An Investigation of Flow over High Roughness. Task I: Study of Airflow in Simulated Temperature and Tropical Forest Canopies, Fort Huachuca.

DTIC Science & Technology

ATMOSPHERIC MOTION, TREES), (*AEROSOLS, DIFFUSION ), TROPICAL REGIONS, SIMULATION, ATMOSPHERIC TEMPERATURE, TURBULENT BOUNDARY LAYER, ROUGHNESS, FORESTRY, ATMOSPHERE MODELS, WIND TUNNELS, COLORADO, MILITARY FACILITIES

Observations and statistical simulations of a proposed solar cycle/QBO/weather relationship

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

Baldwin, M.P.; Dunkerton, T.J.

1989-08-01

The 10.7 cm solar flux is observed to be highly correlated with north pole stratospheric temperatures when partitioned according to the phase of the equatorial stratospheric winds (the quasi-biennial oscillation, or QBO). The authors supplement observations with calculations showing that temperatures over most of the northern hemisphere are highly correlated or anticorrelated with north pole temperatures. The observed spatial pattern of solar cycle correlations at high latitudes is shown to be not unique to the solar cycle. The authors present results, similar to the observed solar cycle correlations, with simulated harmonics of various periods replacing the solar cycle. These calculationsmore » demonstrate the correlations at least as high as those for the solar cycle results may be obtained using simulated harmonics.« less

High temperature antenna development for space shuttle, volume 2. [space environment simulation effects on antenna radiation patterns

NASA Technical Reports Server (NTRS)

Kuhlman, E. A.

1974-01-01

An S-band antenna system and a group of off-the-shelf aircraft antenna were exposed to temperatures simulating shuttle orbital cold soak and entry heating. Radiation pattern and impedance measurements before and after exposure to the thermal environments were used to evaluate the electrical performance. The results of the electrical and thermal testing are given. Test data showed minor changes in electrical performance and established the capability of these antenna to withstand both the low temperatures of space flight and the high temperatures of entry.

[Retrieval of the Optical Thickness and Cloud Top Height of Cirrus Clouds Based on AIRS IR High Spectral Resolution Data].

PubMed

Cao, Ya-nan; Wei, He-li; Dai, Cong-ming; Zhang, Xue-hai

2015-05-01

A study was carried out to retrieve optical thickness and cloud top height of cirrus clouds from the Atmospheric Infrared Sounder (AIRS) high spectral resolution data in 1070~1135 cm-1 IR band using a Combined Atmospheric Radiative Transfer model (CART) by brightness temperature difference between model simulation and AIRS observation. The research is based on AIRS LIB high spectral infrared observation data combined with Moderate Resolution Imaging Spectroradiometer (MODIS) cloud product data. Brightness temperature spectra based, on the retrieved cirrus optical thickness and cloud top height were simulated and compared with brightness temperature spectra of AIRS observation in the 650~1150 cm-1 band. The cirrus optical thickness and cloud top height retrieved were compared with brightness temperature of AIRS for channel 760 (900.56 cm-1, 11. 1 µm) and cirrus reflectance of MODIS cloud product. And cloud top height retrieved was compared with cloud top height from MODIS. Results show that the brightness temperature spectra simulated were basically consistent with AIRS observation under the condition of retrieval in the 650~1150 cm-1 band. It means that CART can be used to simulate AIRS brightness temperature spectra. The retrieved cirrus parameters are consistent with brightness temperature of AIRS for channel 11. 1 µm with low brightness temperature corresponding to large cirrus optical thickness and high cloud top height. And the retrieved cirrus parameters are consistent with cirrus reflectance of MODIS cloud product with high cirrus reflectance corresponding to large cirrus optical thickness and high cloud top height. Correlation coefficient of brightness temperature between retrieved cloud top height and MODIS cloud top height was relatively high. They are mostly located in the range of 8. 5~11.5 km, and their probability distribution trend is approximately identical. CART model is feasible to retrieve cirrus properties, and the retrieval is reliable.

Results of a joint NOAA/NASA sounder simulation study

NASA Technical Reports Server (NTRS)

Phillips, N.; Susskind, Joel; Mcmillin, L.

1988-01-01

This paper presents the results of a joint NOAA and NASA sounder simulation study in which the accuracies of atmospheric temperature profiles and surface skin temperature measuremnents retrieved from two sounders were compared: (1) the currently used IR temperature sounder HIRS2 (High-resolution Infrared Radiation Sounder 2); and (2) the recently proposed high-spectral-resolution IR sounder AMTS (Advanced Moisture and Temperature Sounder). Simulations were conducted for both clear and partial cloud conditions. Data were analyzed at NASA using a physical inversion technique and at NOAA using a statistical technique. Results show significant improvement of AMTS compared to HIRS2 for both clear and cloudy conditions. The improvements are indicated by both methods of data analysis, but the physical retrievals outperform the statistical retrievals.

Estimation of state and material properties during heat-curing molding of composite materials using data assimilation: A numerical study.

PubMed

Matsuzaki, Ryosuke; Tachikawa, Takeshi; Ishizuka, Junya

2018-03-01

Accurate simulations of carbon fiber-reinforced plastic (CFRP) molding are vital for the development of high-quality products. However, such simulations are challenging and previous attempts to improve the accuracy of simulations by incorporating the data acquired from mold monitoring have not been completely successful. Therefore, in the present study, we developed a method to accurately predict various CFRP thermoset molding characteristics based on data assimilation, a process that combines theoretical and experimental values. The degree of cure as well as temperature and thermal conductivity distributions during the molding process were estimated using both temperature data and numerical simulations. An initial numerical experiment demonstrated that the internal mold state could be determined solely from the surface temperature values. A subsequent numerical experiment to validate this method showed that estimations based on surface temperatures were highly accurate in the case of degree of cure and internal temperature, although predictions of thermal conductivity were more difficult.

METCAN simulation of candidate metal matrix composites for high temperature applications

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun

1990-01-01

The METCAN (Metal Matrix Composite Analyzer) computer code is used to simulate the nonlinear behavior of select metal matrix composites in order to assess their potential for high temperature structural applications. Material properties for seven composites are generated at a fiber volume ratio of 0.33 for two bonding conditions (a perfect bond and a weak interphase case) at various temperatures. A comparison of the two bonding conditions studied shows a general reduction in value of all properties (except CTE) for the weak interphase case from the perfect bond case. However, in the weak interphase case, the residual stresses that develop are considerably less than those that form in the perfect bond case. Results of the computational simulation indicate that among the metal matrix composites examined, SiC/NiAl is the best candidate for high temperature applications at the given fiber volume ratio.

Mechanical properties of Inconel 718 and Nickel 201 alloys after thermal histories simulating brazing and high temperature service

NASA Technical Reports Server (NTRS)

James, W. F.

1985-01-01

An experimental investigation was made to evaluate two nickel base alloys (Nickel-201 and Inconel-718) in three heat treated conditions. These conditions were: (1) annealed; (2) after thermal exposure simulating a braze cycle; and (3) after a thermal exposure simulating a braze cycle plus one operational lifetime of high temperature service. For the Nickel-201, two different braze cycle temperatures were evaluated. A braze cycle utilizing a lower braze temperature resulted in less grain growth for Nickel-201 than the standard braze cycle used for joining Nickel-201 to Inconel-718. It was determined, however, that Nickel-201, was marginal for temperatures investigated due to large grain growth. After the thermal exposures described above, the mechanical properties of Nickel-201 were degraded, whereas similar exposure on Inconel-718 actually strengthened the material compared with the annealed condition. The investigation included tensile tests at both room temperature and elevated temperatures, stress-rupture tests, and metallographic examination.

High resolution temperature mapping of gas turbine combustor simulator exhaust with femtosecond laser induced fiber Bragg gratings

NASA Astrophysics Data System (ADS)

Walker, Robert B.; Yun, Sangsig; Ding, Huimin; Charbonneau, Michel; Coulas, David; Lu, Ping; Mihailov, Stephen J.; Ramachandran, Nanthan

2017-04-01

Femtosecond infrared (fs-IR) laser written fiber Bragg gratings (FBGs), have demonstrated great potential for extreme sensing. Such conditions are inherent in advanced gas turbine engines under development to reduce greenhouse gas emissions; and the ability to measure temperature gradients in these harsh environments is currently limited by the lack of sensors and controls capable of withstanding the high temperature, pressure and corrosive conditions present. This paper discusses fabrication and deployment of several fs-IR written FBG arrays, for monitoring exhaust temperature gradients of a gas turbine combustor simulator. Results include: contour plots of measured temperature gradients, contrast with thermocouple data.

Scenario and modelling uncertainty in global mean temperature change derived from emission driven Global Climate Models

NASA Astrophysics Data System (ADS)

Booth, B. B. B.; Bernie, D.; McNeall, D.; Hawkins, E.; Caesar, J.; Boulton, C.; Friedlingstein, P.; Sexton, D.

2012-09-01

We compare future changes in global mean temperature in response to different future scenarios which, for the first time, arise from emission driven rather than concentration driven perturbed parameter ensemble of a Global Climate Model (GCM). These new GCM simulations sample uncertainties in atmospheric feedbacks, land carbon cycle, ocean physics and aerosol sulphur cycle processes. We find broader ranges of projected temperature responses arising when considering emission rather than concentration driven simulations (with 10-90 percentile ranges of 1.7 K for the aggressive mitigation scenario up to 3.9 K for the high end business as usual scenario). A small minority of simulations resulting from combinations of strong atmospheric feedbacks and carbon cycle responses show temperature increases in excess of 9 degrees (RCP8.5) and even under aggressive mitigation (RCP2.6) temperatures in excess of 4 K. While the simulations point to much larger temperature ranges for emission driven experiments, they do not change existing expectations (based on previous concentration driven experiments) on the timescale that different sources of uncertainty are important. The new simulations sample a range of future atmospheric concentrations for each emission scenario. Both in case of SRES A1B and the Representative Concentration Pathways (RCPs), the concentration pathways used to drive GCM ensembles lies towards the lower end of our simulated distribution. This design decision (a legecy of previous assessments) is likely to lead concentration driven experiments to under-sample strong feedback responses in concentration driven projections. Our ensemble of emission driven simulations span the global temperature response of other multi-model frameworks except at the low end, where combinations of low climate sensitivity and low carbon cycle feedbacks lead to responses outside our ensemble range. The ensemble simulates a number of high end responses which lie above the CMIP5 carbon cycle range. These high end simulations can be linked to sampling a number of stronger carbon cycle feedbacks and to sampling climate sensitivities above 4.5 K. This latter aspect highlights the priority in identifying real world climate sensitivity constraints which, if achieved, would lead to reductions on the uppper bound of projected global mean temperature change. The ensembles of simulations presented here provides a framework to explore relationships between present day observables and future changes while the large spread of future projected changes, highlights the ongoing need for such work.

Optical fiber evanescent absorption sensors for high-temperature gas sensing in advanced coal-fired power plants

NASA Astrophysics Data System (ADS)

Buric, Michael P.; Ohodnicky, Paul R.; Duy, Janice

2012-10-01

Modern advanced energy systems such as coal-fired power plants, gasifiers, or similar infrastructure present some of the most challenging harsh environments for sensors. The power industry would benefit from new, ultra-high temperature devices capable of surviving in hot and corrosive environments for embedded sensing at the highest value locations. For these applications, we are currently exploring optical fiber evanescent wave absorption spectroscopy (EWAS) based sensors consisting of high temperature core materials integrated with novel high temperature gas sensitive cladding materials. Mathematical simulations can be used to assist in sensor development efforts, and we describe a simulation code that assumes a single thick cladding layer with gas sensitive optical constants. Recent work has demonstrated that Au nanoparticle-incorporated metal oxides show a potentially useful response for high temperature optical gas sensing applications through the sensitivity of the localized surface plasmon resonance absorption peak to ambient atmospheric conditions. Hence, the simulation code has been applied to understand how such a response can be exploited in an optical fiber based EWAS sensor configuration. We demonstrate that interrogation can be used to optimize the sensing response in such materials.

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.

Simulated Data for High Temperature Composite Design

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Abumeri, Galib H.

2006-01-01

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

The role of riparian vegetation density, channel orientation and water velocity in determining river temperature dynamics

NASA Astrophysics Data System (ADS)

Garner, Grace; Malcolm, Iain A.; Sadler, Jonathan P.; Hannah, David M.

2017-10-01

A simulation experiment was used to understand the importance of riparian vegetation density, channel orientation and flow velocity for stream energy budgets and river temperature dynamics. Water temperature and meteorological observations were obtained in addition to hemispherical photographs along a ∼1 km reach of the Girnock Burn, a tributary of the Aberdeenshire Dee, Scotland. Data from nine hemispherical images (representing different uniform canopy density scenarios) were used to parameterise a deterministic net radiation model and simulate radiative fluxes. For each vegetation scenario, the effects of eight channel orientations were investigated by changing the position of north at 45° intervals in each hemispheric image. Simulated radiative fluxes and observed turbulent fluxes drove a high-resolution water temperature model of the reach. Simulations were performed under low and high water velocity scenarios. Both velocity scenarios yielded decreases in mean (≥1.6 °C) and maximum (≥3.0 °C) temperature as canopy density increased. Slow-flowing water resided longer within the reach, which enhanced heat accumulation and dissipation, and drove higher maximum and lower minimum temperatures. Intermediate levels of shade produced highly variable energy flux and water temperature dynamics depending on the channel orientation and thus the time of day when the channel was shaded. We demonstrate that in many reaches relatively sparse but strategically located vegetation could produce substantial reductions in maximum temperature and suggest that these criteria are used to inform future river management.

Analysis of Aluminum-Nitride SOI for High-Temperature Electronics

NASA Technical Reports Server (NTRS)

Biegel, Bryan A.; Osman, Mohamed A.; Yu, Zhiping

2000-01-01

We use numerical simulation to investigate the high-temperature (up to 500K) operation of SOI MOSFETs with Aluminum-Nitride (AIN) buried insulators, rather than the conventional silicon-dioxide (SiO2). Because the thermal conductivity of AIN is about 100 times that of SiO2, AIN SOI should greatly reduce the often severe self-heating problem of conventional SOI, making SOI potentially suitable for high-temperature applications. A detailed electrothermal transport model is used in the simulations, and solved with a PDE solver called PROPHET In this work, we compare the performance of AIN-based SOI with that of SiO2-based SOI and conventional MOSFETs. We find that AIN SOI does indeed remove the self-heating penalty of SOL However, several device design trade-offs remain, which our simulations highlight.

Reaching extended length-scales with temperature-accelerated dynamics

NASA Astrophysics Data System (ADS)

Amar, Jacques G.; Shim, Yunsic

2013-03-01

In temperature-accelerated dynamics (TAD) a high-temperature molecular dynamics (MD) simulation is used to accelerate the search for the next low-temperature activated event. While TAD has been quite successful in extending the time-scales of simulations of non-equilibrium processes, due to the fact that the computational work scales approximately as the cube of the number of atoms, until recently only simulations of relatively small systems have been carried out. Recently, we have shown that by combining spatial decomposition with our synchronous sublattice algorithm, significantly improved scaling is possible. However, in this approach the size of activated events is limited by the processor size while the dynamics is not exact. Here we discuss progress in developing an alternate approach in which high-temperature parallel MD along with localized saddle-point (LSAD) calculations, are used to carry out TAD simulations without restricting the size of activated events while keeping the dynamics ``exact'' within the context of harmonic transition-state theory. In tests of our LSAD method applied to Ag/Ag(100) annealing and Cu/Cu(100) growth simulations we find significantly improved scaling of TAD, while maintaining a negligibly small error in the energy barriers. Supported by NSF DMR-0907399.

Temperature dependence of underdense nanostructure formation in tungsten under helium irradiation

DOE PAGES

Valles, G.; Martin-Bragado, I.; Nordlund, K.; ...

2017-04-19

Recently, tungsten has been found to form a highly underdense nanostructured morphology (“W fuzz”) when bombarded by an intense flux of He ions, but only in the temperature window 900–2000 K. Furthermore, using object kinetic Monte Carlo simulations (pseudo-3D simulations) parameterized from first principles, we show that this temperature dependence can be understood based on He and point defect clustering, cluster growth, and detrapping reactions. At low temperatures (<900 K), fuzz does not grow because almost all He is trapped in very small He-vacancy clusters. At high temperatures (>2300 K), all He is detrapped from clusters, preventing the formation ofmore » the large clusters that lead to fuzz growth in the intermediate temperature range.« less

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

NASA Astrophysics Data System (ADS)

Liu, Weiguo; Shen, Ping; Jin, Na

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

A simple algorithm for beam profile diagnostics using a thermographic camera

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

Katagiri, Ken; Hojo, Satoru; Honma, Toshihiro

2014-03-15

A new algorithm for digital image processing apparatuses is developed to evaluate profiles of high-intensity DC beams from temperature images of irradiated thin foils. Numerical analyses are performed to examine the reliability of the algorithm. To simulate the temperature images acquired by a thermographic camera, temperature distributions are numerically calculated for 20 MeV proton beams with different parameters. Noise in the temperature images which is added by the camera sensor is also simulated to account for its effect. Using the algorithm, beam profiles are evaluated from the simulated temperature images and compared with exact solutions. We find that niobium ismore » an appropriate material for the thin foil used in the diagnostic system. We also confirm that the algorithm is adaptable over a wide beam current range of 0.11–214 μA, even when employing a general-purpose thermographic camera with rather high noise (ΔT{sub NETD} ≃ 0.3 K; NETD: noise equivalent temperature difference)« less

Effects of Hot Streak Shape on Rotor Heating in a High-Subsonic Single-Stage Turbine

NASA Technical Reports Server (NTRS)

Dorney, Daniel J.; Gundy-Burlet, Karen L.; Norvig, Peter (Technical Monitor)

1999-01-01

Experimental data have shown that combustor temperature non-uniformities can lead to the excessive heating of first-stage rotor blades in turbines. This heating of the rotor blades can lead to thermal fatigue and degrade turbine performance. The results of recent studies have shown that variations in the circumferential location (clocking) of the hot streak relative to the first-stage vane airfoils can be used to minimize the adverse effects of the hot streak. The effects of the hot streak/airfoil count ratio on the heating patterns of turbine airfoils have also been evaluated. In the present investigation, three-dimensional unsteady Navier-Stokes simulations have been performed for a single-stage high-pressure turbine operating in high subsonic flow. In addition to a simulation of the baseline turbine, simulations have been performed for circular and elliptical hot streaks of varying sizes in an effort to represent different combustor designs. The predicted results for the baseline simulation show good agreement with the available experimental data. The results of the hot streak simulations indicate: that a) elliptical hot streaks mix more rapidly than circular hot streaks, b) for small hot streak surface area the average rotor temperature is not a strong function of hot streak temperature ratio or shape, and c) hot streaks with larger surface area interact with the secondary flows at the rotor hub endwall, generating an additional high temperature region.

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

Valles, G.; Martin-Bragado, I.; Nordlund, K.

Recently, tungsten has been found to form a highly underdense nanostructured morphology (“W fuzz”) when bombarded by an intense flux of He ions, but only in the temperature window 900–2000 K. Furthermore, using object kinetic Monte Carlo simulations (pseudo-3D simulations) parameterized from first principles, we show that this temperature dependence can be understood based on He and point defect clustering, cluster growth, and detrapping reactions. At low temperatures (<900 K), fuzz does not grow because almost all He is trapped in very small He-vacancy clusters. At high temperatures (>2300 K), all He is detrapped from clusters, preventing the formation ofmore » the large clusters that lead to fuzz growth in the intermediate temperature range.« less

Scenario and modelling uncertainty in global mean temperature change derived from emission-driven global climate models

NASA Astrophysics Data System (ADS)

Booth, B. B. B.; Bernie, D.; McNeall, D.; Hawkins, E.; Caesar, J.; Boulton, C.; Friedlingstein, P.; Sexton, D. M. H.

2013-04-01

We compare future changes in global mean temperature in response to different future scenarios which, for the first time, arise from emission-driven rather than concentration-driven perturbed parameter ensemble of a global climate model (GCM). These new GCM simulations sample uncertainties in atmospheric feedbacks, land carbon cycle, ocean physics and aerosol sulphur cycle processes. We find broader ranges of projected temperature responses arising when considering emission rather than concentration-driven simulations (with 10-90th percentile ranges of 1.7 K for the aggressive mitigation scenario, up to 3.9 K for the high-end, business as usual scenario). A small minority of simulations resulting from combinations of strong atmospheric feedbacks and carbon cycle responses show temperature increases in excess of 9 K (RCP8.5) and even under aggressive mitigation (RCP2.6) temperatures in excess of 4 K. While the simulations point to much larger temperature ranges for emission-driven experiments, they do not change existing expectations (based on previous concentration-driven experiments) on the timescales over which different sources of uncertainty are important. The new simulations sample a range of future atmospheric concentrations for each emission scenario. Both in the case of SRES A1B and the Representative Concentration Pathways (RCPs), the concentration scenarios used to drive GCM ensembles, lies towards the lower end of our simulated distribution. This design decision (a legacy of previous assessments) is likely to lead concentration-driven experiments to under-sample strong feedback responses in future projections. Our ensemble of emission-driven simulations span the global temperature response of the CMIP5 emission-driven simulations, except at the low end. Combinations of low climate sensitivity and low carbon cycle feedbacks lead to a number of CMIP5 responses to lie below our ensemble range. The ensemble simulates a number of high-end responses which lie above the CMIP5 carbon cycle range. These high-end simulations can be linked to sampling a number of stronger carbon cycle feedbacks and to sampling climate sensitivities above 4.5 K. This latter aspect highlights the priority in identifying real-world climate-sensitivity constraints which, if achieved, would lead to reductions on the upper bound of projected global mean temperature change. The ensembles of simulations presented here provides a framework to explore relationships between present-day observables and future changes, while the large spread of future-projected changes highlights the ongoing need for such work.

Development of a fuel-rod simulator and small-diameter thermocouples for high-temperature, high-heat-flux tests in the Gas-Cooled Fast Reactor Core Flow Test Loop

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

McCulloch, R.W.; MacPherson, R.E.

1983-03-01

The Core Flow Test Loop was constructed to perform many of the safety, core design, and mechanical interaction tests in support of the Gas-Cooled Fast Reactor (GCFR) using electrically heated fuel rod simulators (FRSs). Operation includes many off-normal or postulated accident sequences including transient, high-power, and high-temperature operation. The FRS was developed to survive: (1) hundreds of hours of operation at 200 W/cm/sup 2/, 1000/sup 0/C cladding temperature, and (2) 40 h at 40 W/cm/sup 2/, 1200/sup 0/C cladding temperature. Six 0.5-mm type K sheathed thermocouples were placed inside the FRS cladding to measure steady-state and transient temperatures through cladmore » melting at 1370/sup 0/C.« less

Dislocation mediated alignment during metal nanoparticle coalescence

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

Lange, A. P.; Samanta, A.; Majidi, H.

2016-09-13

Dislocation mediated alignment processes during gold nanoparticle coalescence were studied at low and high temperatures using molecular dynamics simulations and transmission electron microscopy. Particles underwent rigid body rotations immediately following attachment in both low temperature (500 K) simulated coalescence events and low temperature (~315 K) transmission electron microscopy beam heating experiments. In many low temperature simulations, some degree of misorientation between particles remained after rigid body rotations, which was accommodated by grain boundary dislocation nodes. These dislocations were either sessile and remained at the interface for the duration of the simulation or dissociated and cross-slipped through the adjacent particles, leadingmore » to improved co-alignment. Minimal rigid body rotations were observed during or immediately following attachment in high temperature (1100 K) simulations, which is attributed to enhanced diffusion at the particles' interface. However, rotation was eventually induced by {111} slip on planes parallel to the neck groove. These deformation modes led to the formation of single and multi-fold twins whose structures depended on the initial orientation of the particles. The driving force for {111} slip is attributed to high surface stresses near the intersection of low energy {111} facets in the neck region. The details of this twinning process were examined in detail using simulated trajectories, and the results reveal possible mechanisms for the nucleation and propagation of Shockley partials on consecutive planes. Deformation twinning was also observed in-situ using transmission electron microscopy, which resulted in the co-alignment of a set of the particles' {111} planes across their grain boundary and an increase in their dihedral angle. As a result, this constitutes the first detailed experimental observation of deformation twinning during nanoparticle coalescence, validating simulation results presented here and elsewhere.« less

Thermo-mechanical simulation of liquid-supported stretch blow molding

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

Zimmer, J.; Stommel, M.

