infiltration systems to release manganese(II) and iron(II) to be low during future average summer conditions. However, long-lasting heat waves might lead to a consumption of the nitrate buffer, inducing a mobilization of manganese and iron. Copyright © 2013 Elsevier Ltd. All rights reserved.

Solubility of NaCl in water by molecular simulation revisited.

PubMed

Aragones, J L; Sanz, E; Vega, C

2012-06-28

In this paper, the solubility of NaCl in water is evaluated by using computer simulations for three different force fields. The condition of chemical equilibrium (i.e., equal chemical potential of the salt in the solid and in the solution) is obtained at room temperature and pressure to determine the solubility of the salt. We used the same methodology that was described in our previous work [E. Sanz and C. Vega, J. Chem. Phys. 126, 014507 (2007)] although several modifications were introduced to improve the accuracy of the calculations. It is found that the predictions of the solubility are quite sensitive to the details of the force field used. Certain force fields underestimate the experimental solubility of NaCl in water by a factor of four, whereas the predictions of other force fields are within 20% of the experimental value. Direct coexistence molecular dynamic simulations were also performed to determine the solubility of the salt. Reasonable agreement was found between the solubility obtained from free energy calculations and that obtained from direct coexistence simulations. This work shows that the evaluation of the solubility of salts in water can now be performed in computer simulations. The solubility depends on the ion-ion, ion-water, and water-water interactions. For this reason, the prediction of the solubility can be quite useful in future work to develop force fields for ions in water.

Assessing the thermo-mechanical TaMeTirE model in offline vehicle simulation and driving simulator tests

NASA Astrophysics Data System (ADS)

Durand-Gasselin, Benoit; Dailliez, Thibault; Mössner-Beigel, Monika; Knorr, Stephanie; Rauh, Jochen

2010-12-01

This paper presents the experiences using Michelin's thermo-mechanical TaMeTirE tyre model for real-time handling applications in the field of advanced passenger car simulation. Passenger car handling simulations were performed using the tyre model in a full-vehicle real-time environment in order to assess TaMeTirE's level of consistency with real on-track handling behaviour. To achieve this goal, a first offline comparison with a state-of-the-art handling tyre model was carried out on three handling manoeuvres. Then, online real-time simulations of steering wheel steps and slaloms in straight line were run on Daimler's driving simulator by skilled and unskilled drivers. Two analytical tyre temperature effects and two inflation pressure effects were carried out in order to feel their impact on the handling behaviour of the vehicle. This paper underlines the realism of the handling simulation results performed with TaMeTirE, and shows the significant impact of a pressure or a temperature effect on the handling behaviour of a car.

Thermodynamic properties of hydrogen dissociation reaction from the small system method and reactive force field ReaxFF

NASA Astrophysics Data System (ADS)

Trinh, Thuat T.; Meling, Nora; Bedeaux, Dick; Kjelstrup, Signe

2017-03-01

We present thermodynamic properties of the H2 dissociation reaction by means of the Small System Method (SSM) using Reactive Force Field (ReaxFF) simulations. Thermodynamic correction factors, partial molar enthalpies and heat capacities of the reactant and product were obtained in the high temperature range; up to 30,000 K. The results obtained from the ReaxFF potential agree well with previous results obtained with a three body potential (TBP). This indicates that the popular reactive force field method can be combined well with the newly developed SSM in realistic simulations of chemical reactions. The approach may be useful in the study of heat and mass transport in combination with chemical reactions.

High-frequency intrinsic dynamics of the electrocaloric effect from direct atomistic simulations

NASA Astrophysics Data System (ADS)

Lisenkov, S.; Ponomareva, I.