2015-05-22

Stretch blow molding is the well-established plastics forming method to produce Polyehtylene therephtalate (PET) bottles. An injection molded preform is heated up above the PET glass transition temperature (Tg∼85°C) and subsequently inflated by pressurized air into a closed cavity. In the follow-up filling process, the resulting bottle is filled with the final product. A recently developed modification of the process combines the blowing and filling stages by directly using the final liquid product to inflate the preform. In a previously published paper, a mechanical simulation and successful evaluation of this liquid-driven stretch blow molding process was presented. In this way,more » a realistic process parameter dependent simulation of the preform deformation throughout the forming process was enabled, whereas the preform temperature evolution during forming was neglected. However, the formability of the preform is highly reduced when the temperature sinks below Tg during forming. Experimental investigations show temperature-induced failure cases due to the fast heat transfer between hot preform and cold liquid. Therefore, in this paper, a process dependent simulation of the temperature evolution during processing to avoid preform failure is presented. For this purpose, the previously developed mechanical model is used to extract the time dependent thickness evolution. This information serves as input for the heat transfer simulation. The required material parameters are calibrated from preform cooling experiments recorded with an infrared-camera. Furthermore, the high deformation ratios during processing lead to strain induced crystallization. This exothermal reaction is included into the simulation by extracting data from preform measurements at different stages of deformation via Differential Scanning Calorimetry (DSC). Finally, the thermal simulation model is evaluated by free forming experiments, recorded by a high-speed infrared camera.« 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).

Bulk properties and near-critical behaviour of SiO2 fluid

NASA Astrophysics Data System (ADS)

Green, Eleanor C. R.; Artacho, Emilio; Connolly, James A. D.

2018-06-01

Rocky planets and satellites form through impact and accretion processes that often involve silicate fluids at extreme temperatures. First-principles molecular dynamics (FPMD) simulations have been used to investigate the bulk thermodynamic properties of SiO2 fluid at high temperatures (4000-6000 K) and low densities (500-2240 kg m-3), conditions which are relevant to protoplanetary disc condensation. Liquid SiO2 is highly networked at the upper end of this density range, but depolymerises with increasing temperature and volume, in a process characterised by the formation of oxygen-oxygen (Odbnd O) pairs. The onset of vaporisation is closely associated with the depolymerisation process, and is likely to be non-stoichiometric at high temperature, initiated via the exsolution of O2 molecules to leave a Si-enriched fluid. By 6000 K the simulated fluid is supercritical. A large anomaly in the constant-volume heat capacity occurs near the critical temperature. We present tabulated thermodynamic properties for silica fluid that reconcile observations from FPMD simulations with current knowledge of the SiO2 melting curve and experimental Hugoniot curves.

Modeling hot spring chemistries with applications to martian silica formation

NASA Astrophysics Data System (ADS)

Marion, G. M.; Catling, D. C.; Crowley, J. K.; Kargel, J. S.

2011-04-01

Many recent studies have implicated hydrothermal systems as the origin of martian minerals across a wide range of martian sites. Particular support for hydrothermal systems include silica (SiO 2) deposits, in some cases >90% silica, in the Gusev Crater region, especially in the Columbia Hills and at Home Plate. We have developed a model called CHEMCHAU that can be used up to 100 °C to simulate hot springs associated with hydrothermal systems. The model was partially derived from FREZCHEM, which is a colder temperature model parameterized for broad ranges of temperature (<-70 to 25 °C), pressure (1-1000 bars), and chemical composition. We demonstrate the validity of Pitzer parameters, volumetric parameters, and equilibrium constants in the CHEMCHAU model for the Na-K-Mg-Ca-H-Cl-ClO 4-SO 4-OH-HCO 3-CO 3-CO 2-O 2-CH 4-Si-H 2O system up to 100 °C and apply the model to hot springs and silica deposits. A theoretical simulation of silica and calcite equilibrium shows how calcite is least soluble with high pH and high temperatures, while silica behaves oppositely. Such influences imply that differences in temperature and pH on Mars could lead to very distinct mineral assemblages. Using measured solution chemistries of Yellowstone hot springs and Icelandic hot springs, we simulate salts formed during the evaporation of two low pH cases (high and low temperatures) and a high temperature, alkaline (high pH) sodic water. Simulation of an acid-sulfate case leads to precipitation of Fe and Al minerals along with silica. Consistency with martian mineral assemblages suggests that hot, acidic sulfate solutions are plausibility progenitors of minerals in the past on Mars. In the alkaline pH (8.45) simulation, formation of silica at high temperatures (355 K) led to precipitation of anhydrous minerals (CaSO 4, Na 2SO 4) that was also the case for the high temperature (353 K) low pH case where anhydrous minerals (NaCl, CaSO 4) also precipitated. Thus we predict that secondary minerals associated with massive silica deposits are plausible indicators on Mars of precipitation environments and aqueous chemistry. Theoretical model calculations are in reasonable agreement with independent experimental silica concentrations, which strengthens the validity of the new CHEMCHAU model.

Modeling hot spring chemistries with applications to martian silica formation

USGS Publications Warehouse

Marion, G.M.; Catling, D.C.; Crowley, J.K.; Kargel, J.S.

2011-01-01

Many recent studies have implicated hydrothermal systems as the origin of martian minerals across a wide range of martian sites. Particular support for hydrothermal systems include silica (SiO2) deposits, in some cases >90% silica, in the Gusev Crater region, especially in the Columbia Hills and at Home Plate. We have developed a model called CHEMCHAU that can be used up to 100??C to simulate hot springs associated with hydrothermal systems. The model was partially derived from FREZCHEM, which is a colder temperature model parameterized for broad ranges of temperature (<-70 to 25??C), pressure (1-1000 bars), and chemical composition. We demonstrate the validity of Pitzer parameters, volumetric parameters, and equilibrium constants in the CHEMCHAU model for the Na-K-Mg-Ca-H-Cl-ClO4-SO4-OH-HCO3-CO3-CO2-O2-CH4-Si-H2O system up to 100??C and apply the model to hot springs and silica deposits.A theoretical simulation of silica and calcite equilibrium shows how calcite is least soluble with high pH and high temperatures, while silica behaves oppositely. Such influences imply that differences in temperature and pH on Mars could lead to very distinct mineral assemblages. Using measured solution chemistries of Yellowstone hot springs and Icelandic hot springs, we simulate salts formed during the evaporation of two low pH cases (high and low temperatures) and a high temperature, alkaline (high pH) sodic water. Simulation of an acid-sulfate case leads to precipitation of Fe and Al minerals along with silica. Consistency with martian mineral assemblages suggests that hot, acidic sulfate solutions are plausibility progenitors of minerals in the past on Mars. In the alkaline pH (8.45) simulation, formation of silica at high temperatures (355K) led to precipitation of anhydrous minerals (CaSO4, Na2SO4) that was also the case for the high temperature (353K) low pH case where anhydrous minerals (NaCl, CaSO4) also precipitated. Thus we predict that secondary minerals associated with massive silica deposits are plausible indicators on Mars of precipitation environments and aqueous chemistry. Theoretical model calculations are in reasonable agreement with independent experimental silica concentrations, which strengthens the validity of the new CHEMCHAU model. ?? 2011 Elsevier Inc.

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

Experimental measurements and theoretical model of the cryogenic performance of bialkali photocathode and characterization with Monte Carlo simulation

DOE PAGES

Xie, Huamu; Ben-Zvi, Ilan; Rao, Triveni; ...

2016-10-19

High-average-current, high-brightness electron sources have important applications, such as in high-repetition-rate free-electron lasers, or in the electron cooling of hadrons. Bialkali photocathodes are promising high-quantum-efficiency (QE) cathode materials, while superconducting rf (SRF) electron guns offer continuous-mode operation at high acceleration, as is needed for high-brightness electron sources. Thus, we must have a comprehensive understanding of the performance of bialkali photocathode at cryogenic temperatures when they are to be used in SRF guns. To remove the heat produced by the radio-frequency field in these guns, the cathode should be cooled to cryogenic temperatures.We recorded an 80% reduction of the QE uponmore » cooling the K 2CsSb cathode from room temperature down to the temperature of liquid nitrogen in Brookhaven National Laboratory (BNL)’s 704 MHz SRF gun.We conducted several experiments to identify the underlying mechanism in this reduction. The change in the spectral response of the bialkali photocathode, when cooled from room temperature (300 K) to 166 K, suggests that a change in the ionization energy (defined as the energy gap from the top of the valence band to vacuum level) is the main reason for this reduction.We developed an analytical model of the process, based on Spicer’s three-step model. The change in ionization energy, with falling temperature, gives a simplified description of the QE’s temperature dependence.We also developed a 2D Monte Carlo code to simulate photoemission that accounts for the wavelength-dependent photon absorption in the first step, the scattering and diffusion in the second step, and the momentum conservation in the emission step. From this simulation, we established a correlation between ionization energy and reduction in the QE. The simulation yielded results comparable to those from the analytical model. The simulation offers us additional capabilities such as calculation of the intrinsic emittance, the temporal response, and the thickness dependence of the QE for the K 2CsSb photocathode.« less

Experimental measurements and theoretical model of the cryogenic performance of bialkali photocathode and characterization with Monte Carlo simulation

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

Xie, Huamu; Ben-Zvi, Ilan; Rao, Triveni

High-average-current, high-brightness electron sources have important applications, such as in high-repetition-rate free-electron lasers, or in the electron cooling of hadrons. Bialkali photocathodes are promising high-quantum-efficiency (QE) cathode materials, while superconducting rf (SRF) electron guns offer continuous-mode operation at high acceleration, as is needed for high-brightness electron sources. Thus, we must have a comprehensive understanding of the performance of bialkali photocathode at cryogenic temperatures when they are to be used in SRF guns. To remove the heat produced by the radio-frequency field in these guns, the cathode should be cooled to cryogenic temperatures.We recorded an 80% reduction of the QE uponmore » cooling the K 2CsSb cathode from room temperature down to the temperature of liquid nitrogen in Brookhaven National Laboratory (BNL)’s 704 MHz SRF gun.We conducted several experiments to identify the underlying mechanism in this reduction. The change in the spectral response of the bialkali photocathode, when cooled from room temperature (300 K) to 166 K, suggests that a change in the ionization energy (defined as the energy gap from the top of the valence band to vacuum level) is the main reason for this reduction.We developed an analytical model of the process, based on Spicer’s three-step model. The change in ionization energy, with falling temperature, gives a simplified description of the QE’s temperature dependence.We also developed a 2D Monte Carlo code to simulate photoemission that accounts for the wavelength-dependent photon absorption in the first step, the scattering and diffusion in the second step, and the momentum conservation in the emission step. From this simulation, we established a correlation between ionization energy and reduction in the QE. The simulation yielded results comparable to those from the analytical model. The simulation offers us additional capabilities such as calculation of the intrinsic emittance, the temporal response, and the thickness dependence of the QE for the K 2CsSb photocathode.« less

A modified thermal conductivity for low density plasma magnetic flux tubes

NASA Technical Reports Server (NTRS)

Comfort, R. H.; Craven, P. D.; Richards, P. G.

1995-01-01

In response to inconsistencies which have arisen in results from a hydrodynamic model in simulation of high ion temperature (1-2 eV) observed in low density, outer plasmasphere flux tubes, we postulate a reduced thermal conductivity coefficient in which only particles in the loss cone of the quasi-collisionless plasma contribute to the thermal conduction. Other particles are assumed to magnetically mirror before they reach the topside ionosphere and therefore not to remove thermal energy from the plasmasphere. This concept is used to formulate a mathematically simple, but physically limiting model for a modified thermal conductivity coefficient. When this modified coefficient is employed in the hydrodynamic model in a case study, the inconsistencies between simulation results and observations are largely resolved. The high simulated ion temperatures are achieved with significantly lower ion temperatures in the topside ionosphere. We suggest that this mechanism may be operative under the limited low density, refilling conditions in which high ion temperatures are observed.

Partition functions of thermally dissociating diatomic molecules and related momentum problem

NASA Astrophysics Data System (ADS)

Buchowiecki, Marcin

2017-11-01

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

Burner Rig Laboratory

NASA Image and Video Library

2015-05-12

The Fuel Burner Rig is a test laboratory at NASA Glenn, which subjects new jet engine materials, treated with protective coatings, to the hostile, high temperature, high velocity environment found inside aircraft turbine engines. These samples face 200-mile per hour flames to simulate the temperatures of aircraft engines in flight. The rig can also simulate aircraft carrier and dusty desert operations where salt and sand can greatly reduce engine life and performance.

Multi-scale simulation of quantum dot formation in Al/Al (110) homoepitaxy

NASA Astrophysics Data System (ADS)

Tiwary, Yogesh; Fichthorn, Kristen

2007-03-01

In experimental studies of Al(110) homoepitaxy, it is observed that over a certain temperature window (330-500K), 3D huts, up to 50 nm high with well defined and smooth (111) and (100) facets, form and self-organize over the micron scale [1]. The factors leading to this kinetic self-organization are currently unclear. To understand how these structures form and evolve, we simulated multi-layer, homoepitaxial growth on Al(110) using ab initio kinetic Monte Carlo (KMC). At the high temperatures, where nano-huts form, the KMC simulations are slow. To tackle this problem, we use a technique developed by Devita & Sander [2], in which isolated adatoms make multiple moves in one step. We achieve high efficiency with this algorithm and we explore very high temperatures on large simulation lattices. We uncover a variety of interesting morphologies (Ripples, mounds, smooth surface, huts) that depend on the growth temperature. By varying the barriers for various rate processes, we discern the factors that determine hut sizes, aspect ratios, and self-organization. [1] F. Buatier de Mongeot, W. Zhu, A. Molle, R. Buzio, C. Boragno, U. Valbusa, E. Wang, and Z. Zhang, Phys. Rev. Lett. 91, 016102 (2003). [2] J.P. Devita & L.M. Sander, Phys. Rev. B 72, 205421 (2005).

Numerical Simulation Of Silicon-Ribbon Growth

NASA Technical Reports Server (NTRS)

Woda, Ben K.; Kuo, Chin-Po; Utku, Senol; Ray, Sujit Kumar

1987-01-01

Mathematical model includes nonlinear effects. In development simulates growth of silicon ribbon from melt. Takes account of entire temperature and stress history of ribbon. Numerical simulations performed with new model helps in search for temperature distribution, pulling speed, and other conditions favoring growth of wide, flat, relatively defect-free silicon ribbons for solar photovoltaic cells at economically attractive, high production rates. Also applicable to materials other than silicon.

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.

Numerical simulation of humidification and heating during inspiration within an adult nose.

PubMed

Sommer, F; Kroger, R; Lindemann, J

2012-06-01

The temperature of inhaled air is highly relevant for the humidification process. Narrow anatomical conditions limit possibilities for in vivo measurements. Numerical simulations offer a great potential to examine the function of the human nose. In the present study, the nasal humidification of inhaled air was simulated simultaneously with temperature distribution during a respiratory cycle. A realistic nose model based on a multislice CT scan was created. The simulation was performed by the Software Fluent(r). Boundary conditions were based on previous in vivo measurements. Inhaled air had a temperature of 20(deg)C and relative humidity of 30%. The wall temperature was assumed to be variable from 34(deg)C to 30(deg)C with constant humidity saturation of 100% during the respiratory cycle. A substantial increase in temperature and humidity can be observed after passing the nasal valve area. Areas with high speed air flow, e.g. the space around the turbinates, show an intensive humidification and heating potential. Inspired air reaches 95% humidity and 28(deg)C within the nasopharynx. The human nose features an enormous humidification and heating capability. Warming and humidification are dependent on each other and show a similar spacial pattern. Concerning the climatisation function, the middle turbinate is of high importance. In contrast to in vivo measurements, numerical simulations can explore the impact of airflow distribution on nasal air conditioning. They are an effective method to investigate nasal pathologies and impacts of surgical procedures.

Standard High Solids Vessel Design De-inventory Simulant Qualification

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

Fiskum, Sandra K.; Burns, Carolyn A.M.; Gauglitz, Phillip A.

The Hanford Tank Waste Treatment and Immobilization Plant (WTP) is working to develop a Standard High Solids Vessel Design (SHSVD) process vessel. To support testing of this new design, WTP engineering staff requested that a Newtonian simulant be developed that would represent the de-inventory (residual high-density tank solids cleanout) process. Its basis and target characteristics are defined in 24590-WTP-ES-ENG-16-021 and implemented through PNNL Test Plan TP-WTPSP-132 Rev. 1.0. This document describes the de-inventory Newtonian carrier fluid (DNCF) simulant composition that will satisfy the basis requirement to mimic the density (1.18 g/mL ± 0.1 g/mL) and viscosity (2.8 cP ± 0.5more » cP) of 5 M NaOH at 25 °C.1 The simulant viscosity changes significantly with temperature. Therefore, various solution compositions may be required, dependent on the test stand process temperature range, to meet these requirements. Table ES.1 provides DNCF compositions at selected temperatures that will meet the density and viscosity specifications as well as the temperature range at which the solution will meet the acceptable viscosity tolerance.« less

Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes.

PubMed

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

2016-12-13

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

Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes

PubMed Central

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

2016-01-01

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

High-resolution fast temperature mapping of a gas turbine combustor simulator with femtosecond infrared laser written fiber Bragg gratings

NASA Astrophysics Data System (ADS)

Walker, Robert B.; Yun, Sangsig; Ding, Huimin; Charbonneau, Michel; Coulas, David; Ramachandran, Nanthan; Mihailov, Stephen J.

2017-02-01

Femtosecond infrared (fs-IR) written fiber Bragg gratings (FBGs), have demonstrated great potential for extreme sensing. Such conditions are inherent to the advanced gas turbine engines under development to reduce greenhouse gas emissions; and the ability to measure temperature gradients in these harsh environments is currently limited by the lack of sensors and controls capable of withstanding the high temperature, pressure and corrosive conditions present. This paper discusses fabrication and deployment of several fs-IR written FBG arrays, for monitoring the sidewall and exhaust temperature gradients of a gas turbine combustor simulator. Results include: contour plots of measured temperature gradients contrasted with thermocouple data, discussion of deployment strategies and comments on reliability.

Temperature dependence of creep compliance of highly cross-linked epoxy: A molecular simulation study

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

Khabaz, Fardin, E-mail: rajesh.khare@ttu.edu; Khare, Ketan S., E-mail: rajesh.khare@ttu.edu; Khare, Rajesh, E-mail: rajesh.khare@ttu.edu

2014-05-15

We have used molecular dynamics (MD) simulations to study the effect of temperature on the creep compliance of neat cross-linked epoxy. Experimental studies of mechanical behavior of cross-linked epoxy in literature commonly report creep compliance values, whereas molecular simulations of these systems have primarily focused on the Young’s modulus. In this work, in order to obtain a more direct comparison between experiments and simulations, atomistically detailed models of the cross-linked epoxy are used to study their creep compliance as a function of temperature using MD simulations. The creep tests are performed by applying a constant tensile stress and monitoring themore » resulting strain in the system. Our results show that simulated values of creep compliance increase with an increase in both time and temperature. We believe that such calculations of the creep compliance, along with the use of time temperature superposition, hold great promise in connecting the molecular insight obtained from molecular simulation at small length- and time-scales with the experimental behavior of such materials. To the best of our knowledge, this work is the first reported effort that investigates the creep compliance behavior of cross-linked epoxy using MD simulations.« less

Temperature distribution analysis of tissue water vaporization during microwave ablation: experiments and simulations.

PubMed

Ai, Haiming; Wu, Shuicai; Gao, Hongjian; Zhao, Lei; Yang, Chunlan; Zeng, Yi

2012-01-01

The temperature distribution in the region near a microwave antenna is a critical factor that affects the entire temperature field during microwave ablation of tissue. It is challenging to predict this distribution precisely, because the temperature in the near-antenna region varies greatly. The effects of water vaporisation and subsequent tissue carbonisation in an ex vivo porcine liver were therefore studied experimentally and in simulations. The enthalpy and high-temperature specific absorption rate (SAR) of liver tissues were calculated and incorporated into the simulation process. The accuracy of predictions for near-field temperatures in our simulations has reached the level where the average maximum error is less than 5°C. In addition, a modified thermal model that accounts for water vaporisation and the change in the SAR distribution pattern is proposed and validated with experiment. The results from this study may be useful in the clinical practice of microwave ablation and can be applied to predict the temperature field in surgical planning.

Two-temperature model in molecular dynamics simulations of cascades in Ni-based alloys

DOE PAGES

Zarkadoula, Eva; Samolyuk, German; Weber, William J.

2017-01-03

In high-energy irradiation events, energy from the fast moving ion is transferred to the system via nuclear and electronic energy loss mechanisms. The nuclear energy loss results in the creation of point defects and clusters, while the energy transferred to the electrons results in the creation of high electronic temperatures, which can affect the damage evolution. In this paper, we perform molecular dynamics simulations of 30 keV and 50 keV Ni ion cascades in nickel-based alloys without and with the electronic effects taken into account. We compare the results of classical molecular dynamics (MD) simulations, where the electronic effects aremore » ignored, with results from simulations that include the electronic stopping only, as well as simulations where both the electronic stopping and the electron-phonon coupling are incorporated, as described by the two temperature model (2T-MD). Finally, our results indicate that the 2T-MD leads to a smaller amount of damage, more isolated defects and smaller defect clusters.« less

Modeling and simulating vortex pinning and transport currents for high temperature superconductors

NASA Astrophysics Data System (ADS)

Sockwell, K. Chad

Superconductivity is a phenomenon characterized by two hallmark properties, zero electrical resistance and the Meissner effect. These properties give great promise to a new generation of resistance free electronics and powerful superconducting magnets. However this possibility is limited by the extremely low critical temperature the superconductors must operate under, typically close to 0K. The recent discovery of high temperature superconductors has brought the critical temperature closer to room temperature than ever before, making the realization of room temperature superconductivity a possibility. Simulations of superconducting technology and materials will be necessary to usher in the new wave of superconducting electronics. Unfortunately these new materials come with new properties such as effects from multiple electron bands, as is the case for magnesium diboride. Moreover, we must consider that all high temperature superconductors are of a Type II variety, which possess magnetic tubes of flux, known as vortices. These vortices interact with transport currents, creating an electrical resistance through a process known as flux flow. Thankfully this process can be prevented by placing impurities in the superconductor, pinning the vortices, making vortex pinning a necessary aspect of our model. At this time there are no other models or simulations that are aimed at modeling vortex pinning, using impurities, in two-band materials. In this work we modify an existing Ginzburg-Landau model for two-band superconductors and add the ability to model normal inclusions (impurities) with a new approach which is unique to the two-band model. Simulations in an attempt to model the material magnesium diboride are also presented. In particular simulations of vortex pinning and transport currents are shown using the modified model. The qualitative properties of magnesium diboride are used to validate the model and its simulations. One main goal from the computational end of the simulations is to enlarge the domain size to produce more realistic simulations that avoid boundary pinning effects. In this work we also implement the numerical software library Trilinos in order to parallelize the simulation to enlarge the domain size. Decoupling methods are also investigated with a goal of enlarging the domain size as well. The One-Band Ginzburg-Landau model serves as a prototypical problem in this endeavor and the methods shown that enlarge the domain size can be easily implemented in the two-band model.

High-Speed Particle-in-Cell Simulation Parallelized with Graphic Processing Units for Low Temperature Plasmas for Material Processing

NASA Astrophysics Data System (ADS)

Hur, Min Young; Verboncoeur, John; Lee, Hae June

2014-10-01

Particle-in-cell (PIC) simulations have high fidelity in the plasma device requiring transient kinetic modeling compared with fluid simulations. It uses less approximation on the plasma kinetics but requires many particles and grids to observe the semantic results. It means that the simulation spends lots of simulation time in proportion to the number of particles. Therefore, PIC simulation needs high performance computing. In this research, a graphic processing unit (GPU) is adopted for high performance computing of PIC simulation for low temperature discharge plasmas. GPUs have many-core processors and high memory bandwidth compared with a central processing unit (CPU). NVIDIA GeForce GPUs were used for the test with hundreds of cores which show cost-effective performance. PIC code algorithm is divided into two modules which are a field solver and a particle mover. The particle mover module is divided into four routines which are named move, boundary, Monte Carlo collision (MCC), and deposit. Overall, the GPU code solves particle motions as well as electrostatic potential in two-dimensional geometry almost 30 times faster than a single CPU code. This work was supported by the Korea Institute of Science Technology Information.

Melting Penetration Simulation of Fe-U System at High Temperature Using MPS_LER

NASA Astrophysics Data System (ADS)

Mustari, A. P. A.; Yamaji, A.; Irwanto, Dwi

2016-08-01

Melting penetration information of Fe-U system is necessary for simulating the molten core behavior during severe accident in nuclear power plants. For Fe-U system, the information is mainly obtained from experiment, i.e. TREAT experiment. However, there is no reported data on SS304 at temperature above 1350°C. The MPS_LER has been developed and validated to simulate melting penetration on Fe-U system. The MPS_LER modelled the eutectic phenomenon by solving the diffusion process and by applying the binary phase diagram criteria. This study simulates the melting penetration of the system at higher temperature using MPS_LER. Simulations were conducted on SS304 at 1400, 1450 and 1500°C. The simulation results show rapid increase of melting penetration rate.