2018-05-01

We propose a computational methodology capable of harvesting isothermal heat and entropy change in molecular dynamics simulations. The methodology is applied to study high-frequency dynamics of the electrocaloric effect (ECE) in ferroelectric PbTiO3. ECE is associated with a reversible change in temperature under adiabatic application of electric field or with a reversible change in entropy under isothermal application of the electric field. Accurate assessment of electrocaloric performance requires the knowledge of three quantities: isothermal heat, isothermal entropy change, and adiabatic temperature change. Our methodology allows computations of all these quantities directly, that is, without restoring to the reversible thermodynamical models. Consequently, it captures both reversible and irreversible effects, which is critical for ECE simulations. The approach is well suited to address the dynamics of the ECE, which so far remains underexplored. We report the following basic features of the intrinsic dynamics of ECE: (i) the ECE is independent of the electric field frequency, rate of application, or field profile; (ii) the effect persists up to the frequencies associated with the onset of dielectric losses and deteriorates from there due to the creation of irreversible entropy; and (iii) in the vicinity of the phase transition and in the paraelectric phase the onset of irreversible dynamics occurs at lower frequency as compared to the ferroelectric phase. The latter is attributed to lower intrinsic soft-mode frequencies and and larger losses in the paraelectric phase.

Observational Signatures of Coronal Heating

NASA Astrophysics Data System (ADS)

Dahlburg, R. B.; Einaudi, G.; Ugarte-Urra, I.; Warren, H. P.; Rappazzo, A. F.; Velli, M.; Taylor, B.

2016-12-01

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

Microwave and millimeter-wave power generation in silicon carbide (SiC) IMPATT devices

NASA Technical Reports Server (NTRS)

Mehdi, I.; Haddad, George I.; Mains, R. K.

1989-01-01

There are two points that should be noted. First, in the thermal resistance calculations it is assumed that the device is operating at 773 K while the results of the room temperature simulations are used. This was done because there is not enough information to correctly predict the material parameters at 773 K. Since, in general, device performance degrades with increasing temperature, the cw results are perhaps a bit optimistic. Second, the electric field in these structures gets extremely high and there might be some possibility of tunneling. This was not incorporated into the simulation. Again, this could result in different device operating conditions.

Determination of the out-of-plane anisotropy contributions (first and second anisotropy terms) in amorphous Nd-Co thin films by micromagnetic numerical simulations

NASA Astrophysics Data System (ADS)

Alvarez-Prado, L. M.; Cid, R.; Morales, R.; Diaz, J.; Vélez, M.; Rubio, H.; Hierro-Rodriguez, A.; Alameda, J. M.

2018-06-01

Amorphous Nd-Co thin films exhibit stripe shaped periodic magnetic domains with local out-of-plane magnetization components due to their perpendicular magnetic anisotropy. This anisotropy has been quantified in a fairly simple way by reproducing the experimental magnetization curves by means of micromagnetic numerical simulations. The simulations show that the first (K1) and second (K2) anisotropy constants must be used to properly describe the variation of the stripe domains with the in plane applied magnetic field. A strong temperature dependence of both K1 and K2 has been obtained between 10 K and room temperature. This anisotropy behavior is characteristic of two magnetically coupled 3d-4f sublattices with competing anisotropies.

Simulation on an optimal combustion control strategy for 3-D temperature distributions in tangentially pc-fired utility boiler furnaces.

PubMed

Wang, Xi-fen; Zhou, Huai-chun

2005-01-01

The control of 3-D temperature distribution in a utility boiler furnace is essential for the safe, economic and clean operation of pc-fired furnace with multi-burner system. The development of the visualization of 3-D temperature distributions in pc-fired furnaces makes it possible for a new combustion control strategy directly with the furnace temperature as its goal to improve the control quality for the combustion processes. Studied in this paper is such a new strategy that the whole furnace is divided into several parts in the vertical direction, and the average temperature and its bias from the center in every cross section can be extracted from the visualization results of the 3-D temperature distributions. In the simulation stage, a computational fluid dynamics (CFD) code served to calculate the 3-D temperature distributions in a furnace, then a linear model was set up to relate the features of the temperature distributions with the input of the combustion processes, such as the flow rates of fuel and air fed into the furnaces through all the burners. The adaptive genetic algorithm was adopted to find the optimal combination of the whole input parameters which ensure to form an optimal 3-D temperature field in the furnace desired for the operation of boiler. Simulation results showed that the strategy could soon find the factors making the temperature distribution apart from the optimal state and give correct adjusting suggestions.