Effects of implantation method and temperature on mortality and loss of simulated transmitters in hybrid striped bass

USGS Publications Warehouse

Walsh, M.G.; Bjorgo, K.A.; Isely, J.J.

2000-01-01

To determine the effects of surgical implantation method and temperature on mortality and transmitter loss, we compared two antenna placements (trailing antenna versus shielded needle) and two suture materials (absorbable versus nonabsorbable) in hybrid striped bass Morone saxitilis x Morone chrysops (227-410 mm total length) that had been surgically implanted with simulated transmitters and held at high (22-29??C) and low (12-18??C) temperatures for 120 d. Fish were individually examined after 7, 30, 60. 90. and 120 d to evaluate suture and wound condition as well as transmitter loss. Neither suture material nor antenna placement affected transmitter loss, mortality, or growth at either high or low temperatures. Absorbable sutures were lost more quickly than were nonabsorbable sutures, but they persisted beyond incision closure at both high and low temperatures. At high temperatures, 50% suture loss occurred by 30 d for absorbable sutures and by 60 d for nonabsorbable sutures. Mortality occurred only at high temperatures but was delayed and was likely caused by peritoneal infection. Transmitter loss was not significant; it occurred only in the low-temperature trial and was caused by pressure necrosis at the incision rather than by suture failure. Temperature significantly affected all responses examined in this study. Significant irritation, infection, and mortality occurred in all treatment groups at high temperatures.

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.;

Impact of substrate and thermal boundary resistance on the performance of AlGaN/GaN HEMTs analyzed by means of electro-thermal Monte Carlo simulations

NASA Astrophysics Data System (ADS)

García, S.; Íñiguez-de-la-Torre, I.; Mateos, J.; González, T.; Pérez, S.

2016-06-01

In this paper, we present results from the simulations of a submicrometer AlGaN/GaN high-electron-mobility transistor (HEMT) by using an in-house electro-thermal Monte Carlo simulator. We study the temperature distribution and the influence of heating on the transfer characteristics and the transconductance when the device is grown on different substrates (sapphire, silicon, silicon carbide and diamond). The effect of the inclusion of a thermal boundary resistance (TBR) is also investigated. It is found that, as expected, HEMTs fabricated on substrates with high thermal conductivities (diamond) exhibit lower temperatures, but the difference between hot-spot and average temperatures is higher. In addition, devices fabricated on substrates with higher thermal conductivities are more sensitive to the value of the TBR because the temperature discontinuity is greater in the TBR layer.

Analysis of Numerical Simulation Database for Pressure Fluctuations Induced by High-Speed Turbulent Boundary Layers

NASA Technical Reports Server (NTRS)

Duan, Lian; Choudhari, Meelan M.

2014-01-01

Direct numerical simulations (DNS) of Mach 6 turbulent boundary layer with nominal freestream Mach number of 6 and Reynolds number of Re(sub T) approximately 460 are conducted at two wall temperatures (Tw/Tr = 0.25, 0.76) to investigate the generated pressure fluctuations and their dependence on wall temperature. Simulations indicate that the influence of wall temperature on pressure fluctuations is largely limited to the near-wall region, with the characteristics of wall-pressure fluctuations showing a strong temperature dependence. Wall temperature has little influence on the propagation speed of the freestream pressure signal. The freestream radiation intensity compares well between wall-temperature cases when normalized by the local wall shear; the propagation speed of the freestream pressure signal and the orientation of the radiation wave front show little dependence on the wall temperature.

Solar Eclipse Effect on Shelter Air Temperature

NASA Technical Reports Server (NTRS)

Segal, M.; Turner, R. W.; Prusa, J.; Bitzer, R. J.; Finley, S. V.

1996-01-01

Decreases in shelter temperature during eclipse events were quantified on the basis of observations, numerical model simulations, and complementary conceptual evaluations. Observations for the annular eclipse on 10 May 1994 over the United States are presented, and these provide insights into the temporal and spatial changes in the shelter temperature. The observations indicated near-surface temperature drops of as much as 6 C. Numerical model simulations for this eclipse event, which provide a complementary evaluation of the spatial and temporal patterns of the temperature drops, predict similar decreases. Interrelationships between the temperature drop, degree of solar irradiance reduction, and timing of the peak eclipse are also evaluated for late spring, summer, and winter sun conditions. These simulations suggest that for total eclipses the drops in shelter temperature in midlatitudes can be as high as 7 C for a spring morning eclipse.

Development of aircraft brake materials. [evaluation of metal and ceramic materials in sliding tests simulation of aircraft braking

NASA Technical Reports Server (NTRS)

Ho, T. L.; Peterson, M. B.

1974-01-01

The requirements of brake materials were outlined and a survey made to select materials to meet the needs of high temperature brakes. A number of metals and ceramic materials were selected and evaluated in sliding tests which simulated aircraft braking. Nickel, molybdenum tungsten, Zr02, high temperature cements and carbons were tested. Additives were then incorporated into these materials to optimize their wear or strength behavior with particular emphasis on nickel and molybdenum base materials and a high temperature potassium silicate cement. Optimum materials were developed which improved wear behavior over conventional brake materials in the simulated test. The best materials are a nickel, aluminum oxide, lead tungstate composition containing graphite or molybdenum disulphite; a molybdenum base material containing LPA100 (an intermetallic compound of cobalt, molybdenum, and silicon); and a carbon material (P5).

Current Challenges in Geothermal Reservoir Simulation

NASA Astrophysics Data System (ADS)

Driesner, T.

2016-12-01

Geothermal reservoir simulation has long been introduced as a valuable tool for geothermal reservoir management and research. Yet, the current generation of simulation tools faces a number of severe challenges, in particular in the application for novel types of geothermal resources such as supercritical reservoirs or hydraulic stimulation. This contribution reviews a number of key problems: Representing the magmatic heat source of high enthalpy resources in simulations. Current practice is representing the deeper parts of a high enthalpy reservoir by a heat flux or temperature boundary condition. While this is sufficient for many reservoir management purposes it precludes exploring the chances of very high enthalpy resources in the deepest parts of such systems as well as the development of reliable conceptual models. Recent 2D simulations with the CSMP++ simulation platform demonstrate the potential of explicitly including the heat source, namely for understanding supercritical resources. Geometrically realistic incorporation of discrete fracture networks in simulation. A growing number of simulation tools can, in principle, handle flow and heat transport in discrete fracture networks. However, solving the governing equations and representing the physical properties are often biased by introducing strongly simplifying assumptions. Including proper fracture mechanics in complex fracture network simulations remains an open challenge. Improvements of the simulating chemical fluid-rock interaction in geothermal reservoirs. Major improvements have been made towards more stable and faster numerical solvers for multicomponent chemical fluid rock interaction. However, the underlying thermodynamic models and databases are unable to correctly address a number of important regions in temperature-pressure-composition parameter space. Namely, there is currently no thermodynamic formalism to describe relevant chemical reactions in supercritical reservoirs. Overcoming this unsatisfactory situation requires fundamental research in high temperature physical chemistry rather than further numerical development.

Evaluation of large-scale meteorological patterns associated with temperature extremes in the NARCCAP regional climate model simulations

NASA Astrophysics Data System (ADS)

Loikith, Paul C.; Waliser, Duane E.; Lee, Huikyo; Neelin, J. David; Lintner, Benjamin R.; McGinnis, Seth; Mearns, Linda O.; Kim, Jinwon

2015-12-01

Large-scale meteorological patterns (LSMPs) associated with temperature extremes are evaluated in a suite of regional climate model (RCM) simulations contributing to the North American Regional Climate Change Assessment Program. LSMPs are characterized through composites of surface air temperature, sea level pressure, and 500 hPa geopotential height anomalies concurrent with extreme temperature days. Six of the seventeen RCM simulations are driven by boundary conditions from reanalysis while the other eleven are driven by one of four global climate models (GCMs). Four illustrative case studies are analyzed in detail. Model fidelity in LSMP spatial representation is high for cold winter extremes near Chicago. Winter warm extremes are captured by most RCMs in northern California, with some notable exceptions. Model fidelity is lower for cool summer days near Houston and extreme summer heat events in the Ohio Valley. Physical interpretation of these patterns and identification of well-simulated cases, such as for Chicago, boosts confidence in the ability of these models to simulate days in the tails of the temperature distribution. Results appear consistent with the expectation that the ability of an RCM to reproduce a realistically shaped frequency distribution for temperature, especially at the tails, is related to its fidelity in simulating LMSPs. Each ensemble member is ranked for its ability to reproduce LSMPs associated with observed warm and cold extremes, identifying systematically high performing RCMs and the GCMs that provide superior boundary forcing. The methodology developed here provides a framework for identifying regions where further process-based evaluation would improve the understanding of simulation error and help guide future model improvement and downscaling efforts.

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

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

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

2012-03-13

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

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.

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

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

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.

A study of internal energy relaxation in shocks using molecular dynamics based models

NASA Astrophysics Data System (ADS)

Li, Zheng; Parsons, Neal; Levin, Deborah A.

2015-10-01

Recent potential energy surfaces (PESs) for the N2 + N and N2 + N2 systems are used in molecular dynamics (MD) to simulate rates of vibrational and rotational relaxations for conditions that occur in hypersonic flows. For both chemical systems, it is found that the rotational relaxation number increases with the translational temperature and decreases as the rotational temperature approaches the translational temperature. The vibrational relaxation number is observed to decrease with translational temperature and approaches the rotational relaxation number in the high temperature region. The rotational and vibrational relaxation numbers are generally larger in the N2 + N2 system. MD-quasi-classical trajectory (QCT) with the PESs is also used to calculate the V-T transition cross sections, the collision cross section, and the dissociation cross section for each collision pair. Direct simulation Monte Carlo (DSMC) results for hypersonic flow over a blunt body with the total collision cross section from MD/QCT simulations, Larsen-Borgnakke with new relaxation numbers, and the N2 dissociation rate from MD/QCT show a profile with a decreased translational temperature and a rotational temperature close to vibrational temperature. The results demonstrate that many of the physical models employed in DSMC should be revised as fundamental potential energy surfaces suitable for high temperature conditions become available.

Expanded modeling of temperature-dependent dielectric properties for microwave thermal ablation

PubMed Central

Ji, Zhen; Brace, Christopher L

2011-01-01

Microwaves are a promising source for thermal tumor ablation due to their ability to rapidly heat dispersive biological tissues, often to temperatures in excess of 100 °C. At these high temperatures, tissue dielectric properties change rapidly and, thus, so do the characteristics of energy delivery. Precise knowledge of how tissue dielectric properties change during microwave heating promises to facilitate more accurate simulation of device performance and helps optimize device geometry and energy delivery parameters. In this study, we measured the dielectric properties of liver tissue during high-temperature microwave heating. The resulting data were compiled into either a sigmoidal function of temperature or an integration of the time–temperature curve for both relative permittivity and effective conductivity. Coupled electromagnetic–thermal simulations of heating produced by a single monopole antenna using the new models were then compared to simulations with existing linear and static models, and experimental temperatures in liver tissue. The new sigmoidal temperature-dependent model more accurately predicted experimental temperatures when compared to temperature–time integrated or existing models. The mean percent differences between simulated and experimental temperatures over all times were 4.2% for sigmoidal, 10.1% for temperature–time integration, 27.0% for linear and 32.8% for static models at the antenna input power of 50 W. Correcting for tissue contraction improved agreement for powers up to 75 W. The sigmoidal model also predicted substantial changes in heating pattern due to dehydration. We can conclude from these studies that a sigmoidal model of tissue dielectric properties improves prediction of experimental results. More work is needed to refine and generalize this model. PMID:21791728

Solitary Wave in One-dimensional Buckyball System at Nanoscale

PubMed Central

Xu, Jun; Zheng, Bowen; Liu, Yilun

2016-01-01

We have studied the stress wave propagation in one-dimensional (1-D) nanoscopic buckyball (C60) system by molecular dynamics (MD) simulation and quantitative modeling. Simulation results have shown that solitary waves are generated and propagating in the buckyball system through impacting one buckyball at one end of the buckyball chain. We have found the solitary wave behaviors are closely dependent on the initial temperature and impacting speed of the buckyball chain. There are almost no dispersion and dissipation of the solitary waves (stationary solitary wave) for relatively low temperature and high impacting speed. While for relatively high temperature and low impacting speed the profile of the solitary waves is highly distorted and dissipated after propagating several tens of buckyballs. A phase diagram is proposed to describe the effect of the temperature and impacting speed on the solitary wave behaviors in buckyball system. In order to quantitatively describe the wave behavior in buckyball system, a simple nonlinear-spring model is established, which can describe the MD simulation results at low temperature very well. The results presented in this work may lay a solid step towards the further understanding and manipulation of stress wave propagation and impact energy mitigation at nanoscale. PMID:26891624

Reconstructive structural phase transitions in dense Mg

NASA Astrophysics Data System (ADS)

Yao, Yansun; Klug, Dennis D.

2012-07-01

The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) → bcc sequence at room temperature is examined by the use of first principles density functional methods. Enthalpy calculations show that the bcc structure replaces the hcp structure to become the most stable structure near 48 GPa, whereas the dhcp structure is never the most stable structure in the pressure range of interest. The characterized phase-transition mechanisms indicate that the hcp → dhcp transition is also associated with a higher enthalpy barrier. At room temperature, the structural sequence hcp → bcc is therefore more energetically favorable for Mg. The same conclusion is also reached from the simulations of the phase transitions using metadynamics methods. At room temperature, the metadynamics simulations predict the onset of a hcp → bcc transition at 40 GPa and the transition becomes more prominent upon further compression. At high temperatures, the metadynamics simulations reveal a structural fluctuation among the hcp, dhcp, and bcc structures at 15 GPa. With increasing pressure, the structural evolution at high temperatures becomes more unambiguous and eventually settles to a bcc structure once sufficient pressure is applied.

Reconstructive structural phase transitions in dense Mg.

PubMed

Yao, Yansun; Klug, Dennis D

2012-07-04

The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) → bcc sequence at room temperature is examined by the use of first principles density functional methods. Enthalpy calculations show that the bcc structure replaces the hcp structure to become the most stable structure near 48 GPa, whereas the dhcp structure is never the most stable structure in the pressure range of interest. The characterized phase-transition mechanisms indicate that the hcp → dhcp transition is also associated with a higher enthalpy barrier. At room temperature, the structural sequence hcp → bcc is therefore more energetically favorable for Mg. The same conclusion is also reached from the simulations of the phase transitions using metadynamics methods. At room temperature, the metadynamics simulations predict the onset of a hcp → bcc transition at 40 GPa and the transition becomes more prominent upon further compression. At high temperatures, the metadynamics simulations reveal a structural fluctuation among the hcp, dhcp, and bcc structures at 15 GPa. With increasing pressure, the structural evolution at high temperatures becomes more unambiguous and eventually settles to a bcc structure once sufficient pressure is applied.

On the Importance of High Frequency Gravity Waves for Ice Nucleation in the Tropical Tropopause Layer

NASA Technical Reports Server (NTRS)

Jensen, Eric J.

2016-01-01

Recent investigations of the influence of atmospheric waves on ice nucleation in cirrus have identified a number of key processes and sensitivities: (1) ice concentrations produced by homogeneous freezing are strongly dependent on cooling rates, with gravity waves dominating upper tropospheric cooling rates; (2) rapid cooling driven by high-frequency waves are likely responsible for the rare occurrences of very high ice concentrations in cirrus; (3) sedimentation and entrainment tend to decrease ice concentrations as cirrus age; and (4) in some situations, changes in temperature tendency driven by high-frequency waves can quench ice nucleation events and limit ice concentrations. Here we use parcel-model simulations of ice nucleation driven by long-duration, constant-pressure balloon temperature time series, along with an extensive dataset of cold cirrus microphysical properties from the recent ATTREX high-altitude aircraft campaign, to statistically examine the importance of high-frequency waves as well as the consistency between our theoretical understanding of ice nucleation and observed ice concentrations. The parcel-model simulations indicate common occurrence of peak ice concentrations exceeding several hundred per liter. Sedimentation and entrainment would reduce ice concentrations as clouds age, but 1-D simulations using a wave parameterization (which underestimates rapid cooling events) still produce ice concentrations higher than indicated by observations. We find that quenching of nucleation events by high-frequency waves occurs infrequently and does not prevent occurrences of large ice concentrations in parcel simulations of homogeneous freezing. In fact, the high-frequency variability in the balloon temperature data is entirely responsible for production of these high ice concentrations in the simulations.

Temperature field simulation and phantom validation of a Two-armed Spiral Antenna for microwave thermotherapy.

PubMed

Du, Yongxing; Zhang, Lingze; Sang, Lulu; Wu, Daocheng

2016-04-29

In this paper, an Archimedean planar spiral antenna for the application of thermotherapy was designed. This type of antenna was chosen for its compact structure, flexible application and wide heating area. The temperature field generated by the use of this Two-armed Spiral Antenna in a muscle-equivalent phantom was simulated and subsequently validated by experimentation. First, the specific absorption rate (SAR) of the field was calculated using the Finite Element Method (FEM) by Ansoft's High Frequency Structure Simulation (HFSS). Then, the temperature elevation in the phantom was simulated by an explicit finite difference approximation of the bioheat equation (BHE). The temperature distribution was then validated by a phantom heating experiment. The results showed that this antenna had a good heating ability and a wide heating area. A comparison between the calculation and the measurement showed a fair agreement in the temperature elevation. The validated model could be applied for the analysis of electromagnetic-temperature distribution in phantoms during the process of antenna design or thermotherapy experimentation.

Using Dynamic Simulation to Evaluate Attemperator Operation in a Natural Gas Combined Cycle With Duct Burners in the Heat Recovery Steam Generator

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

Liese, Eric; Zitney, Stephen E.

A generic training simulator of a natural gas combined cycle was modified to match operations at a real plant. The objective was to use the simulator to analyze cycling operations of the plant. Initial operation of the simulator revealed the potential for saturation conditions in the final high pressure superheater as the attemperator tried to control temperature at the superheater outlet during gas turbine loading and unloading. Subsequent plant operational data confirmed simulation results. Multiple simulations were performed during loading and unloading of the gas turbine to determine operational strategies that prevented saturation and increased the approach to saturation temperature.more » The solutions included changes to the attemperator temperature control setpoints and strategic control of the steam turbine inlet pressure control valve.« less

Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc00667a

PubMed Central

Han, Longtao; Irle, Stephan; Nakai, Hiromi

2018-01-01

We performed nanosecond timescale computer simulations of clusterization and agglomeration processes of boron nitride (BN) nanostructures in hot, high pressure gas, starting from eleven different atomic and molecular precursor systems containing boron, nitrogen and hydrogen at various temperatures from 1500 to 6000 K. The synthesized BN nanostructures self-assemble in the form of cages, flakes, and tubes as well as amorphous structures. The simulations facilitate the analysis of chemical dynamics and we are able to predict the optimal conditions concerning temperature and chemical precursor composition for controlling the synthesis process in a high temperature gas volume, at high pressure. We identify the optimal precursor/temperature choices that lead to the nanostructures of highest quality with the highest rate of synthesis, using a novel parameter of the quality of the synthesis (PQS). Two distinct mechanisms of BN nanotube growth were found, neither of them based on the root-growth process. The simulations were performed using quantum-classical molecular dynamics (QCMD) based on the density-functional tight-binding (DFTB) quantum mechanics in conjunction with a divide-and-conquer (DC) linear scaling algorithm, as implemented in the DC-DFTB-K code, enabling the study of systems as large as 1300 atoms in canonical NVT ensembles for 1 ns time. PMID:29780513

Normalized Temperature Contrast Processing in Infrared Flash Thermography

NASA Technical Reports Server (NTRS)

Koshti, Ajay M.

2016-01-01

The paper presents further development in normalized contrast processing used in flash infrared thermography method. Method of computing normalized image or pixel intensity contrast, and normalized temperature contrast are provided. Methods of converting image contrast to temperature contrast and vice versa are provided. Normalized contrast processing in flash thermography is useful in quantitative analysis of flash thermography data including flaw characterization and comparison of experimental results with simulation. Computation of normalized temperature contrast involves use of flash thermography data acquisition set-up with high reflectivity foil and high emissivity tape such that the foil, tape and test object are imaged simultaneously. Methods of assessing other quantitative parameters such as emissivity of object, afterglow heat flux, reflection temperature change and surface temperature during flash thermography are also provided. Temperature imaging and normalized temperature contrast processing provide certain advantages over normalized image contrast processing by reducing effect of reflected energy in images and measurements, therefore providing better quantitative data. Examples of incorporating afterglow heat-flux and reflection temperature evolution in flash thermography simulation are also discussed.

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.;

On the structure of crystalline and molten cryolite: Insights from the ab initio molecular dynamics in NpT ensemble

NASA Astrophysics Data System (ADS)

Bučko, Tomáš; Šimko, František

2016-02-01

Ab initio molecular dynamics simulations in isobaric-isothermal ensemble have been performed to study the low- and the high-temperature crystalline and liquid phases of cryolite. The temperature induced transitions from the low-temperature solid (α) to the high-temperature solid phase (β) and from the phase β to the liquid phase have been simulated using a series of MD runs performed at gradually increasing temperature. The structure of crystalline and liquid phases is analysed in detail and our computational approach is shown to reliably reproduce the available experimental data for a wide range of temperatures. Relatively frequent reorientations of the AlF6 octahedra observed in our simulation of the phase β explain the thermal disorder in positions of the F- ions observed in X-ray diffraction experiments. The isolated AlF63-, AlF52-, AlF4-, as well as the bridged Al 2 Fm 6 - m ionic entities have been identified as the main constituents of cryolite melt. In accord with the previous high-temperature NMR and Raman spectroscopic experiments, the compound AlF5 2 - has been shown to be the most abundant Al-containing species formed in the melt. The characteristic vibrational frequencies for the AlFn 3 - n species in realistic environment have been determined and the computed values have been found to be in a good agreement with experiment.

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.

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.

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

NASA Technical Reports Server (NTRS)

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

2012-01-01

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

TEM/STEM study of Zircaloy-2 with protective FeAl(Cr) layers under simulated BWR environment and high-temperature steam exposure

NASA Astrophysics Data System (ADS)

Park, Donghee; Mouche, Peter A.; Zhong, Weicheng; Mandapaka, Kiran K.; Was, Gary S.; Heuser, Brent J.

2018-04-01

FeAl(Cr) thin-film depositions on Zircaloy-2 were studied using transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) with respect to oxidation behavior under simulated boiling water reactor (BWR) conditions and high-temperature steam. Columnar grains of FeAl with Cr in solid solution were formed on Zircaloy-2 coupons using magnetron sputtering. NiFe2O4 precipitates on the surface of the FeAl(Cr) coatings were observed after the sample was exposed to the simulated BWR environment. High-temperature steam exposure resulted in grain growth and consumption of the FeAl(Cr) layer, but no delamination at the interface. Outward Al diffusion from the FeAl(Cr) layer occurred during high-temperature steam exposure (700 °C for 3.6 h) to form a 100-nm-thick alumina oxide layer, which was effective in mitigating oxidation of the Zircaloy-2 coupons. Zr intermetallic precipitates formed near the FeAl(Cr) layer due to the inward diffusion of Fe and Al. The counterflow of vacancies in response to the Al and Fe diffusion led to porosity within the FeAl(Cr) layer.

FRAGMENTATION AND EVOLUTION OF MOLECULAR CLOUDS. II. THE EFFECT OF DUST HEATING

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

Urban, Andrea; Evans, Neal J.; Martel, Hugo

2010-02-20

We investigate the effect of heating by luminosity sources in a simulation of clustered star formation. Our heating method involves a simplified continuum radiative transfer method that calculates the dust temperature. The gas temperature is set by the dust temperature. We present the results of four simulations; two simulations assume an isothermal equation of state and the two other simulations include dust heating. We investigate two mass regimes, i.e., 84 M{sub sun} and 671 M{sub sun}, using these two different energetics algorithms. The mass functions for the isothermal simulations and simulations that include dust heating are drastically different. In themore » isothermal simulation, we do not form any objects with masses above 1 M{sub sun}. However, the simulation with dust heating, while missing some of the low-mass objects, forms high-mass objects ({approx}20 M{sub sun}) which have a distribution similar to the Salpeter initial mass function. The envelope density profiles around the stars formed in our simulation match observed values around isolated, low-mass star-forming cores. We find the accretion rates to be highly variable and, on average, increasing with final stellar mass. By including radiative feedback from stars in a cluster-scale simulation, we have determined that it is a very important effect which drastically affects the mass function and yields important insights into the formation of massive stars.« less

Microstructure engineering of Pt-Al alloy thin films through Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Harris, R. A.; Terblans, J. J.; Swart, H. C.

2014-06-01

A kinetic algorithm, based on the regular solution model, was used in conjunction with the Monte Carlo method to simulate the evolution of a micro-scaled thin film system during exposure to a high temperature environment. Pt-Al thin films were prepared via electron beam physical vapor deposition (EB-PVD) with an atomic concentration ratio of Pt63:Al37. These films were heat treated at an annealing temperature of 400 °C for 16 and 49 minutes. Scanning Auger Microscopy (SAM) (PHI 700) was used to obtain elemental maps while sputtering through the thin films. Simulations were run for the same annealing temperatures and thin-film composition. From these simulations theoretical depth profiles and simulated microstructures were obtained. These were compared to the experimentally measured depth profiles and elemental maps.

A discrete dislocation dynamics model of creeping single crystals

NASA Astrophysics Data System (ADS)

Rajaguru, M.; Keralavarma, S. M.

2018-04-01

Failure by creep is a design limiting issue for metallic materials used in several high temperature applications. Current theoretical models of creep are phenomenological with little connection to the underlying microscopic mechanisms. In this paper, a bottom-up simulation framework based on the discrete dislocation dynamics method is presented for dislocation creep aided by the diffusion of vacancies, known to be the rate controlling mechanism at high temperature and stress levels. The time evolution of the creep strain and the dislocation microstructure in a periodic unit cell of a nominally infinite single crystal is simulated using the kinetic Monte Carlo method, together with approximate constitutive laws formulated for the rates of thermal activation of dislocations over local pinning obstacles. The deformation of the crystal due to dislocation glide between individual thermal activation events is simulated using a standard dislocation dynamics algorithm, extended to account for constant stress periodic boundary conditions. Steady state creep conditions are obtained in the simulations with the predicted creep rates as a function of stress and temperature in good agreement with experimentally reported values. Arrhenius scaling of the creep rates as a function of temperature and power-law scaling with the applied stress are also reproduced, with the values of the power-law exponents in the high stress regime in good agreement with experiments.

Frequency analysis of stress relaxation dynamics in model asphalts

NASA Astrophysics Data System (ADS)

Masoori, Mohammad; Greenfield, Michael L.

2014-09-01

Asphalt is an amorphous or semi-crystalline material whose mechanical performance relies on viscoelastic responses to applied strain or stress. Chemical composition and its effect on the viscoelastic properties of model asphalts have been investigated here by computing complex modulus from molecular dynamics simulation results for two different model asphalts whose compositions each resemble the Strategic Highway Research Program AAA-1 asphalt in different ways. For a model system that contains smaller molecules, simulation results for storage and loss modulus at 443 K reach both the low and high frequency scaling limits of the Maxwell model. Results for a model system composed of larger molecules (molecular weights 300-900 g/mol) with longer branches show a quantitatively higher complex modulus that decreases significantly as temperature increases over 400-533 K. Simulation results for its loss modulus approach the low frequency scaling limit of the Maxwell model at only the highest temperature simulated. A Black plot or van Gurp-Palman plot of complex modulus vs. phase angle for the system of larger molecules suggests some overlap among results at different temperatures for less high frequencies, with an interdependence consistent with the empirical Christensen-Anderson-Marasteanu model. Both model asphalts are thermorheologically complex at very high frequencies, where they show a loss peak that appears to be independent of temperature and density.

Dynamically downscaling predictions for deciduous tree leaf emergence in California under current and future climate.

PubMed

Medvigy, David; Kim, Seung Hee; Kim, Jinwon; Kafatos, Menas C

2016-07-01

Models that predict the timing of deciduous tree leaf emergence are typically very sensitive to temperature. However, many temperature data products, including those from climate models, have been developed at a very coarse spatial resolution. Such coarse-resolution temperature products can lead to highly biased predictions of leaf emergence. This study investigates how dynamical downscaling of climate models impacts simulations of deciduous tree leaf emergence in California. Models for leaf emergence are forced with temperatures simulated by a general circulation model (GCM) at ~200-km resolution for 1981-2000 and 2031-2050 conditions. GCM simulations are then dynamically downscaled to 32- and 8-km resolution, and leaf emergence is again simulated. For 1981-2000, the regional average leaf emergence date is 30.8 days earlier in 32-km simulations than in ~200-km simulations. Differences between the 32 and 8 km simulations are small and mostly local. The impact of downscaling from 200 to 8 km is ~15 % smaller in 2031-2050 than in 1981-2000, indicating that the impacts of downscaling are unlikely to be stationary.

Molecular Dynamics Simulations of the Temperature Induced Unfolding of Crambin Follow the Arrhenius Equation.

PubMed

Dalby, Andrew; Shamsir, Mohd Shahir

2015-01-01

Molecular dynamics simulations have been used extensively to model the folding and unfolding of proteins. The rates of folding and unfolding should follow the Arrhenius equation over a limited range of temperatures. This study shows that molecular dynamic simulations of the unfolding of crambin between 500K and 560K do follow the Arrhenius equation. They also show that while there is a large amount of variation between the simulations the average values for the rate show a very high degree of correlation.

Molecular Dynamics Simulations of the Temperature Induced Unfolding of Crambin Follow the Arrhenius Equation.

PubMed Central

Dalby, Andrew; Shamsir, Mohd Shahir

2015-01-01

Molecular dynamics simulations have been used extensively to model the folding and unfolding of proteins. The rates of folding and unfolding should follow the Arrhenius equation over a limited range of temperatures. This study shows that molecular dynamic simulations of the unfolding of crambin between 500K and 560K do follow the Arrhenius equation. They also show that while there is a large amount of variation between the simulations the average values for the rate show a very high degree of correlation. PMID:26539292

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Large-Eddy Simulations of Noise Generation in Supersonic Jets at Realistic Engine Temperatures

NASA Astrophysics Data System (ADS)

Liu, Junhui; Corrigan, Andrew; Kailasanath, K.; Taylor, Brian

2015-11-01

Large-eddy simulations (LES) have been carried out to investigate the noise generation in highly heated supersonic jets at temperatures similar to those observed in high-performance jet engine exhausts. It is found that the exhaust temperature of high-performance jet engines can range from 1000K at an intermediate power to above 2000K at a maximum afterburning power. In low-temperature jets, the effects of the variation of the specific heat ratio as well as the radial temperature profile near the nozzle exit are small and are ignored, but it is not clear whether those effects can be also ignored in highly heated jets. The impact of the variation of the specific heat ratio is assessed by comparing LES results using a variable specific heat ratio with those using a constant specific heat ratio. The impact on both the flow field and the noise distributions are investigated. Because the total temperature near the nozzle wall can be substantially lower than the nozzle total temperature either due to the heating loss through the nozzle wall or due to the cooling applied near the wall, this lower wall temperature may impact the temperature in the shear layer, and thus impact the noise generation. The impact of the radial temperature profile on the jet noise generation is investigated by comparing results of lower nozzle wall temperatures with those of the adiabatic wall condition.

High Temperature Modification of SNCR Technology and its Impact on NOx Removal Process

NASA Astrophysics Data System (ADS)

Blejchař, Tomáš; Konvička, Jaroslav; von der Heide, Bernd; Malý, Rostislav; Maier, Miloš

2018-06-01

SNCR (Selective non-catalytic reduction) Technology is currently being used to reach the emission limit for nitrogen oxides at fossil fuel fired power plant and/or heating plant and optimum temperature for SNCR process is in range 850 - 1050°C. Modified SNCR technology is able to reach reduction 60% of nitrogen oxides at temperature up to 1250°C. So the technology can also be installed where the flue gas temperature is too high in combustion chamber. Modified SNCR was tested using generally known SNCR chemistry implemented in CFD (Computation fluid dynamics) code. CFD model was focused on detail simulation of reagent injection and influence of flue gas temperature. Than CFD simulation was compared with operating data of boiler where the modified SNCR technology is installed. By comparing the experiment results with the model, the effect on nitrous oxides removal process and temperature of flue gas at the injection region.

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

NASA Astrophysics Data System (ADS)

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

2012-05-01

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

Influence of reanalysis datasets on dynamically downscaling the recent past

NASA Astrophysics Data System (ADS)

Moalafhi, Ditiro B.; Evans, Jason P.; Sharma, Ashish

2017-08-01

Multiple reanalysis datasets currently exist that can provide boundary conditions for dynamic downscaling and simulating local hydro-climatic processes at finer spatial and temporal resolutions. Previous work has suggested that there are two reanalyses alternatives that provide the best lateral boundary conditions for downscaling over southern Africa. This study dynamically downscales these reanalyses (ERA-I and MERRA) over southern Africa to a high resolution (10 km) grid using the WRF model. Simulations cover the period 1981-2010. Multiple observation datasets were used for both surface temperature and precipitation to account for observational uncertainty when assessing results. Generally, temperature is simulated quite well, except over the Namibian coastal plain where the simulations show anomalous warm temperature related to the failure to propagate the influence of the cold Benguela current inland. Precipitation tends to be overestimated in high altitude areas, and most of southern Mozambique. This could be attributed to challenges in handling complex topography and capturing large-scale circulation patterns. While MERRA driven WRF exhibits slightly less bias in temperature especially for La Nina years, ERA-I driven simulations are on average superior in terms of RMSE. When considering multiple variables and metrics, ERA-I is found to produce the best simulation of the climate over the domain. The influence of the regional model appears to be large enough to overcome the small difference in relative errors present in the lateral boundary conditions derived from these two reanalyses.

Non-equilibrium hydrogen ionization in 2D simulations of the solar atmosphere

NASA Astrophysics Data System (ADS)

Leenaarts, J.; Carlsson, M.; Hansteen, V.; Rutten, R. J.

2007-10-01

Context: The ionization of hydrogen in the solar chromosphere and transition region does not obey LTE or instantaneous statistical equilibrium because the timescale is long compared with important hydrodynamical timescales, especially of magneto-acoustic shocks. Since the pressure, temperature, and electron density depend sensitively on hydrogen ionization, numerical simulation of the solar atmosphere requires non-equilibrium treatment of all pertinent hydrogen transitions. The same holds for any diagnostic application employing hydrogen lines. Aims: To demonstrate the importance and to quantify the effects of non-equilibrium hydrogen ionization, both on the dynamical structure of the solar atmosphere and on hydrogen line formation, in particular Hα. Methods: We implement an algorithm to compute non-equilibrium hydrogen ionization and its coupling into the MHD equations within an existing radiation MHD code, and perform a two-dimensional simulation of the solar atmosphere from the convection zone to the corona. Results: Analysis of the simulation results and comparison to a companion simulation assuming LTE shows that: a) non-equilibrium computation delivers much smaller variations of the chromospheric hydrogen ionization than for LTE. The ionization is smaller within shocks but subsequently remains high in the cool intershock phases. As a result, the chromospheric temperature variations are much larger than for LTE because in non-equilibrium, hydrogen ionization is a less effective internal energy buffer. The actual shock temperatures are therefore higher and the intershock temperatures lower. b) The chromospheric populations of the hydrogen n = 2 level, which governs the opacity of Hα, are coupled to the ion populations. They are set by the high temperature in shocks and subsequently remain high in the cool intershock phases. c) The temperature structure and the hydrogen level populations differ much between the chromosphere above photospheric magnetic elements and above quiet internetwork. d) The hydrogen n = 2 population and column density are persistently high in dynamic fibrils, suggesting that these obtain their visibility from being optically thick in Hα also at low temperature. Movie and Appendix A are only available in electronic form at http://www.aanda.org

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

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

PubMed

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

2010-02-01

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

Impact of land cover data on the simulation of urban heat island for Berlin using WRF coupled with bulk approach of Noah-LSM

NASA Astrophysics Data System (ADS)

Li, Huidong; Wolter, Michael; Wang, Xun; Sodoudi, Sahar

2017-09-01

Urban-rural difference of land cover is the key determinant of urban heat island (UHI). In order to evaluate the impact of land cover data on the simulation of UHI, a comparative study between up-to-date CORINE land cover (CLC) and Urban Atlas (UA) with fine resolution (100 and 10 m) and old US Geological Survey (USGS) data with coarse resolution (30 s) was conducted using the Weather Research and Forecasting model (WRF) coupled with bulk approach of Noah-LSM for Berlin. The comparison between old data and new data partly reveals the effect of urbanization on UHI and the historical evolution of UHI, while the comparison between different resolution data reveals the impact of resolution of land cover on the simulation of UHI. Given the high heterogeneity of urban surface and the fine-resolution land cover data, the mosaic approach was implemented in this study to calculate the sub-grid variability in land cover compositions. Results showed that the simulations using UA and CLC data perform better than that using USGS data for both air and land surface temperatures. USGS-based simulation underestimates the temperature, especially in rural areas. The longitudinal variations of both temperature and land surface temperature show good agreement with urban fraction for all the three simulations. To better study the comprehensive characteristic of UHI over Berlin, the UHI curves (UHIC) are developed for all the three simulations based on the relationship between temperature and urban fraction. CLC- and UA-based simulations show smoother UHICs than USGS-based simulation. The simulation with old USGS data obviously underestimates the extent of UHI, while the up-to-date CLC and UA data better reflect the real urbanization and simulate the spatial distribution of UHI more accurately. However, the intensity of UHI simulated by CLC and UA data is not higher than that simulated by USGS data. The simulated air temperature is not dominated by the land cover as much as the land surface temperature, as air temperature is also affected by air advection.

Wide range scaling laws for radiation driven shock speed, wall albedo and ablation parameters for high-Z materials

NASA Astrophysics Data System (ADS)

Mishra, Gaurav; Ghosh, Karabi; Ray, Aditi; Gupta, N. K.

2018-06-01

Radiation hydrodynamic (RHD) simulations for four different potential high-Z hohlraum materials, namely Tungsten (W), Gold (Au), Lead (Pb), and Uranium (U) are performed in order to investigate their performance with respect to x-ray absorption, re-emission and ablation properties, when irradiated by constant temperature drives. A universal functional form is derived for estimating time dependent wall albedo for high-Z materials. Among the high-Z materials studied, it is observed that for a fixed simulation time the albedo is maximum for Au below 250 eV, whereas it is maximum for U above 250 eV. New scaling laws for shock speed vs drive temperature, applicable over a wide temperature range of 100 eV to 500 eV, are proposed based on the physics of x-ray driven stationary ablation. The resulting scaling relation for a reference material Aluminium (Al), shows good agreement with that of Kauffman's power law for temperatures ranging from 100 eV to 275 eV. New scaling relations are also obtained for temperature dependent mass ablation rate and ablation pressure, through RHD simulation. Finally, our study reveals that for temperatures above 250 eV, U serves as a better hohlraum material since it offers maximum re-emission for x-rays along with comparable mass ablation rate. Nevertheless, traditional choice, Au works well for temperatures below 250 eV. Besides inertial confinement fusion (ICF), the new scaling relations may find its application in view-factor codes, which generally ignore atomic physics calculations of opacities and emissivities, details of laser-plasma interaction and hydrodynamic motions.

Optical fibre pressure and temperature sensor system designed for urodynamic applications

NASA Astrophysics Data System (ADS)

Duraibabu, Dineshbabu; Kelly, Niall; Poeggel, Sven; Flood, Hugh; Yuan, Hongwei; Dooly, Gerard; McGrath, Deirdre; Tosi, Daniele; Lewis, Elfed; Leen, Gabriel

2016-05-01

This paper presents an optical fibre pressure and temperature sensor (OFPTS) system, which is adapted for use as a urodynamic pressure measurement system (UPS) for differential pressure measurement with temperature compensation. The OFTPS is based on a Fabry Perot interferometer (FPI), which acts as a pressure sensor and includes an embedded fibre Bragg grating (FBG) for temperature measurement. The sensor system is evaluated in a lower urinary tract (LUT) simulator, which simulates the bladder, rectum and detrusor muscle. The system was benchmarked against a commercially available urodynamic system, at the University Hospital Limerick (UHL) Urology Clinic. Both systems demonstrate a high correlation with a relative pressure variation of less than +/-2.8cmH2O for abdominal and +/-4cmH2O for vesical pressure. The repetitive measurement of the OFPTS system in the LUT simulator against the commercial system demonstrated the high repeatability. Furthermore, the low fabrication cost makes the OFPTS a potentially interesting instrument for urodynamic and other medical applications.

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.

Predicting low-temperature free energy landscapes with flat-histogram Monte Carlo methods

NASA Astrophysics Data System (ADS)

Mahynski, Nathan A.; Blanco, Marco A.; Errington, Jeffrey R.; Shen, Vincent K.

2017-02-01

We present a method for predicting the free energy landscape of fluids at low temperatures from flat-histogram grand canonical Monte Carlo simulations performed at higher ones. We illustrate our approach for both pure and multicomponent systems using two different sampling methods as a demonstration. This allows us to predict the thermodynamic behavior of systems which undergo both first order and continuous phase transitions upon cooling using simulations performed only at higher temperatures. After surveying a variety of different systems, we identify a range of temperature differences over which the extrapolation of high temperature simulations tends to quantitatively predict the thermodynamic properties of fluids at lower ones. Beyond this range, extrapolation still provides a reasonably well-informed estimate of the free energy landscape; this prediction then requires less computational effort to refine with an additional simulation at the desired temperature than reconstruction of the surface without any initial estimate. In either case, this method significantly increases the computational efficiency of these flat-histogram methods when investigating thermodynamic properties of fluids over a wide range of temperatures. For example, we demonstrate how a binary fluid phase diagram may be quantitatively predicted for many temperatures using only information obtained from a single supercritical state.

Simulation of Oil Palm Shell Pyrolysis to Produce Bio-Oil with Self-Pyrolysis Reactor

NASA Astrophysics Data System (ADS)

Fika, R.; Nelwan, L. O.; Yulianto, M.

2018-05-01

A new self-pyrolysis reactor was designed to reduce the utilization of electric heater due to the energy saving for the production of bio-oil from oil palm shell. The yield of the bio- oil was then evaluated with the developed mathematical model by Sharma [1] with the characteristic of oil palm shell [2]. During the simulation, the temperature on the combustion chamber on the release of the bio-oil was utilized to determine the volatile composition from the combustion of the oil palm shell as fuel. The mass flow was assumed constant for three experiments. The model resulted in a significant difference between the simulated bio-oil and experiments. The bio-oil yields from the simulation were 22.01, 16.36, and 21.89 % (d.b.) meanwhile the experimental yields were 10.23, 9.82, and 8.41% (d.b.). The char yield varied from 30.7 % (d.b.) from the simulation to 40.9 % (d.b.) from the experiment. This phenomenon was due to the development of process temperature over time which was not considered as one of the influential factors in producing volatile matters on the simulation model. Meanwhile the real experiments highly relied on the process conditions (reactor type, temperature over time, gas flow). There was also possibilities of the occurrence of the gasification inside the reactor which caused the liquid yield was not as high as simulated. Further simulation model research on producing the bio-oil yield will be needed to predict the optimum condition and temperature development on the newly self-pyrolysis reactor.

Simulating canopy temperature for modelling heat stress in cereals

USDA-ARS?s Scientific Manuscript database

Crop models must be improved to account for the large effects of heat stress effects on crop yields. To date, most approaches in crop models use air temperature despite evidence that crop canopy temperature better explains yield reductions associated with high temperature events. This study presents...

Importance of turbulence-chemistry interactions at low temperature engine conditions

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

Kundu, Prithwish; Ameen, Muhsin M.; Som, Sibendu

The role of turbulence-chemistry interaction in autoignition and flame stabilization is investigated for spray flames at low temperature combustion (LTC) conditions by performing high-fidelity three-dimensional computational fluid dynamics (CFD) simulations. A recently developed Tabulated Flamelet Model (TFM) is coupled with a large eddy simulation (LES) framework and validated across a range of Engine Combustion Network (ECN) ambient temperature conditions for n-dodecane fuel. High resolution grids with 0.0625 mm minimum cell size and 25 million total cell count are implemented using adaptive mesh refinement over the spray and combustion regions. Simulations with these grids and multiple LES realizations, with a 103more » species n-dodecane mechanism show good agreement with experimental data for all the ambient conditions investigated. This modeling approach with the computational cost advantage of tabulated chemistry is then extended towards understanding the auto-ignition and flame stabilization at an ambient temperature of 750 K. These low temperature conditions lead to substantially higher ignition delays and flame liftoff lengths, and significantly leaner combustion compared to conventional high temperature diesel combustion. These conditions also require the simulations to span significantly larger temporal and spatial dimensions thereby increasing the computational cost. The TFM approach is able to capture autoignition and flame liftoff length at the low temperature conditions. Significant differences with respect to mixing, species formation and flame stabilization are observed under low temperature compared to conventional diesel combustion. At higher ambient temperatures, formation of formaldehyde is observed in the rich region (phi > 1) followed by the formation of OH in the stoichiometric regions. Under low temperature conditions, formaldehyde is observed to form at leaner regions followed by the onset of OH formation in significantly lean regions of the flame. Qualitative differences between species formation and transient flame development for the high and low temperature conditions are presented. The two stage ignition process is further investigated by studying the species formation in mixture fraction space by solving 1D flamelet equations for different scalar dissipation rates and homogeneous reactor assumption. Results show that scalar dissipation causes these radicals to diffuse within the mixture fraction space. As a result, this significantly enhances ignition and plays a dominant role at such low temperature conditions which cannot be captured by the homogeneous reaction assumption based model.« less

Importance of turbulence-chemistry interactions at low temperature engine conditions

DOE PAGES

Kundu, Prithwish; Ameen, Muhsin M.; Som, Sibendu

2017-06-08

The role of turbulence-chemistry interaction in autoignition and flame stabilization is investigated for spray flames at low temperature combustion (LTC) conditions by performing high-fidelity three-dimensional computational fluid dynamics (CFD) simulations. A recently developed Tabulated Flamelet Model (TFM) is coupled with a large eddy simulation (LES) framework and validated across a range of Engine Combustion Network (ECN) ambient temperature conditions for n-dodecane fuel. High resolution grids with 0.0625 mm minimum cell size and 25 million total cell count are implemented using adaptive mesh refinement over the spray and combustion regions. Simulations with these grids and multiple LES realizations, with a 103more » species n-dodecane mechanism show good agreement with experimental data for all the ambient conditions investigated. This modeling approach with the computational cost advantage of tabulated chemistry is then extended towards understanding the auto-ignition and flame stabilization at an ambient temperature of 750 K. These low temperature conditions lead to substantially higher ignition delays and flame liftoff lengths, and significantly leaner combustion compared to conventional high temperature diesel combustion. These conditions also require the simulations to span significantly larger temporal and spatial dimensions thereby increasing the computational cost. The TFM approach is able to capture autoignition and flame liftoff length at the low temperature conditions. Significant differences with respect to mixing, species formation and flame stabilization are observed under low temperature compared to conventional diesel combustion. At higher ambient temperatures, formation of formaldehyde is observed in the rich region (phi > 1) followed by the formation of OH in the stoichiometric regions. Under low temperature conditions, formaldehyde is observed to form at leaner regions followed by the onset of OH formation in significantly lean regions of the flame. Qualitative differences between species formation and transient flame development for the high and low temperature conditions are presented. The two stage ignition process is further investigated by studying the species formation in mixture fraction space by solving 1D flamelet equations for different scalar dissipation rates and homogeneous reactor assumption. Results show that scalar dissipation causes these radicals to diffuse within the mixture fraction space. As a result, this significantly enhances ignition and plays a dominant role at such low temperature conditions which cannot be captured by the homogeneous reaction assumption based model.« less

Thermal decomposition of solid phase nitromethane under various heating rates and target temperatures based on ab initio molecular dynamics simulations.

PubMed

Xu, Kai; Wei, Dong-Qing; Chen, Xiang-Rong; Ji, Guang-Fu

2014-10-01

The Car-Parrinello molecular dynamics simulation was applied to study the thermal decomposition of solid phase nitromethane under gradual heating and fast annealing conditions. In gradual heating simulations, we found that, rather than C-N bond cleavage, intermolecular proton transfer is more likely to be the first reaction in the decomposition process. At high temperature, the first reaction in fast annealing simulation is intermolecular proton transfer leading to CH3NOOH and CH2NO2, whereas the initial chemical event at low temperature tends to be a unimolecular C-N bond cleavage, producing CH3 and NO2 fragments. It is the first time to date that the direct rupture of a C-N bond has been reported as the first reaction in solid phase nitromethane. In addition, the fast annealing simulations on a supercell at different temperatures are conducted to validate the effect of simulation cell size on initial reaction mechanisms. The results are in qualitative agreement with the simulations on a unit cell. By analyzing the time evolution of some molecules, we also found that the time of first water molecule formation is clearly sensitive to heating rates and target temperatures when the first reaction is an intermolecular proton transfer.