Numerical simulation of the world ocean circulation

NASA Technical Reports Server (NTRS)

Takano, K.; Mintz, Y.; Han, Y. J.

1973-01-01

A multi-level model, based on the primitive equations, is developed for simulating the temperature and velocity fields produced in the world ocean by differential heating and surface wind stress. The model ocean has constant depth, free slip at the lower boundary, and neglects momentum advection; so that there is no energy exchange between the barotropic and baroclinic components of the motion, although the former influences the latter through temperature advection. The ocean model was designed to be coupled to the UCLA atmospheric general circulation model, for the study of the dynamics of climate and climate changes. But here, the model is tested by prescribing the observed seasonally varying surface wind stress and the incident solar radiation, the surface air temperature and humidity, cloudiness and the surface wind speed, which, together with the predicted ocean surface temperature, determine the surface flux of radiant energy, sensible heat and latent heat.

Estimation of sea surface temperature from remote measurements in the 11-13 micron window region

NASA Technical Reports Server (NTRS)

Prabhakara, C.; Conrath, B. J.; Kunde, V. G.

1972-01-01

The Nimbus-4 IRIS data was examined in the spectral region 775 to 1250/cm (8-13 microns) for useful information to determine the sea surface temperature. The high spectral resolution data of IRIS was degraded to low resolution by averaging to simulate a multi-channel radiometer in the window region. These simulated data show that within the region 775-975/cm (12.9-10.25 microns) the brightness temperatures are linearly related to the absorption parameters. Such a linear relationship is observed over cloudy as well as clear regions and over a wide range of latitudes. From this linear relationship it is feasible to correct for the atmospheric attenuation and get the sea surface temperature, accurate to within 1 K, in a cloud free field of view. The information about the cloud cover is taken from the TV pictures and BUV albedo measurements on board the Nimbus-4 satellite.

The Helioseismic and Magnetic Imager (HMI) Vector Magnetic Field Pipeline: Magnetohydrodynamics Simulation Module for the Global Solar Corona.

PubMed

Hayashi, K; Hoeksema, J T; Liu, Y; Bobra, M G; Sun, X D; Norton, A A

Time-dependent three-dimensional magnetohydrodynamics (MHD) simulation modules are implemented at the Joint Science Operation Center (JSOC) of the Solar Dynamics Observatory (SDO). The modules regularly produce three-dimensional data of the time-relaxed minimum-energy state of the solar corona using global solar-surface magnetic-field maps created from Helioseismic and Magnetic Imager (HMI) full-disk magnetogram data. With the assumption of a polytropic gas with specific-heat ratio of 1.05, three types of simulation products are currently generated: i) simulation data with medium spatial resolution using the definitive calibrated synoptic map of the magnetic field with a cadence of one Carrington rotation, ii) data with low spatial resolution using the definitive version of the synchronic frame format of the magnetic field, with a cadence of one day, and iii) low-resolution data using near-real-time (NRT) synchronic format of the magnetic field on a daily basis. The MHD data available in the JSOC database are three-dimensional, covering heliocentric distances from 1.025 to 4.975 solar radii, and contain all eight MHD variables: the plasma density, temperature, and three components of motion velocity, and three components of the magnetic field. This article describes details of the MHD simulations as well as the production of the input magnetic-field maps, and details of the products available at the JSOC database interface. To assess the merits and limits of the model, we show the simulated data in early 2011 and compare with the actual coronal features observed by the Atmospheric Imaging Assembly (AIA) and the near-Earth in-situ data.