Thermal effect of laser ablation on the surface of carbon fiber reinforced plastic during laser processing

NASA Astrophysics Data System (ADS)

Ohkubo, Tomomasa; Sato, Yuji; Matsunaga, Ei-ichi; Tsukamoto, Masahiro

2018-02-01

Although laser processing is widely used for many applications, the cutting quality of carbon fiber reinforced plastic (CFRP) decreases around the heat-affected zone (HAZ) during laser processing. Carbon fibers are exposed around the HAZ, and tensile strength decreases with increasing length of the HAZ. Some theoretical studies of thermal conductions that do not consider fluid dynamics have been performed; however, theoretical considerations that include the dynamics of laser ablation are scarce. Using removed mass and depth observed from experiments, the dynamics of laser ablation of CFRP with high-temperature and high-pressure of compressive gas is simulated herein. In this calculation, the mushroom-like shape of laser ablation is qualitatively simulated compared with experiments using a high-speed camera. Considering the removal temperature of the resin and the temperature distribution at each point on the surface, the simulation results suggest that a wide area of the resin is removed when the processing depth is shallow, and a rounded kerf is generated as the processing depth increases.

Improved Heat Dissipation of High-Power LED Lighting by a Lens Plate with Thermally-Conductive Plastics.

PubMed

Lee, Dong Kyu; Park, Hyun Jung; Cha, Yu-Jung; Kim, Hyeong Jin; Kwak, Joon Seop

2018-03-01

The junction temperature of high-power LED lighting was reduced effectively using a lens plate made from a thermally-conductive plastics (TCP). TCP has an excellent thermal conductivity, approximately 5 times that of polymethylmethacrylate (PMMA). Two sets of high-power LED lighting were designed using a multi array LED package with a lens plate for thermal simulation. The difference between two models was the materials of the lens plate. The lens plates of first and second models were fabricated by PMMA (PMMA lighting) and TCP (TCP lighting), respectively. At the lens plate, the simulated temperature of the TCP lighting was higher than that of the PMMA lighting. Near the LED package, the temperature of the TCP lighting was 2 °C lower than that of the PMMA lighting. This was well matched with the measured temperature of the fabricated lighting with TCP and PMMA.

Simulations of the Neutron Gas in the Inner Crust of Neutron Stars

NASA Astrophysics Data System (ADS)

Vandegriff, Elizabeth; Horowitz, Charles; Caplan, Matthew

2017-09-01

Inside neutron stars, the structures known as `nuclear pasta' are found in the crust. This pasta forms near nuclear density as nucleons arrange in spaghetti- or lasagna-like structures to minimize their energy. We run classical molecular dynamics simulations to visualize the geometry of this pasta and study the distribution of nucleons. In the simulations, we observe that the pasta is embedded in a gas of neutrons, which we call the `sauce'. In this work, we developed two methods for determining the density of neutrons in the gas, one which is accurate at low temperatures and a second which justifies an extrapolation at high temperatures. Running simulations with no Coulomb interactions, we find that the neutron density increases linearly with temperature for every proton fraction we simulated. NSF REU Grant PHY-1460882 at Indiana University.

Characterization of ash melting behaviour at high temperatures under conditions simulating combustible solid waste gasification.

PubMed

Niu, Miaomiao; Dong, Qing; Huang, Yaji; Jin, Baosheng; Wang, Hongyan; Gu, Haiming

2018-05-01

To achieve high-temperature gasification-melting of combustible solid waste, ash melting behaviour under conditions simulating high-temperature gasification were studied. Raw ash (RA) and gasified ash (GA) were prepared respectively by waste ashing and fluidized bed gasification. Results of microstructure and composition of the two-ash indicated that GA showed a more porous structure and higher content of alkali and alkali earth metals among metallic elements. Higher temperature promoted GA melting and could reach a complete flowing state at about 1250°C. The order of melting rate of GA under different atmospheres was reducing condition > inert condition > oxidizing condition, which might be related to different existing forms of iron during melting and different flux content with atmosphere. Compared to RA, GA showed lower melting activity at the same condition due to the existence of an unconverted carbon and hollow structure. The melting temperature for sufficient melting and separation of GA should be at least 1250°C in this work.

Modeling and Simulation of - and Silicon Germanium-Base Bipolar Transistors Operating at a Wide Range of Temperatures.

NASA Astrophysics Data System (ADS)

Shaheed, M. Reaz

1995-01-01

Higher speed at lower cost and at low power consumption is a driving force for today's semiconductor technology. Despite a substantial effort toward achieving this goal via alternative technologies such as III-V compounds, silicon technology still dominates mainstream electronics. Progress in silicon technology will continue for some time with continual scaling of device geometry. However, there are foreseeable limits on achievable device performance, reliability and scaling for room temperature technologies. Thus, reduced temperature operation is commonly viewed as a means for continuing the progress towards higher performance. Although silicon CMOS will be the first candidate for low temperature applications, bipolar devices will be used in a hybrid fashion, as line drivers or in limited critical path elements. Silicon -germanium-base bipolar transistors look especially attractive for low-temperature bipolar applications. At low temperatures, various new physical phenomena become important in determining device behavior. Carrier freeze-out effects which are negligible at room temperature, become of crucial importance for analyzing the low temperature device characteristics. The conventional Pearson-Bardeen model of activation energy, used for calculation of carrier freeze-out, is based on an incomplete picture of the physics that takes place and hence, leads to inaccurate results at low temperatures. Plasma -induced bandgap narrowing becomes more pronounced in device characteristics at low temperatures. Even with modern numerical simulators, this effect is not well modeled or simulated. In this dissertation, improved models for such physical phenomena are presented. For accurate simulation of carrier freeze-out, the Pearson-Bardeen model has been extended to include the temperature dependence of the activation energy. The extraction of the model is based on the rigorous, first-principle theoretical calculations available in the literature. The new model is shown to provide consistently accurate values for base sheet resistance for both Si- and SiGe-base transistors over a wide range of temperatures. A model for plasma-induced bandgap narrowing suitable for implementation in a numerical simulator has been developed. The appropriate method of incorporating this model in a drift -diffusion solver is described. The importance of including this model for low temperature simulation is demonstrated. With these models in place, the enhanced simulator has been used for evaluating and designing the Si- and SiGe-base bipolar transistors. Silicon-germanium heterojunction bipolar transistors offer significant performance and cost advantages over conventional technologies in the production of integrated circuits for communications, computer and transportation applications. Their high frequency performance at low cost, will find widespread use in the currently exploding wireless communication market. However, the high performance SiGe-base transistors are prone to have a low common-emitter breakdown voltage. In this dissertation, a modification in the collector design is proposed for improving the breakdown voltage without sacrificing the high frequency performance. A comprehensive simulation study of p-n-p SiGe-base transistors has been performed. Different figures of merit such as drive current, current gain, cut -off frequency and Early voltage were compared between a graded germanium profile and an abrupt germanium profile. The differences in the performance level between the two profiles diminishes as the base width is scaled down.

Characteristics of temporal evolution of particle density and electron temperature in helicon discharge

NASA Astrophysics Data System (ADS)

Yang, Xiong; Cheng, Mousen; Guo, Dawei; Wang, Moge; Li, Xiaokang

2017-10-01

On the basis of considering electrochemical reactions and collision relations in detail, a direct numerical simulation model of a helicon plasma discharge with three-dimensional two-fluid equations was employed to study the characteristics of the temporal evolution of particle density and electron temperature. With the assumption of weak ionization, the Maxwell equations coupled with the plasma parameters were directly solved in the whole computational domain. All of the partial differential equations were solved by the finite element solver in COMSOL MultiphysicsTM with a fully coupled method. In this work, the numerical cases were calculated with an Ar working medium and a Shoji-type antenna. The numerical results indicate that there exist two distinct modes of temporal evolution of the electron and ground atom density, which can be explained by the ion pumping effect. The evolution of the electron temperature is controlled by two schemes: electromagnetic wave heating and particle collision cooling. The high RF power results in a high peak electron temperature while the high gas pressure leads to a low steady temperature. In addition, an OES experiment using nine Ar I lines was conducted using a modified CR model to verify the validity of the results by simulation, showing that the trends of temporal evolution of electron density and temperature are well consistent with the numerically simulated ones.

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

NASA Astrophysics Data System (ADS)

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

2014-04-01

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

Nanocarbon synthesis by high-temperature oxidation of nanoparticles

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

Nomura, Ken-ichi; Kalia, Rajiv K.; Li, Ying

High-temperature oxidation of silicon-carbide nanoparticles (nSiC) underlies a wide range of technologies from high-power electronic switches for efficient electrical grid and thermal protection of space vehicles to self-healing ceramic nanocomposites. Here, multimillion-atom reactive molecular dynamics simulations validated by ab initio quantum molecular dynamics simulations predict unexpected condensation of large graphene flakes during high-temperature oxidation of nSiC. Initial oxidation produces a molten silica shell that acts as an autocatalytic ‘nanoreactor’ by actively transporting oxygen reactants while protecting the nanocarbon product from harsh oxidizing environment. Percolation transition produces porous nanocarbon with fractal geometry, which consists of mostly sp 2 carbons with pentagonalmore » and heptagonal defects. Furthermore, this work suggests a simple synthetic pathway to high surface-area, low-density nanocarbon with numerous energy, biomedical and mechanical-metamaterial applications, including the reinforcement of self-healing composites.« less

Atomization, drop size, and penetration for cross-stream water injection at high-altitude reentry conditions with application to the RAM C-1 and C-3 flights

NASA Technical Reports Server (NTRS)

Gooderum, P. B.; Bushnell, D. M.

1972-01-01

Atomization, drop size, and penetration data are presented for cross stream water injection at conditions simulating high altitude reentry (low Weber number, high static temperature, high Knudsen number, and low static pressure). These results are applied to the RAM C-1 and C-3 flights. Two primary breakup modes are considered, vapor pressure or flashing and aerodynamic atomization. Results are given for breakup boundaries and mean drop size for each of these atomization mechanisms. Both standard and flight orifice geometries are investigated. The data were obtained in both a static environment and in conventional aerodynamic facilities at Mach numbers of 4.5 and 8. The high temperature aspects of reentry were simulated in a Mach 5.5 cyanogen-oxygen tunnel with total temperature of 4500 K.

Nanocarbon synthesis by high-temperature oxidation of nanoparticles

DOE PAGES

Nomura, Ken-ichi; Kalia, Rajiv K.; Li, Ying; ...

2016-04-20

High-temperature oxidation of silicon-carbide nanoparticles (nSiC) underlies a wide range of technologies from high-power electronic switches for efficient electrical grid and thermal protection of space vehicles to self-healing ceramic nanocomposites. Here, multimillion-atom reactive molecular dynamics simulations validated by ab initio quantum molecular dynamics simulations predict unexpected condensation of large graphene flakes during high-temperature oxidation of nSiC. Initial oxidation produces a molten silica shell that acts as an autocatalytic ‘nanoreactor’ by actively transporting oxygen reactants while protecting the nanocarbon product from harsh oxidizing environment. Percolation transition produces porous nanocarbon with fractal geometry, which consists of mostly sp 2 carbons with pentagonalmore » and heptagonal defects. Furthermore, this work suggests a simple synthetic pathway to high surface-area, low-density nanocarbon with numerous energy, biomedical and mechanical-metamaterial applications, including the reinforcement of self-healing composites.« less

Nanocarbon synthesis by high-temperature oxidation of nanoparticles

PubMed Central

Nomura, Ken-ichi; Kalia, Rajiv K.; Li, Ying; Nakano, Aiichiro; Rajak, Pankaj; Sheng, Chunyang; Shimamura, Kohei; Shimojo, Fuyuki; Vashishta, Priya

2016-01-01

High-temperature oxidation of silicon-carbide nanoparticles (nSiC) underlies a wide range of technologies from high-power electronic switches for efficient electrical grid and thermal protection of space vehicles to self-healing ceramic nanocomposites. Here, multimillion-atom reactive molecular dynamics simulations validated by ab initio quantum molecular dynamics simulations predict unexpected condensation of large graphene flakes during high-temperature oxidation of nSiC. Initial oxidation produces a molten silica shell that acts as an autocatalytic ‘nanoreactor’ by actively transporting oxygen reactants while protecting the nanocarbon product from harsh oxidizing environment. Percolation transition produces porous nanocarbon with fractal geometry, which consists of mostly sp2 carbons with pentagonal and heptagonal defects. This work suggests a simple synthetic pathway to high surface-area, low-density nanocarbon with numerous energy, biomedical and mechanical-metamaterial applications, including the reinforcement of self-healing composites. PMID:27095061

Realistic Testing of the Safe Affordable Fission Engine (SAFE-100) Thermal Simulator Using Fiber Bragg Gratings

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

Stinson-Bagby, Kelly L.; Fielder, Robert S.; Van Dyke, Melissa K.

2004-02-04

The motivation for the reported research was to support NASA space nuclear power initiatives through the development of advanced fiber optic sensors for space-based nuclear power applications. Distributed high temperature measurements were made with 20 FBG temperature sensors installed in the SAFE-100 thermal simulator at the NASA Marshal Space Flight Center. Experiments were performed at temperatures approaching 800 deg. C and 1150 deg. C for characterization studies of the SAFE-100 core. Temperature profiles were successfully generated for the core during temperature increases and decreases. Related tests in the SAFE-100 successfully provided strain measurement data.

A ubiquitous ice size bias in simulations of tropical deep convection

NASA Astrophysics Data System (ADS)

Stanford, McKenna W.; Varble, Adam; Zipser, Ed; Strapp, J. Walter; Leroy, Delphine; Schwarzenboeck, Alfons; Potts, Rodney; Protat, Alain

2017-08-01

The High Altitude Ice Crystals - High Ice Water Content (HAIC-HIWC) joint field campaign produced aircraft retrievals of total condensed water content (TWC), hydrometeor particle size distributions (PSDs), and vertical velocity (w) in high ice water content regions of mature and decaying tropical mesoscale convective systems (MCSs). The resulting dataset is used here to explore causes of the commonly documented high bias in radar reflectivity within cloud-resolving simulations of deep convection. This bias has been linked to overly strong simulated convective updrafts lofting excessive condensate mass but is also modulated by parameterizations of hydrometeor size distributions, single particle properties, species separation, and microphysical processes. Observations are compared with three Weather Research and Forecasting model simulations of an observed MCS using different microphysics parameterizations while controlling for w, TWC, and temperature. Two popular bulk microphysics schemes (Thompson and Morrison) and one bin microphysics scheme (fast spectral bin microphysics) are compared. For temperatures between -10 and -40 °C and TWC > 1 g m-3, all microphysics schemes produce median mass diameters (MMDs) that are generally larger than observed, and the precipitating ice species that controls this size bias varies by scheme, temperature, and w. Despite a much greater number of samples, all simulations fail to reproduce observed high-TWC conditions ( > 2 g m-3) between -20 and -40 °C in which only a small fraction of condensate mass is found in relatively large particle sizes greater than 1 mm in diameter. Although more mass is distributed to large particle sizes relative to those observed across all schemes when controlling for temperature, w, and TWC, differences with observations are significantly variable between the schemes tested. As a result, this bias is hypothesized to partly result from errors in parameterized hydrometeor PSD and single particle properties, but because it is present in all schemes, it may also partly result from errors in parameterized microphysical processes present in all schemes. Because of these ubiquitous ice size biases, the frequently used microphysical parameterizations evaluated in this study inherently produce a high bias in convective reflectivity for a wide range of temperatures, vertical velocities, and TWCs.

An Integrated Study on a Novel High Temperature High Entropy Alloy

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

Yang, Shizhong

2016-12-31

This report summarizes our recent works of theoretical modeling, simulation, and experimental validation of the simulation results on the new refractory high entropy alloy (HEA) design and oxide doped refractory HEA research. The simulation of the stability and thermal dynamics simulation on potential thermal stable candidates were performed and related HEA with oxide doped samples were synthesized and characterized. The HEA ab initio density functional theory and molecular dynamics physical property simulation methods and experimental texture validation techniques development, achievements already reached, course work development, students and postdoc training, and future improvement research directions are briefly introduced.

QCD thermodynamics with two flavors at Nt=6

NASA Astrophysics Data System (ADS)

Bernard, Claude; Ogilvie, Michael C.; Degrand, Thomas A.; Detar, Carleton; Gottlieb, Steven; Krasnitz, Alex; Sugar, R. L.; Toussaint, D.

1992-05-01

The first results of numerical simulations of quantum chromodynamics on the Intel iPSC/860 parallel processor are presented. We performed calculations with two flavors of Kogut-Susskind quarks at Nt=6 with masses of 0.15T and 0.075T (0.025 and 0.0125 in lattice units) in order to locate the crossover from the low-temperature regime of ordinary hadronic matter to the high-temperature chirally symmetric regime. As with other recent two-flavor simulations, these calculations are insufficient to distinguish between a rapid crossover and a true phase transition. The phase transition is either absent or feeble at this quark mass. An improved estimate of the crossover temperature in physical units is given and results are presented for the hadronic screening lengths in both the high- and low-temperature regimes.

Bypassing the malfunction junction in warm dense matter simulations

NASA Astrophysics Data System (ADS)

Cangi, Attila; Pribram-Jones, Aurora

2015-03-01

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

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.

The influence of extreme seasonality on lake temperatures during Younger Dryas

NASA Astrophysics Data System (ADS)

Schenk, F.; Stranne, C.; Wohlfarth, B.

2016-12-01

The Younger Dryas cold reversal ( 12.9 to 11.7 kyr BP) is the last abrupt climate change event interrupting the warming of the late deglaciation right before the onset of the Holocene. The spatial pattern of the cooling event seen in proxy data is largely consistent with those of climate simulations and suggests that the Younger Dryas is linked to a significant slowdown of the Atlantic Meridional Overturning Circulation (AMOC). However, despite the strong ocean cooling of up to 6 K along the European coasts and a significant southward extension of sea-ice during the Younger Dryas, different climate simulations do not reproduce summer cooling over Europe as seen in July lake temperature reconstructions based on chironomids. Aquatic plants used as climate indicator species do in contrast not show such a strong cooling and are more in line with climate simulations. To investigate this discrepancy, we use two numerical lake models driven by high resolution climate model output for the Younger Dryas and the preceding warm period of the late Alleröd ( 13 kyr BP). First, we investigate to which extent simulated lake temperatures in summer still reflect atmospheric summer temperatures despite a strong increase in seasonality during Younger Dryas. Because the (paleo-)lake depths are usually not well known, we use the lake models to test their sensitivity to changes in seasonality as a function of depth. Second, we artificially change the temperatures used as forcing for the lake models to investigate how cold air temperatures would need to be to match the up to 5 K July cooling suggested by chironomids. The results show that more care needs to be taken about the location and (paleo-)lake depths when comparing lake temperatures with simulated air temperatures. The simulated atmospheric circulation patterns during summer appears to be rather insensitive to the Younger Dryas cooling owing to the dominance of high atmospheric pressure over the Euro-Atlantic region. This would support a recent study linking extremely cold North Atlantic Ocean temperature anomalies to severe heat waves in Europe since the 1980s (Duchez et al. 2016, ERL, Vol. 11, No. 7).

Late Cretaceous climate simulations with different CO2 levels and subarctic gateway configurations: A model-data comparison

NASA Astrophysics Data System (ADS)

Niezgodzki, Igor; Knorr, Gregor; Lohmann, Gerrit; Tyszka, Jarosław; Markwick, Paul J.

2017-09-01

We investigate the impact of different CO2 levels and different subarctic gateway configurations on the surface temperatures during the latest Cretaceous using the Earth System Model COSMOS. The simulated temperatures are compared with the surface temperature reconstructions based on a recent compilation of the latest Cretaceous proxies. In our numerical experiments, the CO2 level ranges from 1 to 6 times the preindustrial (PI) CO2 level of 280 ppm. On a global scale, the most reasonable match between modeling and proxy data is obtained for the experiments with 3 to 5 × PI CO2 concentrations. However, the simulated low- (high-) latitude temperatures are too high (low) as compared to the proxy data. The moderate CO2 levels scenarios might be more realistic, if we take into account proxy data and the dead zone effect criterion. Furthermore, we test if the model-data discrepancies can be caused by too simplistic proxy-data interpretations. This is distinctly seen at high latitudes, where most proxies are biased toward summer temperatures. Additional sensitivity experiments with different ocean gateway configurations and constant CO2 level indicate only minor surface temperatures changes (< 1°C) on a global scale, with higher values (up to 8°C) on a regional scale. These findings imply that modeled and reconstructed temperature gradients are to a large degree only qualitatively comparable, providing challenges for the interpretation of proxy data and/or model sensitivity. With respect to the latter, our results suggest that an assessment of greenhouse worlds is best constrained by temperatures in the midlatitudes.

The influence of temperature on ozone production under varying NOx conditions - a modelling study

NASA Astrophysics Data System (ADS)

Coates, Jane; Mar, Kathleen A.; Ojha, Narendra; Butler, Tim M.

2016-09-01

Surface ozone is a secondary air pollutant produced during the atmospheric photochemical degradation of emitted volatile organic compounds (VOCs) in the presence of sunlight and nitrogen oxides (NOx). Temperature directly influences ozone production through speeding up the rates of chemical reactions and increasing the emissions of VOCs, such as isoprene, from vegetation. In this study, we used an idealised box model with different chemical mechanisms (Master Chemical Mechanism, MCMv3.2; Common Representative Intermediates, CRIv2; Model for OZone and Related Chemical Tracers, MOZART-4; Regional Acid Deposition Model, RADM2; Carbon Bond Mechanism, CB05) to examine the non-linear relationship between ozone, NOx and temperature, and we compared this to previous observational studies. Under high-NOx conditions, an increase in ozone from 20 to 40 °C of up to 20 ppbv was due to faster reaction rates, while increased isoprene emissions added up to a further 11 ppbv of ozone. The largest inter-mechanism differences were obtained at high temperatures and high-NOx emissions. CB05 and RADM2 simulated more NOx-sensitive chemistry than MCMv3.2, CRIv2 and MOZART-4, which could lead to different mitigation strategies being proposed depending on the chemical mechanism. The increased oxidation rate of emitted VOC with temperature controlled the rate of Ox production; the net influence of peroxy nitrates increased net Ox production per molecule of emitted VOC oxidised. The rate of increase in ozone mixing ratios with temperature from our box model simulations was about half the rate of increase in ozone with temperature observed over central Europe or simulated by a regional chemistry transport model. Modifying the box model set-up to approximate stagnant meteorological conditions increased the rate of increase of ozone with temperature as the accumulation of oxidants enhanced ozone production through the increased production of peroxy radicals from the secondary degradation of emitted VOCs. The box model simulations approximating stagnant conditions and the maximal ozone production chemical regime reproduced the 2 ppbv increase in ozone per degree Celsius from the observational and regional model data over central Europe. The simulated ozone-temperature relationship was more sensitive to mixing than the choice of chemical mechanism. Our analysis suggests that reductions in NOx emissions would be required to offset the additional ozone production due to an increase in temperature in the future.

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.

Simulation of Laser Induced Thermal Damage in Nd:YVO4 Crystals

NASA Astrophysics Data System (ADS)

Nagi, Richie

Neodymium-doped yttrium orthovanadate (Nd:YVO4) is a commonly used gain medium in Diode Pumped Solid State (DPSS) lasers, but high heat loading of Nd:YVO4 at high pump powers (≥ 5 W) leads to thermal distortions and crystal fracture, which limits the utility of Nd:YVO 4 for high power applications. In this thesis, a Nd:YVO4 crystal suffered thermal damage during experiments for investigating the optical gain characteristics of the crystal. This thesis examines the thermal damage mechanisms in detail. Principally, laser induced melting, as well as laser induced thermal stress fracture were studied, all in the absence of stimulated emission in the crystal. The optical system for coupling the pump laser light into the crystal was first simulated in Zemax, an optical design software, and the simulations were then compared to the experimental coupling efficiency results, which were found to be in agreement. The simulations for the laser coupling system were then used in conjunction with LASCAD, a finite element analysis software, to obtain the temperatures inside the crystal, as a function of optical power coupled into the crystal. The temperature simulations were then compared to the experimental results, which were in excellent agreement, and the temperature simulations were then generalized to other crystal geometries and Nd doping levels. Zemax and LASCAD were also used to simulate the thermal stress in the crystal as a function of the coupled optical power, and the simulations were compared to experiments, both of which were found to be in agreement. The thermal stress simulations were then generalized to different crystal geometries and Nd doping levels as well.

Single Particle Jumps in Sheared SiO2

NASA Astrophysics Data System (ADS)

McMahon, Sean; Vollmayr-Lee, Katharina; Cookmeyer, Jonathan; Horbach, Juergen

We study the dynamics of a sheared glass via molecular dynamics simulations. Using the BKS potential we simulate the strong glass former SiO2. The system is initially well equilibrated at a high temperature, then quenched to a temperature below the glass transition, and, after a waiting time at the desired low temperature, sheared with constant strain rate. We present preliminary results of an analysis of single particle trajectories of the sheared glass. We acknowledge the support via NSF REU Grant #PHY-1156964, DoD ASSURE program, and NSF-MRI CHE-1229354 as part of the MERCURY high-performance computer consortium. We thank G.P. Shrivastav, Ch. Scherer and B. Temelso.

Elastic precursor wave decay in shock-compressed aluminum over a wide range of temperature

NASA Astrophysics Data System (ADS)

Austin, Ryan A.

2018-01-01

The effect of temperature on the dynamic flow behavior of aluminum is considered in the context of precursor wave decay measurements and simulations. In this regard, a dislocation-based model of high-rate metal plasticity is brought into agreement with previous measurements of evolving wave profiles at 300 to 933 K, wherein the amplification of the precursor structure with temperature arises naturally from the dislocation mechanics treatment. The model suggests that the kinetics of inelastic flow and stress relaxation are governed primarily by phonon scattering and radiative damping (sound wave emission from dislocation cores), both of which intensify with temperature. The manifestation of these drag effects is linked to low dislocation density ahead of the precursor wave and the high mobility of dislocations in the face-centered cubic lattice. Simulations performed using other typical models of shock wave plasticity do not reproduce the observed temperature-dependence of elastic/plastic wave structure.

Temperature, Sowing and Harvest Dates, and Yield of Maize in the Southwestern US

NASA Astrophysics Data System (ADS)

Kafatos, M.; Stack, D.; Myoung, B.; Kim, S. H.; Kim, J.

2014-12-01

Since sowing date of maize is sensitive to climate variability and changes, it is of a practical importance to examine how sowing dates affect maize yields in various temperature regimes in the southwestern US. A 21-year (1991-2011) simulation of maize yield using Agricultural Production Systems sIMulator (APSIM) with observed meteorological forcing, shows that earlier sowing dates are favorable for higher yields primarily by increasing the length of growing season in cold mountaineous regions. In these regions, warmer conditions in the sowing period tend to advance the sowing date and then enhance yield. Over low-elevation warm regions, yields are less correlated with sowing dates and the length of growing season, perhaps because growing season temperatures are high enough for fast growth. Instead, in the warm regions, maize yields are sensitive to temperature variations during the late growing season due to adverse effects of extreme high temperature events on maize development.

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

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

Experimental investigation on circumferential and axial temperature gradient over fuel channel under LOCA

NASA Astrophysics Data System (ADS)

Yadav, Ashwini Kumar; kumar, Ravi; Gupta, Akhilesh; Chatterjee, Barun; Mukhopadhyay, Deb; Lele, H. G.

2014-06-01

In a nuclear reactor temperature rises drastically in fuel channels under loss of coolant accident due to failure of primary heat transportation system. Present investigation has been carried out to capture circumferential and axial temperature gradients during fully and partially voiding conditions in a fuel channel using 19 pin fuel element simulator. A series of experiments were carried out by supplying power to outer, middle and center rods of 19 pin fuel simulator in ratio of 1.4:1.1:1. The temperature at upper periphery of pressure tube (PT) was slightly higher than at bottom due to increase in local equivalent thermal conductivity from top to bottom of PT. To simulate fully voided conditions PT was pressurized at 2.0 MPa pressure with 17.5 kW power injection. Ballooning initiated from center and then propagates towards the ends and hence axial temperature difference has been observed along the length of PT. For asymmetric heating, upper eight rods of fuel simulator were activated and temperature difference up-to 250 °C has been observed from top to bottom periphery of PT. Such situation creates steep circumferential temperature gradient over PT and could lead to breaching of PT under high pressure.

Efficient numerical simulation of heat storage in subsurface georeservoirs

NASA Astrophysics Data System (ADS)

Boockmeyer, A.; Bauer, S.

2015-12-01

The transition of the German energy market towards renewable energy sources, e.g. wind or solar power, requires energy storage technologies to compensate for their fluctuating production. Large amounts of energy could be stored in georeservoirs such as porous formations in the subsurface. One possibility here is to store heat with high temperatures of up to 90°C through borehole heat exchangers (BHEs) since more than 80 % of the total energy consumption in German households are used for heating and hot water supply. Within the ANGUS+ project potential environmental impacts of such heat storages are assessed and quantified. Numerical simulations are performed to predict storage capacities, storage cycle times, and induced effects. For simulation of these highly dynamic storage sites, detailed high-resolution models are required. We set up a model that accounts for all components of the BHE and verified it using experimental data. The model ensures accurate simulation results but also leads to large numerical meshes and thus high simulation times. In this work, we therefore present a numerical model for each type of BHE (single U, double U and coaxial) that reduces the number of elements and the simulation time significantly for use in larger scale simulations. The numerical model includes all BHE components and represents the temporal and spatial temperature distribution with an accuracy of less than 2% deviation from the fully discretized model. By changing the BHE geometry and using equivalent parameters, the simulation time is reduced by a factor of ~10 for single U-tube BHEs, ~20 for double U-tube BHEs and ~150 for coaxial BHEs. Results of a sensitivity study that quantify the effects of different design and storage formation parameters on temperature distribution and storage efficiency for heat storage using multiple BHEs are then shown. It is found that storage efficiency strongly depends on the number of BHEs composing the storage site, their distance and the cycle time. The temperature distribution is most sensitive to thermal conductivity of both borehole grouting and storage formation while storage efficiency is mainly controlled by the thermal conductivity of the storage formation.

Vegetation-induced warming of high-latitude regions during the Late Cretaceous period

NASA Astrophysics Data System (ADS)

Otto-Bliesner, Bette L.; Upchurch, Garland R.

1997-02-01

Modelling studies of pre-Quaternary (>2 million years ago) climate implicate atmospheric carbon dioxide concentrations1, land elevation2 and land-sea distribution3-5 as important factors influencing global climate change over geological timescales. But during times of global warmth, such as the Cretaceous period and Eocene epoch, there are large discrepancies between model simulations of high-latitude and continental-interior temperatures and those indicated by palaeotemperature records6,7. Here we use a global climate model for the latest Cretaceous (66 million years ago) to examine the role played by high- and middle-latitude forests in surface temperature regulation. In our simulations, this forest vegetation warms the global climate by 2.2 °C. The low-albedo deciduous forests cause high-latitude land areas to warm, which then transfer more heat to adjacent oceans, thus delaying sea-ice formation and increasing winter temperatures over coastal land. Overall, the inclusion of some of the physical and physiological climate feedback effects of high-latitude forest vegetation in our simulations reduces the existing discrepancies between observed and modelled climates of the latest Cretaceous, suggesting that these forests may have made an important contribution to climate regulation during periods of global warmth.

Effect of Temperature Cycling and Exposure to Extreme Temperatures on Reliability of Solid Tantalum Capacitors

NASA Technical Reports Server (NTRS)

Teverovsky, Alexander

2007-01-01

In this work, results of multiple temperature cycling (TC) (up to 1,000 cycles) of different types of solid tantalum capacitors are analyzed and reported. Deformation of chip tantalum during temperature variations simulating reflow soldering conditions was measured to evaluate the possibility of the pop-corning effect in the parts. To simulate the effect of short-time exposures to solder reflow temperatures on the reliability of tantalum capacitors, several part types were subjected to multiple cycles (up to 100) between room temperature and 240 C with periodical measurements of electrical characteristics of the parts. Mechanisms of degradation caused by temperature cycling and exposure to high temperatures, and the requirements of MIL-PRF-55365 for assessment of the resistance of the parts to soldering heat are discussed.

Manufacture of Cryoshroud Surfaces for Space Simulation Chambers

NASA Technical Reports Server (NTRS)

Ash, Gary S.

2008-01-01

Environmental test chambers for space applications use internal shrouds to simulate temperature conditions encountered in space. Shroud temperatures may range from +150 C to -253 C (20 K), and internal surfaces are coated with special high emissivity/absorptivity paints. To obtain temperature uniformity over large areas, detailed thermal design is required for placement of tubing for gaseous or liquid nitrogen and helium and other exotic heat exchange fluids. The recent increase in space simulation activity related to the James Webb Space Telescope has led to the design of new cryogenic shrouds to meet critical needs in instrument package testing. This paper will review the design and manufacturing of shroud surfaces for several of these programs, including fabrication methods and the selection and application of paints for simulation chambers.

Atomistic clustering-ordering and high-strain deformation of an Al0.1CrCoFeNi high-entropy alloy

PubMed Central

Sharma, Aayush; Singh, Prashant; Johnson, Duane D.; Liaw, Peter K.; Balasubramanian, Ganesh

2016-01-01

Computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-Jones potential in classical molecular-dynamics simulations. The simulation results are validated by a comparison to first-principles Korringa-Kohn-Rostoker (KKR) - Coherent Potential Approximation (CPA) [KKR-CPA] calculations for the HEA structural properties (lattice constants and bulk moduli), relative stability, pair probabilities, and high-temperature short-range ordering. The simulation (MD)-derived properties are in quantitative agreement with KKR-CPA calculations (first-principles) and experiments. We study AlxCrCoFeNi for Al ranging from 0 ≤ x ≤2 mole fractions, and find that the HEA shows large chemical clustering over a wide temperature range for x < 0.5. At various temperatures high-strain compression promotes atomistic rearrangements in Al0.1CrCoFeNi, resulting in a clustering-to-ordering transition that is absent for tensile loading. Large fluctuations under stress, and at higher temperatures, are attributed to the thermo-plastic instability in Al0.1CrCoFeNi. PMID:27498807

Atomistic clustering-ordering and high-strain deformation of an Al 0.1CrCoFeNi high-entropy alloy

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

Sharma, Aayush; Singh, Prashant; Johnson, Duane D.

2016-08-08

Here, computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-Jones potential in classical molecular-dynamics simulations. The simulation results are validated by a comparison to first-principles Korringa-Kohn-Rostoker (KKR) - Coherent Potential Approximation (CPA) [KKR-CPA] calculations for the HEA structural properties (lattice constants and bulk moduli), relative stability, pair probabilities, and high-temperature short-range ordering. The simulation (MD)-derived propertiesmore » are in quantitative agreement with KKR-CPA calculations (first-principles) and experiments. We study Al xCrCoFeNi for Al ranging from 0 ≤ x ≤2 mole fractions, and find that the HEA shows large chemical clustering over a wide temperature range for x < 0.5. At various temperatures high-strain compression promotes atomistic rearrangements in Al 0.1CrCoFeNi, resulting in a clustering-to-ordering transition that is absent for tensile loading. Large fluctuations under stress, and at higher temperatures, are attributed to the thermo-plastic instability in Al 0.1CrCoFeNi.« less

Idealized modeling of convective organization with changing sea surface temperatures using multiple equilibria in weak temperature gradient simulations

NASA Astrophysics Data System (ADS)

Sentić, Stipo; Sessions, Sharon L.

2017-06-01

The weak temperature gradient (WTG) approximation is a method of parameterizing the influences of the large scale on local convection in limited domain simulations. WTG simulations exhibit multiple equilibria in precipitation; depending on the initial moisture content, simulations can precipitate or remain dry for otherwise identical boundary conditions. We use a hypothesized analogy between multiple equilibria in precipitation in WTG simulations, and dry and moist regions of organized convection to study tropical convective organization. We find that the range of wind speeds that support multiple equilibria depends on sea surface temperature (SST). Compared to the present SST, low SSTs support a narrower range of multiple equilibria at higher wind speeds. In contrast, high SSTs exhibit a narrower range of multiple equilibria at low wind speeds. This suggests that at high SSTs, organized convection might occur with lower surface forcing. To characterize convection at different SSTs, we analyze the change in relationships between precipitation rate, atmospheric stability, moisture content, and the large-scale transport of moist entropy and moisture with increasing SSTs. We find an increase in large-scale export of moisture and moist entropy from dry simulations with increasing SST, which is consistent with a strengthening of the up-gradient transport of moisture from dry regions to moist regions in organized convection. Furthermore, the changes in diagnostic relationships with SST are consistent with more intense convection in precipitating regions of organized convection for higher SSTs.

Numerical simulations of crystal growth in a transdermal drug delivery system

NASA Astrophysics Data System (ADS)

Zeng, Jianming; Jacob, Karl I.; Tikare, Veena

2004-02-01

Grain growth by precipitation and Ostwald ripening in an unstressed matrix of a dissolved crystallizable component was simulated using a kinetic Monte Carlo model. This model was used previously to study Ostwald ripening in the high crystallizable component regime and was shown to correctly simulate solution, diffusion and precipitation. In this study, the same model with modifications was applied to the low crystallizable regime of interest to the transdermal drug delivery system (TDS) community. We demonstrate the model's utility by simulating precipitation and grain growth during isothermal storage at different supersaturation conditions. The simulation results provide a first approximation for the crystallization occurring in TDS. It has been reported that for relatively higher temperature growth of drug crystals in TDS occurs only in the middle third of the polymer layer. The results from the simulations support these findings that crystal growth is limited to the middle third of the region, where the availability of crystallizable components is the highest, for cluster growth at relatively high temperature.

Model-based estimation of adiabatic flame temperature during coal gasification

NASA Astrophysics Data System (ADS)

Sarigul, Ihsan Mert

Coal gasification temperature distribution in the gasifier is one of the important issues. High temperature may increase the risk of corrosion of the gasifier wall or it may cause an increase in the amount of volatile compounds. At the same time, gasification temperature is a dominant factor for high conversion of products and completing the reactions during coal gasification in a short time. In the light of this information it can be said that temperature is one of key parameters of coal gasification to enhance the production of high heating value syngas and maximize refractory longevity. This study aims to predict the adiabatic flame temperatures of Australian bituminous coal and Indonesian roto coal in an entrained flow gasifier using different operating conditions with the ChemCAD simulation and design program. To achieve these objectives, two types of gasification parameters were carried out using simulation of a vertical entrained flow reactor: oxygen-to-coal feed ratio by kg/kg and pressure and steam-to-coal feed ratio by kg/kg and pressure. In the first part of study the adiabatic flame temperatures, coal gasification products and other coal characteristics of two types of coals were determined using ChemCAD software. During all simulations, coal feed rate, coal particle size, initial temperature of coal, water and oxygen were kept constant. The relationships between flame temperature, coal gasification products and operating parameters were fundamentally investigated. The second part of this study addresses the modeling of the flame temperature relation to methane production and other input parameters used previous chapter. The scope of this work was to establish a reasonable model in order to estimate flame temperature without any theoretical calculation. Finally, sensitivity analysis was performed after getting some basic correlations between temperature and input variables. According to the results, oxygen-to-coal feed ratio has the most influential effect on adiabatic flame temperature.

Thermophilic anaerobic digestion in compact systems: investigations by modern microbiological techniques and mathematical simulation.

PubMed

Lübken, M; Wichern, M; Letsiou, I; Kehl, O; Bischof, F; Horn, H

2007-01-01

Thermophilic anaerobic digestion in compact systems can be an economical and ecological reasonable decentralised process technique, especially for rural areas. Thermophilic process conditions are important for a sufficient removal of pathogens. The high energy demand, however, can make such systems unfavourable in terms of energy costs. This is the case when low concentrated wastewater is treated or the system is operated at low ambient temperatures. In this paper we present experimental results of a compact thermophilic anaerobic system obtained with fluorescent in situ hybridisation (FISH) analysis and mathematical simulation. The system was operated with faecal sludge for a period of 135 days and with a model substrate consisting of forage and cellulose for a period of 60 days. The change in the microbial community due to the two different substrates treated could be well observed by the FISH analysis. The Anaerobic Digestion Model no. 1 (ADM1) was used to evaluate system performance at different temperature conditions. The model was extended to contribute to decreased methanogenic activity at lower temperatures and was used to calculate energy production. A model was developed to calculate the major parts of energy consumed by the digester itself at different temperature conditions. It was demonstrated by the simulation study that a reduction of the process temperature can lead to higher net energy yield. The simulation study additionally showed that the effect of temperature on the energy yield is higher when a substrate is treated with high protein content.

Evaluation of simulated tropical convective updraft hydrometeor properties using aircraft observations

NASA Astrophysics Data System (ADS)

Stanford, McKenna W.

The High Altitude Ice Crystals - High Ice Water Content (HAIC-HIWC) field campaign produced aircraft retrievals of total condensed water content (TWC), hydrometeor particle size distributions, and vertical velocity (w) in high ice water content regions of tropical mesoscale convective systems (MCSs). These observations are used to evaluate deep convective updraft properties in high-resolution nested Weather Research and Forecasting (WRF) simulations of observed MCSs. Because simulated hydrometeor properties are highly sensitive to the parameterization of microphysics, three commonly used microphysical parameterizations are tested, including two bulk schemes (Thompson and Morrison) and one bin scheme (Fast Spectral Bin Microphysics). A commonly documented bias in cloud-resolving simulations is the exaggeration of simulated radar reflectivities aloft in tropical MCSs. This may result from overly strong convective updrafts that loft excessive condensate mass and from simplified approximations of hydrometeor size distributions, properties, species separation, and microphysical processes. The degree to which the reflectivity bias is a separate function of convective dynamics, condensate mass, and hydrometeor size has yet to be addressed. This research untangles these components by comparing simulated and observed relationships between w, TWC, and hydrometer size as a function of temperature. All microphysics schemes produce median mass diameters that are generally larger than observed for temperatures between -10 °C and -40 °C and TWC > 1 g m-3. Observations produce a prominent mode in the composite mass size distribution around 300 microm, but under most conditions, all schemes shift the distribution mode to larger sizes. Despite a much greater number of samples, all simulations fail to reproduce observed high TWC or high w conditions between -20 °C and -40 °C in which only a small fraction of condensate mass is found in relatively large particle sizes. Increasing model resolution and employing explicit cloud droplet nucleation decrease the size bias, but not nearly enough to reproduce observations. Because simulated particle sizes are too large across all schemes when controlling for temperature, w, and TWC, this bias is hypothesized to partly result from errors in parameterized microphysical processes in addition to overly simplified hydrometeor properties such as mass-size relationships and particle size distribution parameters.

Molecular dynamic simulations of the high-speed copper nanoparticles collision with the aluminum surface

NASA Astrophysics Data System (ADS)

Pogorelko, V. V.; Mayer, A. E.

2016-11-01

With the use of the molecular dynamic simulations, we investigated the effect of the high-speed (500 m/s, 1000 m/s) copper nanoparticle impact on the mechanical properties of an aluminum surface. Dislocation analysis shows that a large number of dislocations are formed in the impact area; the total length of dislocations is determined not only by the speed and size of the incoming copper nanoparticle (kinetic energy of the nanoparticle), but by a temperature of the system as well. The dislocations occupy the whole area of the aluminum single crystal at high kinetic energy of the nanoparticle. With the decrease of the nanoparticle kinetic energy, the dislocation structures are formed in the near-surface layer; formation of the dislocation loops takes place. Temperature rise of the system (aluminum substrate + nanoparticle) reduces the total dislocation length in the single crystal of aluminum; there is deeper penetration of the copper atoms in the aluminum at high temperatures. Average energy of the nanoparticles and room temperature of the system are optimal for production of high-quality layers of copper on the aluminum surface.

Retrieval of Precipitation Profiles from Multiresolution, Multifrequency, Active and Passive Microwave Observations

NASA Technical Reports Server (NTRS)

Grecu, Mircea; Anagnostou, Emmanouil N.; Olson, William S.; Starr, David OC. (Technical Monitor)

2002-01-01

In this study, a technique for estimating vertical profiles of precipitation from multifrequency, multiresolution active and passive microwave observations is investigated using both simulated and airborne data. The technique is applicable to the Tropical Rainfall Measuring Mission (TRMM) satellite multi-frequency active and passive observations. These observations are characterized by various spatial and sampling resolutions. This makes the retrieval problem mathematically more difficult and ill-determined because the quality of information decreases with decreasing resolution. A model that, given reflectivity profiles and a small set of parameters (including the cloud water content, the intercept drop size distribution, and a variable describing the frozen hydrometeor properties), simulates high-resolution brightness temperatures is used. The high-resolution simulated brightness temperatures are convolved at the real sensor resolution. An optimal estimation procedure is used to minimize the differences between simulated and observed brightness temperatures. The retrieval technique is investigated using cloud model synthetic and airborne data from the Fourth Convection And Moisture Experiment. Simulated high-resolution brightness temperatures and reflectivities and airborne observation strong are convolved at the resolution of the TRMM instruments and retrievals are performed and analyzed relative to the reference data used in observations synthesis. An illustration of the possible use of the technique in satellite rainfall estimation is presented through an application to TRMM data. The study suggests improvements in combined active and passive retrievals even when the instruments resolutions are significantly different. Future work needs to better quantify the retrievals performance, especially in connection with satellite applications, and the uncertainty of the models used in retrieval.

CALCINATION AND SINTERING MODELS FOR APPLICATION TO HIGH-TEMPERATURE, SHORT-TIME SULFATION OF CALCIUM-BASED SORBENTS

EPA Science Inventory

To simulate the staged availability of transient high surface area CaO observed in high-temperature flow-reactor data, the rate of calcination of CaCO3 or Ca(OH)2 is described by an empirical modification of the shrinking-core model. The physical model depicts particle decomposi...

Simulation of Transcritical CO2 Refrigeration System with Booster Hot Gas Bypass in Tropical Climate

NASA Astrophysics Data System (ADS)

Santosa, I. D. M. C.; Sudirman; Waisnawa, IGNS; Sunu, PW; Temaja, IW

2018-01-01

A Simulation computer becomes significant important for performance analysis since there is high cost and time allocation to build an experimental rig, especially for CO2 refrigeration system. Besides, to modify the rig also need additional cos and time. One of computer program simulation that is very eligible to refrigeration system is Engineering Equation System (EES). In term of CO2 refrigeration system, environmental issues becomes priority on the refrigeration system development since the Carbon dioxide (CO2) is natural and clean refrigerant. This study aims is to analysis the EES simulation effectiveness to perform CO2 transcritical refrigeration system with booster hot gas bypass in high outdoor temperature. The research was carried out by theoretical study and numerical analysis of the refrigeration system using the EES program. Data input and simulation validation were obtained from experimental and secondary data. The result showed that the coefficient of performance (COP) decreased gradually with the outdoor temperature variation increasing. The results show the program can calculate the performance of the refrigeration system with quick running time and accurate. So, it will be significant important for the preliminary reference to improve the CO2 refrigeration system design for the hot climate temperature.

Phase field modeling of rapid crystallization in the phase-change material AIST

NASA Astrophysics Data System (ADS)

Tabatabaei, Fatemeh; Boussinot, Guillaume; Spatschek, Robert; Brener, Efim A.; Apel, Markus

2017-07-01

We carry out phase field modeling as a continuum simulation technique in order to study rapid crystallization processes in the phase-change material AIST (Ag4In3Sb67Te26). In particular, we simulate the spatio-temporal evolution of the crystallization of a molten area of the phase-change material embedded in a layer stack. The simulation model is adapted to the experimental conditions used for recent measurements of crystallization rates by a laser pulse technique. Simulations are performed for substrate temperatures close to the melting temperature of AIST down to low temperatures when an amorphous state is involved. The design of the phase field model using the thin interface limit allows us to retrieve the two limiting regimes of interface controlled (low temperatures) and thermal transport controlled (high temperatures) dynamics. Our simulations show that, generically, the crystallization velocity presents a maximum in the intermediate regime where both the interface mobility and the thermal transport, through the molten area as well as through the layer stack, are important. Simulations reveal the complex interplay of all different contributions. This suggests that the maximum switching velocity depends not only on material properties but also on the precise design of the thin film structure into which the phase-change material is embedded.

Influence of GaAs substrate properties on the congruent evaporation temperature

NASA Astrophysics Data System (ADS)

Spirina, A. A.; Nastovjak, A. G.; Shwartz, N. L.

2018-03-01

High-temperature annealing of GaAs(111)A and GaAs(111)B substrates under Langmuir evaporation conditions was studied using Monte Carlo simulation. The maximal value of the congruent evaporation temperature was estimated. The congruent evaporation temperature was demonstrated to be dependent on the surface orientation and concentration of surface defects.

A Method to Measure and Estimate Normalized Contrast in Infrared Flash Thermography

NASA Technical Reports Server (NTRS)

Koshti, Ajay M.

2016-01-01

The paper presents further development in normalized contrast processing used in flash infrared thermography method. Method of computing normalized image or pixel intensity contrast, and normalized temperature contrast are provided. Methods of converting image contrast to temperature contrast and vice versa are provided. Normalized contrast processing in flash thermography is useful in quantitative analysis of flash thermography data including flaw characterization and comparison of experimental results with simulation. Computation of normalized temperature contrast involves use of flash thermography data acquisition set-up with high reflectivity foil and high emissivity tape such that the foil, tape and test object are imaged simultaneously. Methods of assessing other quantitative parameters such as emissivity of object, afterglow heat flux, reflection temperature change and surface temperature during flash thermography are also provided. Temperature imaging and normalized temperature contrast processing provide certain advantages over normalized image contrast processing by reducing effect of reflected energy in images and measurements, therefore providing better quantitative data. Examples of incorporating afterglow heat-flux and reflection temperature evolution in flash thermography simulation are also discussed.

Optical ray tracing method for simulating beam-steering effects during laser diagnostics in turbulent media.

PubMed

Wang, Yejun; Kulatilaka, Waruna D

2017-04-10

In most coherent spectroscopic methods used in gas-phase laser diagnostics, multiple laser beams are focused and crossed at a specific location in space to form the probe region. The desired signal is then generated as a result of nonlinear interactions between the beams in this overlapped region. When such diagnostic schemes are implemented in practical devices having turbulent reacting flow fields with refractive index gradients, the resulting beam steering can give rise to large measurement uncertainties. The objective of this work is to simulate beam-steering effects arising from pressure and temperature gradients in gas-phase media using an optical ray tracing approach. The ZEMAX OpticStudio software package is used to simulate the beam crossing and uncrossing effects in the presence of pressure and temperature gradients, specifically the conditions present in high-pressure, high-temperature combustion devices such as gas turbine engines. Specific cases involving two-beam and three-beam crossing configurations are simulated. The model formulation, the effects of pressure and temperature gradients, and the resulting beam-steering effects are analyzed. The results show that thermal gradients in the range of 300-3000 K have minimal effects, while pressure gradients in the range of 1-50 atm result in pronounced beam steering and the resulting signal fluctuations in the geometries investigated. However, with increasing pressures, the temperature gradients can also have a pronounced effect on the resultant signal levels.

A general strategy for performing temperature-programming in high performance liquid chromatography--further improvements in the accuracy of retention time predictions of segmented temperature gradients.

PubMed

Wiese, Steffen; Teutenberg, Thorsten; Schmidt, Torsten C

2012-01-27

In the present work it is shown that the linear elution strength (LES) model which was adapted from temperature-programming gas chromatography (GC) can also be employed for systematic method development in high-temperature liquid chromatography (HT-HPLC). The ability to predict isothermal retention times based on temperature-gradient as well as isothermal input data was investigated. For a small temperature interval of ΔT=40°C, both approaches result in very similar predictions. Average relative errors of predicted retention times of 2.7% and 1.9% were observed for simulations based on isothermal and temperature-gradient measurements, respectively. Concurrently, it was investigated whether the accuracy of retention time predictions of segmented temperature gradients can be further improved by temperature dependent calculation of the parameter S(T) of the LES relationship. It was found that the accuracy of retention time predictions of multi-step temperature gradients can be improved to around 1.5%, if S(T) was also calculated temperature dependent. The adjusted experimental design making use of four temperature-gradient measurements was applied for systematic method development of selected food additives by high-temperature liquid chromatography. Method development was performed within a temperature interval from 40°C to 180°C using water as mobile phase. Two separation methods were established where selected food additives were baseline separated. In addition, a good agreement between simulation and experiment was observed, because an average relative error of predicted retention times of complex segmented temperature gradients less than 5% was observed. Finally, a schedule of recommendations to assist the practitioner during systematic method development in high-temperature liquid chromatography was established. Copyright © 2011 Elsevier B.V. All rights reserved.

Molecular dynamics simulations of fluoropolymers in the solid state

NASA Astrophysics Data System (ADS)

Holt, David Bryan

1998-10-01

Molecular mechanics and dynamics simulations have been utilized to address the behavior of helix reversal defects in fluoropolymers. The results of the simulations confirm that helix reversals do form and migrate in PTFE crystals. The most important defect structure is a helix reversal band: two helix reversals which bracker a small chain segment (typically 6-7 backbone atoms) having the opposite helical sense from the parent molecule. Small reversal bands had velocities ranging between 100 m/s (low temperature)-250 m/s (high temperature). The size of this reversal band defect is dependent upon the helical conformation and is equal to approximately half of the helical repeat unit in the low and intermediate temperature phases. In the high temperature phase where intermolecular effects are diminished, a wider distribution of reversal band sizes was observed during the simulations. A mechanism is identified by which significant reorientation of a chain segment about the molecular axis can occur when it is bracketed by two helix reversal bands. Simulations with a model containing a perfluoromethyl (PFM) group at low temperature showed that the presence of the PFM group significantly restricts chain mobility locally. However, a significant reduction in the helix reversal defect density was observed on neighboring chains as well. During simulations in which a shear deformation was applied to the models with and without a PFM group, an increase in reversal defect density was observed. However, the helix reversal density in the sheared model containing the PFM branch was less than that in the model without a PFM branch under no shear. These data implicate helix reversal defects and associated chain segment motions in the mechanical behavior of fluoropolymer materials.

A new method of field MRTD test

NASA Astrophysics Data System (ADS)

Chen, Zhibin; Song, Yan; Liu, Xianhong; Xiao, Wenjian

2014-09-01

MRTD is an important indicator to measure the imaging performance of infrared camera. In the traditional laboratory test, blackbody is used as simulated heat source which is not only expensive and bulky but also difficult to meet field testing requirements of online automatic infrared camera MRTD. To solve this problem, this paper introduces a new detection device for MRTD, which uses LED as a simulation heat source and branded plated zinc sulfide glass carved four-bar target as a simulation target. By using high temperature adaptability cassegrain collimation system, the target is simulated to be distance-infinite so that it can be observed by the human eyes to complete the subjective test, or collected to complete objective measurement by image processing. This method will use LED to replace blackbody. The color temperature of LED is calibrated by thermal imager, thereby, the relation curve between the LED temperature controlling current and the blackbody simulation temperature difference is established, accurately achieved the temperature control of the infrared target. Experimental results show that the accuracy of the device in field testing of thermal imager MRTD can be limited within 0.1K, which greatly reduces the cost to meet the project requirements with a wide application value.

An in-depth analysis of temperature effect on DIBL in UTBB FD SOI MOSFETs based on experimental data, numerical simulations and analytical models

NASA Astrophysics Data System (ADS)

Pereira, A. S. N.; de Streel, G.; Planes, N.; Haond, M.; Giacomini, R.; Flandre, D.; Kilchytska, V.

2017-02-01

The Drain Induced Barrier Lowering (DIBL) behavior in Ultra-Thin Body and Buried oxide (UTBB) transistors is investigated in details in the temperature range up to 150 °C, for the first time to the best of our knowledge. The analysis is based on experimental data, physical device simulation, compact model (SPICE) simulation and previously published models. Contrary to MASTAR prediction, experiments reveal DIBL increase with temperature. Physical device simulations of different thin-film fully-depleted (FD) devices outline the generality of such behavior. SPICE simulations, with UTSOI DK2.4 model, only partially adhere to experimental trends. Several analytic models available in the literature are assessed for DIBL vs. temperature prediction. Although being the closest to experiments, Fasarakis' model overestimates DIBL(T) dependence for shortest devices and underestimates it for upsized gate lengths frequently used in ultra-low-voltage (ULV) applications. This model is improved in our work, by introducing a temperature-dependent inversion charge at threshold. The improved model shows very good agreement with experimental data, with high gain in precision for the gate lengths under test.

Stationary temperature profiles in a liquid nanochannel: Comparisons between molecular-dynamics simulation and classical hydrostatics

NASA Astrophysics Data System (ADS)

Okumura, Hisashi; Heyes, David M.

2006-12-01

We compare the results of three-dimensional molecular-dynamics (MD) simulations of a Lennard-Jones (LJ) liquid with a hydrostatic (HS) solution of a high temperature liquid channel which is surrounded by a fluid at lower temperature. The maximum temperature gradient, dT/dx , between the two temperature regions ranged from ∞ (step function) to dT/dx=0.1 (in the usual LJ units). Because the systems were in stationary-nonequilibrium states with no fluid flow, both MD simulation and the HS solution gave flat profiles for the normal pressure in all temperature-gradient cases. However, the other quantities showed differences between the two methods. The MD-derived density was found to oscillate over the length of ca. 8 LJ particle diameters from the boundary plane in the system with the infinite temperature gradient, while the HS-derived density showed simply a stepwise profile. The MD simulation also showed another anomaly near the boundary in potential energy. We have found systems in which the HS treatment works well and those where the HS approach breaks down, and therefore established the minimum length scale for the HS treatment to be valid. We also compare the kinetic temperature and the configurational temperature in these systems, and show that these can differ in the transition zone between the two temperatures.

Stationary temperature profiles in a liquid nanochannel: comparisons between molecular-dynamics simulation and classical hydrostatics.

PubMed

Okumura, Hisashi; Heyes, David M

2006-12-01

We compare the results of three-dimensional molecular-dynamics (MD) simulations of a Lennard-Jones (LJ) liquid with a hydrostatic (HS) solution of a high temperature liquid channel which is surrounded by a fluid at lower temperature. The maximum temperature gradient, dT/dx , between the two temperature regions ranged from infinity (step function) to dT/dx=0.1 (in the usual LJ units). Because the systems were in stationary-nonequilibrium states with no fluid flow, both MD simulation and the HS solution gave flat profiles for the normal pressure in all temperature-gradient cases. However, the other quantities showed differences between the two methods. The MD-derived density was found to oscillate over the length of ca. 8 LJ particle diameters from the boundary plane in the system with the infinite temperature gradient, while the HS-derived density showed simply a stepwise profile. The MD simulation also showed another anomaly near the boundary in potential energy. We have found systems in which the HS treatment works well and those where the HS approach breaks down, and therefore established the minimum length scale for the HS treatment to be valid. We also compare the kinetic temperature and the configurational temperature in these systems, and show that these can differ in the transition zone between the two temperatures.

An Assessment of Molecular Dynamic Force Fields for Silica for Use in Simulating Laser Damage Mitigation

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

Soules, T F; Gilmer, G H; Matthews, M J

2010-10-21

We compare force fields (FF's) that have been used in molecular dynamic (MD) simulations of silica in order to assess their applicability for use in simulating IR-laser damage mitigation. Although pairwise FF?s obtained by fitting quantum mechanical calculations such as the BKS and CHIK potentials have been shown to reproduce many of the properties of silica including the stability of silica polymorphs and the densification of the liquid, we show that melting temperatures and fictive temperatures are much too high. Softer empirical force fields give liquid and glass properties at experimental temperatures but may not predict all properties important tomore » laser mitigation experiments.« less

Development of laboratory test methods to replace the simulated high-temperature grout fluidity test.

DOT National Transportation Integrated Search

2014-06-01

This report contains a summary of the research performed to develop a replacement for the high-temperature grout : fluidity (HTGF) test. The HTGF test was employed in the past by FDOT to qualify post-tensioning (PT) grouts for use in : post-tensioned...

Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30

NASA Astrophysics Data System (ADS)

Adidharma, Hertanto; Tan, Sugata P.

2016-07-01

Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T∗ ≤ 1.20) and high densities (0.96 ≤ ρ∗ ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to provide accurate thermodynamic properties, which enables us to distinguish the properties of FCC from that of HCP LJ solids with confidence, despite their close similarities. Free-energy expressions derived from the simulation results are also proposed, not only to describe the properties of those individual structures but also the FCC-liquid, FCC-vapor, and FCC-HCP solid phase equilibria.

Characterization of the Protein Unfolding Processes Induced by Urea and Temperature

PubMed Central

Rocco, Alessandro Guerini; Mollica, Luca; Ricchiuto, Piero; Baptista, António M.; Gianazza, Elisabetta; Eberini, Ivano

2008-01-01

Correct folding is critical for the biological activities of proteins. As a contribution to a better understanding of the protein (un)folding problem, we studied the effect of temperature and of urea on peptostreptococcal Protein L destructuration. We performed standard molecular dynamics simulations at 300 K, 350 K, 400 K, and 480 K, both in 10 M urea and in water. Protein L followed at least two alternative unfolding pathways. Urea caused the loss of secondary structure acting preferentially on the β-sheets, while leaving the α-helices almost intact; on the contrary, high temperature preserved the β-sheets and led to a complete loss of the α-helices. These data suggest that urea and high temperature act through different unfolding mechanisms, and protein secondary motives reveal a differential sensitivity to various denaturant treatments. As further validation of our results, replica-exchange molecular dynamics simulations of the temperature-induced unfolding process in the presence of urea were performed. This set of simulations allowed us to compute the thermodynamical parameters of the process and confirmed that, in the configurational space of Protein L unfolding, both of the above pathways are accessible, although to a different relative extent. PMID:18065481

A Method for Obtaining High Frequency, Global, IR-Based Convective Cloud Tops for Studies of the TTL

NASA Technical Reports Server (NTRS)

Pfister, Leonhard; Ueyama, Rei; Jensen, Eric; Schoeberl, Mark

2017-01-01

Models of varying complexity that simulate water vapor and clouds in the Tropical Tropopause Layer (TTL) show that including convection directly is essential to properly simulating the water vapor and cloud distribution. In boreal winter, for example, simulations without convection yield a water vapor distribution that is too uniform with longitude, as well as minimal cloud distributions. Two things are important for convective simulations. First, it is important to get the convective cloud top potential temperature correctly, since unrealistically high values (reaching above the cold point tropopause too frequently) will cause excessive hydration of the stratosphere. Second, one must capture the time variation as well, since hydration by convection depends on the local relative humidity (temperature), which has substantial variation on synoptic time scales in the TTL. This paper describes a method for obtaining high frequency (3-hourly) global convective cloud top distributions which can be used in trajectory models. The method uses rainfall thresholds, standard IR brightness temperatures, meteorological temperature analyses, and physically realistic and documented corrections IR brightness temperature corrections to derive cloud top altitudes and potential temperatures. The cloud top altitudes compare well with combined CLOUDSAT and CALIPSO data, both in time-averaged overall vertical and horizontal distributions and in individual cases (correlations of .65-.7). An important finding is that there is significant uncertainty (nearly .5 km) in evaluating the statistical distribution of convective cloud tops even using lidar. Deep convection whose tops are in regions of high relative humidity (such as much of the TTL), will cause clouds to form above the actual convection. It is often difficult to distinguish these clouds from the actual convective cloud due to the uncertainties of evaluating ice water content from lidar measurements. Comparison with models show that calculated cloud top altitudes are generally higher than those calculated by global analyses (e.g., MERRA). Interannual variability in the distribution of convective cloud top altitudes is also investigated.

Observations and statistical simulations of a proposed solar cycle/QBO/weather relationship

NASA Technical Reports Server (NTRS)

Baldwin, Mark P.; Dunkerton, Timothy J.

1989-01-01

The 10.7-cm solar flux is observed to be highly correlated with North Pole stratospheric temperatures when partitioned according to the phase of the equatorial stratospheric winds (the quasi-biennial oscillation, or QBO). Calculations show that temperatures over most of the Northern Hemisphere are highly correlated or anticorrelated with North Pole temperatures. The observed spatial pattern of solar-cycle correlations at high latitudes is shown to be not unique to the solar cycle.

Simulations of magnetic hysteresis loops at high temperatures

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

Plumer, M. L.; Whitehead, J. P.; Fal, T. J.

2014-09-28

The kinetic Monte-Carlo algorithm as well as standard micromagnetics are used to simulate MH loops of high anisotropy magnetic recording media at both short and long time scales over a wide range of temperatures relevant to heat-assisted magnetic recording. Microscopic parameters, common to both methods, were determined by fitting to experimental data on single-layer FePt-based media that uses the Magneto-Optic Kerr effect with a slow sweep rate of 700 Oe/s. Saturation moment, uniaxial anisotropy, and exchange constants are given an intrinsic temperature dependence based on published atomistic simulations of FePt grains with an effective Curie temperature of 680 K. Ourmore » results show good agreement between micromagnetics and kinetic Monte Carlo results over a wide range of sweep rates. Loops at the slow experimental sweep rates are found to become more square-shaped, with an increasing slope, as temperature increases from 300 K. These effects also occur at higher sweep rates, typical of recording speeds, but are much less pronounced. These results demonstrate the need for accurate determination of intrinsic thermal properties of future recording media as input to micromagnetic models as well as the sensitivity of the switching behavior of thin magnetic films to applied field sweep rates at higher temperatures.« less

Simulating natural light and temperature cycles in the laboratory reveals differential effects on activity/rest rhythm of four Drosophilids.

PubMed

Prabhakaran, Priya M; Sheeba, Vasu

2014-10-01

Recent studies under semi-natural conditions have revealed various unique features of activity/rest rhythms in Drosophilids that differ from those under standard laboratory conditions. An additional afternoon peak (A-peak) has been reported for Drosophila melanogaster and another species D. malerkotliana while D. ananassae exhibited mostly unimodal diurnal activity. To tease apart the role of light and temperature in mediating these species-specific behaviours of four Drosophilid species D. melanogaster, D. malerkotliana, D. ananassae, and Zaprionus indianus we simulated gradual natural light and/or temperature cycles conditions in laboratory. The pattern observed under semi-natural conditions could be reproduced in the laboratory for all the species under a variety of simulated conditions. D. melanogaster and D. malerkotliana showed similar patterns where as D. ananassae consistently exhibited predominant morning activity under almost all regimes. Z. indianus showed clearly rhythmic activity mostly when temperature cycles were provided. We find that gradually changing light intensities reaching a sufficiently high peak value can elicit A-peak in D. melanogaster, D. malerkotliana, and D. ananassae even at mild ambient temperature. Furthermore, we show that high mid-day temperature could induce A-peak in all species even under constant light conditions suggesting that this A-peak is likely to be a stress response.

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

NASA Astrophysics Data System (ADS)

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

2017-03-01

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

INNOVATIVE INSTRUMENTATION AND ANALYSIS OF THE TEMPERATURE MEASUREMENT FOR HIGH TEMPERATURE GASIFICATION

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

Seong W. Lee

During this reporting period, the literature survey including the gasifier temperature measurement literature, the ultrasonic application and its background study in cleaning application, and spray coating process are completed. The gasifier simulator (cold model) testing has been successfully conducted. Four factors (blower voltage, ultrasonic application, injection time intervals, particle weight) were considered as significant factors that affect the temperature measurement. The Analysis of Variance (ANOVA) was applied to analyze the test data. The analysis shows that all four factors are significant to the temperature measurements in the gasifier simulator (cold model). The regression analysis for the case with the normalizedmore » room temperature shows that linear model fits the temperature data with 82% accuracy (18% error). The regression analysis for the case without the normalized room temperature shows 72.5% accuracy (27.5% error). The nonlinear regression analysis indicates a better fit than that of the linear regression. The nonlinear regression model's accuracy is 88.7% (11.3% error) for normalized room temperature case, which is better than the linear regression analysis. The hot model thermocouple sleeve design and fabrication are completed. The gasifier simulator (hot model) design and the fabrication are completed. The system tests of the gasifier simulator (hot model) have been conducted and some modifications have been made. Based on the system tests and results analysis, the gasifier simulator (hot model) has met the proposed design requirement and the ready for system test. The ultrasonic cleaning method is under evaluation and will be further studied for the gasifier simulator (hot model) application. The progress of this project has been on schedule.« less

Thermal-Hydrology Simulations of Disposal of High-Level Radioactive Waste in a Single Deep Borehole

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

Hadgu, Teklu; Stein, Emily; Hardin, Ernest

2015-11-01

Simulations of thermal-hydrology were carried out for the emplacement of spent nuclear fuel canisters and cesium and strontium capsules using the PFLOTRAN simulator. For the cesium and strontium capsules the analysis looked at disposal options such as different disposal configurations and surface aging of waste to reduce thermal effects. The simulations studied temperature and fluid flux in the vicinity of the borehole. Simulation results include temperature and vertical flux profiles around the borehole at selected depths. Of particular importance are peak temperature increases, and fluxes at the top of the disposal zone. Simulations of cesium and strontium capsule disposal predictmore » that surface aging and/or emplacement of the waste at the top of the disposal zone reduces thermal effects and vertical fluid fluxes. Smaller waste canisters emplaced over a longer disposal zone create the smallest thermal effect and vertical fluid fluxes no matter the age of the waste or depth of emplacement.« less

Atomistic modeling of high temperature uranium-zirconium alloy structure and thermodynamics

NASA Astrophysics Data System (ADS)

Moore, A. P.; Beeler, B.; Deo, C.; Baskes, M. I.; Okuniewski, M. A.

2015-12-01

A semi-empirical Modified Embedded Atom Method (MEAM) potential is developed for application to the high temperature body-centered-cubic uranium-zirconium alloy (γ-U-Zr) phase and employed with molecular dynamics (MD) simulations to investigate the high temperature thermo-physical properties of U-Zr alloys. Uranium-rich U-Zr alloys (e.g. U-10Zr) have been tested and qualified for use as metallic nuclear fuel in U.S. fast reactors such as the Integral Fast Reactor and the Experimental Breeder Reactors, and are a common sub-system of ternary metallic alloys like U-Pu-Zr and U-Zr-Nb. The potential was constructed to ensure that basic properties (e.g., elastic constants, bulk modulus, and formation energies) were in agreement with first principles calculations and experimental results. After which, slight adjustments were made to the potential to fit the known thermal properties and thermodynamics of the system. The potentials successfully reproduce the experimental melting point, enthalpy of fusion, volume change upon melting, thermal expansion, and the heat capacity of pure U and Zr. Simulations of the U-Zr system are found to be in good agreement with experimental thermal expansion values, Vegard's law for the lattice constants, and the experimental enthalpy of mixing. This is the first simulation to reproduce the experimental thermodynamics of the high temperature γ-U-Zr metallic alloy system. The MEAM potential is then used to explore thermodynamics properties of the high temperature U-Zr system including the constant volume heat capacity, isothermal compressibility, adiabatic index, and the Grüneisen parameters.

Coupled long term simulation of reach scale water and heat fluxes across the river groundwater interface and hyporheic temperature dynamics

NASA Astrophysics Data System (ADS)

Munz, Matthias; Oswald, Sascha E.; Schmidt, Christian

2017-04-01

Flow pattern and seasonal as well as diurnal temperature variations control ecological and biogeochemical conditions in hyporheic sediments. In particular, hyporheic temperatures have a great impact on many microbial processes. In this study we used 3-D coupled water flow and heat transport simulations applying the HydroGeoSphere code in combination with high frequent observations of hydraulic heads and temperatures for quantifying reach scale water and heat flux across the river groundwater interface and hyporheic temperature dynamics of a lowland gravel-bed river. The magnitude and dynamics of simulated temperatures matched the observed with an average mean absolute error of 0.7 °C and an average Nash Sutcliffe Efficiency of 0.87. Our results highlight that the average temperature in the hyporheic zone follows the temperature in the river which is characterized by distinct seasonal and daily temperature cycles. Individual hyporheic flow path temperature substantially varies around the average hyporheic temperature. Hyporheic flow path temperature was found to strongly depend on the flow path residence time and the temperature gradient between river and groundwater; that is, in winter the average flow path temperature of long flow paths is potentially higher compared to short flow paths. Based on the simulation results we derived a general empirical relationship, estimating the influence of hyporheic flow path residence time on hyporheic flow path temperature. Furthermore we used an empirical temperature relationship between effective temperature and respiration rate to estimate the influence of hyporheic flow path residence time and temperature on hyporheic oxygen consumption. This study highlights the relation between complex hyporheic temperature patterns, hyporheic residence times and their implications on temperature sensitive biogeochemical processes.

Large eddy simulation of the low temperature ignition and combustion processes on spray flame with the linear eddy model

NASA Astrophysics Data System (ADS)

Wei, Haiqiao; Zhao, Wanhui; Zhou, Lei; Chen, Ceyuan; Shu, Gequn

2018-03-01

Large eddy simulation coupled with the linear eddy model (LEM) is employed for the simulation of n-heptane spray flames to investigate the low temperature ignition and combustion process in a constant-volume combustion vessel under diesel-engine relevant conditions. Parametric studies are performed to give a comprehensive understanding of the ignition processes. The non-reacting case is firstly carried out to validate the present model by comparing the predicted results with the experimental data from the Engine Combustion Network (ECN). Good agreements are observed in terms of liquid and vapour penetration length, as well as the mixture fraction distributions at different times and different axial locations. For the reacting cases, the flame index was introduced to distinguish between the premixed and non-premixed combustion. A reaction region (RR) parameter is used to investigate the ignition and combustion characteristics, and to distinguish the different combustion stages. Results show that the two-stage combustion process can be identified in spray flames, and different ignition positions in the mixture fraction versus RR space are well described at low and high initial ambient temperatures. At an initial condition of 850 K, the first-stage ignition is initiated at the fuel-lean region, followed by the reactions in fuel-rich regions. Then high-temperature reaction occurs mainly at the places with mixture concentration around stoichiometric mixture fraction. While at an initial temperature of 1000 K, the first-stage ignition occurs at the fuel-rich region first, then it moves towards fuel-richer region. Afterwards, the high-temperature reactions move back to the stoichiometric mixture fraction region. For all of the initial temperatures considered, high-temperature ignition kernels are initiated at the regions richer than stoichiometric mixture fraction. By increasing the initial ambient temperature, the high-temperature ignition kernels move towards richer mixture regions. And after the spray flames gets quasi-steady, most heat is released at the stoichiometric mixture fraction regions. In addition, combustion mode analysis based on key intermediate species illustrates three-mode combustion processes in diesel spray flames.

Temperature and pressure effects on GFP mutants: explaining spectral changes by molecular dynamics simulations and TD-DFT calculations.

PubMed

Jacchetti, Emanuela; Gabellieri, Edi; Cioni, Patrizia; Bizzarri, Ranieri; Nifosì, Riccardo

2016-05-14

By combining spectroscopic measurements under high pressure with molecular dynamics simulations and quantum mechanics calculations we investigate how sub-angstrom structural perturbations are able to tune protein function. We monitored the variations in fluorescence output of two green fluorescent protein mutants (termed Mut2 and Mut2Y, the latter containing the key T203Y mutation) subjected to pressures up to 600 MPa, at various temperatures in the 280-320 K range. By performing 150 ns molecular dynamics simulations of the protein structures at various pressures, we evidenced subtle changes in conformation and dynamics around the light-absorbing chromophore. Such changes explain the measured spectral tuning in the case of the sizable 120 cm(-1) red-shift observed for pressurized Mut2Y, but absent in Mut2. Previous work [Barstow et al., Proc. Natl. Acad. Sci. U. S. A., 2008, 105, 13362] on pressure effects on GFP also involved a T203Y mutant. On the basis of cryocooling X-ray crystallography, the pressure-induced fluorescence blue shift at low temperature (77 K) was attributed to key changes in relative conformation of the chromophore and Tyr203 phenol ring. At room temperature, however, a red shift was observed at high pressure, analogous to the one we observe in Mut2Y. Our investigation of structural variations in compressed Mut2Y also explains their result, bridging the gap between low-temperature and room-temperature high-pressure effects.

Ultra-low power high temperature and radiation hard complementary metal-oxide-semiconductor (CMOS) silicon-on-insulator (SOI) voltage reference.

PubMed

Boufouss, El Hafed; Francis, Laurent A; Kilchytska, Valeriya; Gérard, Pierre; Simon, Pascal; Flandre, Denis

2013-12-13

This paper presents an ultra-low power CMOS voltage reference circuit which is robust under biomedical extreme conditions, such as high temperature and high total ionized dose (TID) radiation. To achieve such performances, the voltage reference is designed in a suitable 130 nm Silicon-on-Insulator (SOI) industrial technology and is optimized to work in the subthreshold regime of the transistors. The design simulations have been performed over the temperature range of -40-200 °C and for different process corners. Robustness to radiation was simulated using custom model parameters including TID effects, such as mobilities and threshold voltages degradation. The proposed circuit has been tested up to high total radiation dose, i.e., 1 Mrad (Si) performed at three different temperatures (room temperature, 100 °C and 200 °C). The maximum drift of the reference voltage V(REF) depends on the considered temperature and on radiation dose; however, it remains lower than 10% of the mean value of 1.5 V. The typical power dissipation at 2.5 V supply voltage is about 20 μW at room temperature and only 75 μW at a high temperature of 200 °C. To understand the effects caused by the combination of high total ionizing dose and temperature on such voltage reference, the threshold voltages of the used SOI MOSFETs were extracted under different conditions. The evolution of V(REF) and power consumption with temperature and radiation dose can then be explained in terms of the different balance between fixed oxide charge and interface states build-up. The total occupied area including pad-ring is less than 0.09 mm2.

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.

Can uncertainties in sea ice albedo reconcile patterns of data-model discord for the Pliocene and 20th/21st centuries?

USGS Publications Warehouse

Howell, Fergus W.; Haywood, Alan M.; Dolan, Aisling M.; Dowsett, Harry J.; Francis, Jane E; Hill, Daniel J.; Pickering, Steven J.; Pope, James O.; Salzmann, Ulrich; Wade, Bidget S

2014-01-01

General Circulation Model simulations of the mid-Pliocene warm period (mPWP, 3.264 to 3.025 Myr ago) currently underestimate the level of warming that proxy data suggest existed at high latitudes, with discrepancies of up to 11°C for sea surface temperature estimates and 17°C for surface air temperature estimates. Sea ice has a strong influence on high-latitude climates, partly due to the albedo feedback. We present results demonstrating the effects of reductions in minimum sea ice albedo limits in general circulation model simulations of the mPWP. While mean annual surface air temperature increases of up to 6°C are observed in the Arctic, the maximum decrease in model-data discrepancies is just 0.81°C. Mean annual sea surface temperatures increase by up to 2°C, with a maximum model-data discrepancy improvement of 1.31°C. It is also suggested that the simulation of observed 21st century sea ice decline could be influenced by the adjustment of the sea ice albedo parameterization.

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.

Numerical simulation of high intensity focused ultrasound temperature distribution for transcranial brain therapy

NASA Astrophysics Data System (ADS)

Zhang, Qian; Wang, Yizhe; Zhou, Wenzheng; Zhang, Ji; Jian, Xiqi

2017-03-01

To provide a reference for the HIFU clinical therapeutic planning, the temperature distribution and lesion volume are analyzed by the numerical simulation. The adopted numerical simulation is based on a transcranial ultrasound therapy model, including an 8 annular-element curved phased array transducer. The acoustic pressure and temperature elevation are calculated by using the approximation of Westervelt Formula and the Pennes Heat Transfer Equation. In addition, the Time Reversal theory and eliminating hot spot technique are combined to optimize the temperature distribution. With different input powers and exposure times, the lesion volume is evaluated based on temperature threshold theory. The lesion region could be restored at the expected location by the time reversal theory. Although the lesion volume reduces after eliminating the peak temperature in the skull and more input power and exposure time is required, the injury of normal tissue around skull could be reduced during the HIFU therapy. The prediction of thermal deposition in the skull and the lesion region could provide a reference for clinical therapeutic dose.

Spread in the magnitude of climate model interdecadal global temperature variability traced to disagreements over high-latitude oceans

NASA Astrophysics Data System (ADS)

Brown, Patrick T.; Li, Wenhong; Jiang, Jonathan H.; Su, Hui

2016-12-01

Unforced variability in global mean surface air temperature can obscure or exaggerate global warming on interdecadal time scales; thus, understanding both the magnitude and generating mechanisms of such variability is of critical importance for both attribution studies as well as decadal climate prediction. Coupled atmosphere-ocean general circulation models (climate models) simulate a wide range of magnitudes of unforced interdecadal variability in global mean surface air temperature (UITglobal), hampering efforts to quantify the influence of UITglobal on contemporary global temperature trends. Recently, a preliminary consensus has emerged that unforced interdecadal variability in local surface temperatures (UITlocal) over the tropical Pacific Ocean is particularly influential on UITglobal. Therefore, a reasonable hypothesis might be that the large spread in the magnitude of UITglobal across climate models can be explained by the spread in the magnitude of simulated tropical Pacific UITlocal. Here we show that this hypothesis is mostly false. Instead, the spread in the magnitude of UITglobal is linked much more strongly to the spread in the magnitude of UITlocal over high-latitude regions characterized by significant variability in oceanic convection, sea ice concentration, and energy flux at both the surface and the top of the atmosphere. Thus, efforts to constrain the climate model produced range of UITglobal magnitude would be best served by focusing on the simulation of air-sea interaction at high latitudes.

A gyrokinetic perspective on the JET-ILW pedestal

NASA Astrophysics Data System (ADS)

Hatch, D. R.; Kotschenreuther, M.; Mahajan, S.; Valanju, P.; Liu, X.

2017-03-01

JET has been unable to recover historical confinement levels when operating with an ITER-like wall (ILW) due largely to the inaccessibility of high pedestal temperatures. Finding a path to overcome this challenge is of utmost importance for both a prospective JET DT campaign and for future ITER operation. Gyrokinetic simulations (using the Gene code) quantitatively capture experimental transport levels for a representative experimental discharge and qualitatively recover the major experimental trends. Microtearing turbulence is a major transport mechanisms for the low-temperature pedestals characteristic of unseeded JET-ILW discharges. At higher temperatures and/or lower {ρ\\ast} , we identify electrostatic ITG transport of a type that is strongly shear-suppressed on smaller machines. Consistent with observations, this transport mechanism is strongly reduced by the presence of a low-Z impurity (e.g. carbon or nitrogen at the level of {{Z}\\text{eff}}∼ 2 ), recovering the accessibility of high pedestal temperatures. Notably, simulations based on dimensionless {ρ\\ast} scans recover historical scaling behavior except in the unique JET-ILW parameter regime where ITG turbulence becomes important. Our simulations also elucidate the observed degradation of confinement caused by gas puffing, emphasizing the important role of the density pedestal structure. This study maps out important regions of parameter space, providing insights that may point to optimal physical regimes that can enable the recovery of high pedestal temperatures on JET.

NETL - Chemical Looping Reactor

ScienceCinema

None

2018-02-14

NETL's Chemical Looping Reactor unit is a high-temperature integrated CLC process with extensive instrumentation to improve computational simulations. A non-reacting test unit is also used to study solids flow at ambient temperature. The CLR unit circulates approximately 1,000 pounds per hour at temperatures around 1,800 degrees Fahrenheit.

Prediction of soot and thermal radiation in a model gas turbine combustor burning kerosene fuel spray at different swirl levels

NASA Astrophysics Data System (ADS)

Ghose, Prakash; Patra, Jitendra; Datta, Amitava; Mukhopadhyay, Achintya

2016-05-01

Combustion of kerosene fuel spray has been numerically simulated in a laboratory scale combustor geometry to predict soot and the effects of thermal radiation at different swirl levels of primary air flow. The two-phase motion in the combustor is simulated using an Eulerian-Lagragian formulation considering the stochastic separated flow model. The Favre-averaged governing equations are solved for the gas phase with the turbulent quantities simulated by realisable k-ɛ model. The injection of the fuel is considered through a pressure swirl atomiser and the combustion is simulated by a laminar flamelet model with detailed kinetics of kerosene combustion. Soot formation in the flame is predicted using an empirical model with the model parameters adjusted for kerosene fuel. Contributions of gas phase and soot towards thermal radiation have been considered to predict the incident heat flux on the combustor wall and fuel injector. Swirl in the primary flow significantly influences the flow and flame structures in the combustor. The stronger recirculation at high swirl draws more air into the flame region, reduces the flame length and peak flame temperature and also brings the soot laden zone closer to the inlet plane. As a result, the radiative heat flux on the peripheral wall decreases at high swirl and also shifts closer to the inlet plane. However, increased swirl increases the combustor wall temperature due to radial spreading of the flame. The high incident radiative heat flux and the high surface temperature make the fuel injector a critical item in the combustor. The injector peak temperature increases with the increase in swirl flow mainly because the flame is located closer to the inlet plane. On the other hand, a more uniform temperature distribution in the exhaust gas can be attained at the combustor exit at high swirl condition.

Prebiotic Synthesis of Glycine from Ethanolamine in Simulated Archean Alkaline Hydrothermal Vents

NASA Astrophysics Data System (ADS)

Zhang, Xianlong; Tian, Ge; Gao, Jing; Han, Mei; Su, Rui; Wang, Yanxiang; Feng, Shouhua

2017-12-01

Submarine hydrothermal vents are generally considered as the likely habitats for the origin and evolution of early life on Earth. In recent years, a novel hydrothermal system in Archean subseafloor has been proposed. In this model, highly alkaline and high temperature hydrothermal fluids were generated in basalt-hosted hydrothermal vents, where H2 and CO2 could be abundantly provided. These extreme conditions could have played an irreplaceable role in the early evolution of life. Nevertheless, sufficient information has not yet been obtained for the abiotic synthesis of amino acids, which are indispensable components of life, at high temperature and alkaline condition. This study aims to propose a new method for the synthesis of glycine in simulated Archean submarine alkaline vent systems. We investigated the formation of glycine from ethanolamine under conditions of high temperature (80-160 °C) and highly alkaline solutions (pH = 9.70). Experiments were performed in an anaerobic environment under mild pressure (0.1-8.0 MPa) at the same time. The results suggested that the formation of glycine from ethanolamine occurred rapidly and efficiently in the presence of metal powders, and was favored by high temperatures and high pressures. The experiment provides a new pathway for prebiotic glycine formation and points out the phenomenal influence of high-temperature alkaline hydrothermal vents in origin of life in the early ocean.

Prebiotic Synthesis of Glycine from Ethanolamine in Simulated Archean Alkaline Hydrothermal Vents.

PubMed

Zhang, Xianlong; Tian, Ge; Gao, Jing; Han, Mei; Su, Rui; Wang, Yanxiang; Feng, Shouhua

2017-12-01

Submarine hydrothermal vents are generally considered as the likely habitats for the origin and evolution of early life on Earth. In recent years, a novel hydrothermal system in Archean subseafloor has been proposed. In this model, highly alkaline and high temperature hydrothermal fluids were generated in basalt-hosted hydrothermal vents, where H 2 and CO 2 could be abundantly provided. These extreme conditions could have played an irreplaceable role in the early evolution of life. Nevertheless, sufficient information has not yet been obtained for the abiotic synthesis of amino acids, which are indispensable components of life, at high temperature and alkaline condition. This study aims to propose a new method for the synthesis of glycine in simulated Archean submarine alkaline vent systems. We investigated the formation of glycine from ethanolamine under conditions of high temperature (80-160 °C) and highly alkaline solutions (pH = 9.70). Experiments were performed in an anaerobic environment under mild pressure (0.1-8.0 MPa) at the same time. The results suggested that the formation of glycine from ethanolamine occurred rapidly and efficiently in the presence of metal powders, and was favored by high temperatures and high pressures. The experiment provides a new pathway for prebiotic glycine formation and points out the phenomenal influence of high-temperature alkaline hydrothermal vents in origin of life in the early ocean.

Cluster-Expansion Model for Complex Quinary Alloys: Application to Alnico Permanent Magnets

NASA Astrophysics Data System (ADS)

Nguyen, Manh Cuong; Zhou, Lin; Tang, Wei; Kramer, Matthew J.; Anderson, Iver E.; Wang, Cai-Zhuang; Ho, Kai-Ming

2017-11-01

An accurate and transferable cluster-expansion model for complex quinary alloys is developed. Lattice Monte Carlo simulation enabled by this cluster-expansion model is used to investigate temperature-dependent atomic structure of alnico alloys, which are considered as promising high-performance non-rare-earth permanent-magnet materials for high-temperature applications. The results of the Monte Carlo simulations are consistent with available experimental data and provide useful insights into phase decomposition, selection, and chemical ordering in alnico. The simulations also reveal a previously unrecognized D 03 alloy phase. This phase is very rich in Ni and exhibits very weak magnetization. Manipulating the size and location of this phase provides a possible route to improve the magnetic properties of alnico, especially coercivity.

Direct numerical simulation of turbulent H2-O2 combustion using reduced chemistry

NASA Technical Reports Server (NTRS)

Montgomery, Christopher J.; Kosaly, George; Riley, James J.

1993-01-01

Results of direct numerical simulations of hydrogen-oxygen combustion using a partial-equilibrium chemistry scheme in constant density, decaying, isotropic turbulence are reported. The simulations qualitatively reproduce many features of experimental results, such as superequilibrium radical species mole fractions, with temperature and major species mole fractions closer to chemical equilibrium. It was also observed that the peak reaction rates occur in narrow zones where the stoichiometric surface intersects regions of high scalar dissipation, as might be expected for combustion conditions close to chemical equilibrium. Another finding was that high OH mole fraction correspond more closely to the stoichiometric surface than to areas of high reaction rate for conditions of the simulations. Simulation results were compared to predictions of the Conditional Moment Closure model. This model was found to give good results for all quantities of interest when the conditionally averaged scalar dissipation was used in the prediction. When the nonconditioned average dissipation was used, the predictions compared well to the simulations for most of the species and temperature, but not for the reaction rate. The comparison would be expected to improve for higher Reynolds number flows, however.

Is Miscanthus a High Risk Biofuel Feedstock Prospect for the Upper Midwest US?

NASA Astrophysics Data System (ADS)

Kucharik, C. J.; VanLoocke, A. D.

2011-12-01

Miscanthus is a highly productive C4 perennial rhizomatous grass that is native to Southeast Asia, but its potential as a feedstock for cellulosic biofuel in the Midwest US is intriguing given extremely high productivity for low amounts of agrochemical inputs. However, Miscanthus x giganteus, a key variety currently studied is not planted from seed, but rather from rhizomes planted at a soil depth of 5 to 10 cm. Therefore, it is costly to establish on the basis of both time and money, making it a potentially risky investment in geographic regions that experience cold wintertime temperatures that can effectively kill the crop. The 50% kill threshold for M. giganteus rhizomes occurs when soil temperatures fall below -3.5C, which may contribute to a high risk of improper establishment during the first few seasons. Our first objective here was to study a historical, simulated reconstruction of daily wintertime soil temperatures at high spatial resolution (5 min) across the Midwest US from 1948-2007, and use this information to quantify the frequency that lethal soil temperature thresholds for Miscanthus were reached. A second objective was to investigate how the use of crop residues could impact wintertime soil temperatures. In this study, a dynamic agroecosystem model (Agro-IBIS) that has been modified to simulate Miscanthus growth and phenology was used in conjunction with high-resolution datasets of soil texture and daily gridded weather data. Model simulations suggest that across the states of North and South Dakota, Nebraska, Minnesota, Wisconsin, Michigan, and the northern half of Iowa, the kill threshold of -3.5C at a 10cm soil depth was reached in 70-95% of the simulation years. A boundary representing a 50% likelihood of reaching -3.5C at 10cm depth in any given year runs approximately from east central Colorado, thought northern Kansas and Missouri, through central Illinois, central Indiana, and central Ohio. An analysis of monthly mean 10cm soil temperatures illustrates that temperatures colder than the kill threshold generally exist in January and February north and west of a line running from central Nebraska to north central Illinois, through southeastern Wisconsin and northern lower Michigan. These results suggest that a bioclimatic limit to successful establishment might be positioned somewhere through the central portion of the Corn Belt, but this depends on how risk is defined in the future. Model simulations suggest that a significant warming trend of wintertime soil temperatures existed across the region; soil temperatures have increased 3 to 4C in the past 60 years at 10cm as well as to depths as great as 50 to 100cm across northern and western portions of the Midwest. This warming trend, in combination with the strategic use of straw and other crop residues may reduce the risk of failure of establishing Miscanthus x giganteus. However, any adaptive management will not completely eliminate the high risk of cold soil temperatures in regions that are currently being targeted to support cellulosic biofuel production in the next several decades.

Bulk ultrasonic NDE of metallic components at high temperature using magnetostrictive transducers

NASA Astrophysics Data System (ADS)

Ashish, Antony Jacob; Rajagopal, Prabhu; Balasubramaniam, Krishnan; Kumar, Anish; Rao, B. Purnachandra; Jayakumar, Tammana

2017-02-01

Online ultrasonic NDE at high-temperature is of much interest to the power, process and automotive industries in view of possible savings in downtime. This paper describes a novel approach to developing ultrasonic transducers capable of high-temperature in-situ operation using the principle of magnetostriction. Preliminary design from previous research by the authors [1] is extended for operation at 1 MHz, and at elevated temperatures by amorphous metallic strips as the magnetostrictive core. Ultrasonic signals in pulse-echo mode are experimentally obtained from the ultrasonic transducer thus developed, in a simulated high-temperature environment of 350 °C for 10 hours. Advantages and challenges for practical deployment of this approach are discussed.

Numerical simulation of heat fluxes in a two-temperature plasma at shock tube walls

NASA Astrophysics Data System (ADS)

Kuznetsov, E. A.; Poniaev, S. A.

2015-12-01

Numerical simulation of a two-temperature three-component Xenon plasma flow is presented. A solver based on the OpenFOAM CFD software package is developed. The heat flux at the shock tube end wall is calculated and compared with experimental data. It is shown that the heat flux due to electrons can be as high as 14% of the total heat flux.

Quantum and quasi-classical collisional dynamics of O{sub 2}–Ar at high temperatures

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

Ulusoy, Inga S.; Center for Computational and Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400; Andrienko, Daniil A.

A hypersonic vehicle traveling at a high speed disrupts the distribution of internal states in the ambient flow and introduces a nonequilibrium distribution in the post-shock conditions. We investigate the vibrational relaxation in diatom-atom collisions in the range of temperatures between 1000 and 10 000 K by comparing results of extensive fully quantum-mechanical and quasi-classical simulations with available experimental data. The present paper simulates the interaction of molecular oxygen with argon as the first step in developing the aerothermodynamics models based on first principles. We devise a routine to standardize such calculations also for other scattering systems. Our results demonstrate verymore » good agreement of vibrational relaxation time, derived from quantum-mechanical calculations with the experimental measurements conducted in shock tube facilities. At the same time, the quasi-classical simulations fail to accurately predict rates of vibrationally inelastic transitions at temperatures lower than 3000 K. This observation and the computational cost of adopted methods suggest that the next generation of high fidelity thermochemical models should be a combination of quantum and quasi-classical approaches.« less

Correlation Between Microstructure and Low-Temperature Impact Toughness of Simulated Reheated Zones in the Multi-pass Weld Metal of High-Strength Steel

NASA Astrophysics Data System (ADS)

Kang, Yongjoon; Park, Gitae; Jeong, Seonghoon; Lee, Changhee

2018-01-01

A large fraction of reheated weld metal is formed during multi-pass welding, which significantly affects the mechanical properties (especially toughness) of welded structures. In this study, the low-temperature toughness of the simulated reheated zone in multi-pass weld metal was evaluated and compared to that of the as-deposited zone using microstructural analyses. Two kinds of high-strength steel welds with different hardenabilities were produced by single-pass, bead-in-groove welding, and both welds were thermally cycled to peak temperatures above Ac3 using a Gleeble simulator. When the weld metals were reheated, their toughness deteriorated in response to the increase in the fraction of detrimental microstructural components, i.e., grain boundary ferrite and coalesced bainite in the weld metals with low and high hardenabilities, respectively. In addition, toughness deterioration occurred in conjunction with an increase in the effective grain size, which was attributed to the decrease in nucleation probability of acicular ferrite; the main cause for this decrease changed depending on the hardenability of the weld metal.

Quantum and quasi-classical collisional dynamics of O2-Ar at high temperatures

NASA Astrophysics Data System (ADS)

Ulusoy, Inga S.; Andrienko, Daniil A.; Boyd, Iain D.; Hernandez, Rigoberto

2016-06-01

A hypersonic vehicle traveling at a high speed disrupts the distribution of internal states in the ambient flow and introduces a nonequilibrium distribution in the post-shock conditions. We investigate the vibrational relaxation in diatom-atom collisions in the range of temperatures between 1000 and 10 000 K by comparing results of extensive fully quantum-mechanical and quasi-classical simulations with available experimental data. The present paper simulates the interaction of molecular oxygen with argon as the first step in developing the aerothermodynamics models based on first principles. We devise a routine to standardize such calculations also for other scattering systems. Our results demonstrate very good agreement of vibrational relaxation time, derived from quantum-mechanical calculations with the experimental measurements conducted in shock tube facilities. At the same time, the quasi-classical simulations fail to accurately predict rates of vibrationally inelastic transitions at temperatures lower than 3000 K. This observation and the computational cost of adopted methods suggest that the next generation of high fidelity thermochemical models should be a combination of quantum and quasi-classical approaches.

Investigation of the effect of sealed surfaces on local climate in urban areas

NASA Astrophysics Data System (ADS)

Weihs, Philipp; Hasel, Stefan; Mursch-Radlgruber, Erich; Gützer, Christian; Krispel, Stefan; Peyerl, Martin; Trimmel, Heidi

2015-04-01

Local climate is driven by the interaction between energy balance and energy transported by advected air. Short-wave and long-wave radiation are major components in this interaction. Some few studies (e.g. Santamouris et al.) showed that adjusting the grade of reflection of surfaces is an efficient way to influence temperature. The present study investigates the influence of high albedo concrete surfaces on local climate. The first step of the study consisted of experimental investigations: routine measurements of the short and longwave radiation balance, of the ground and of the air temperature and humidity at different heights above 6 different types of sealed surfaces were performed. During this measurement campaign the above mentioned components were measured over a duration of 4 months above two conventional asphalt surfaces, one conventional concrete and three newly developed concrete surfaces with increased reflectances. Measured albedo values amounted to 0.12±0.02 for the asphalt surfaces and to maximum values of 0.56 for high albedo concrete. The maximum difference in surface temperature between the asphalt surfaces and the high albedo concrete surfaces amounted to 15°C. In addition the emission constants of the different sealed surfaces were also determined and were compared to values from literature.. In a second step the urban energy balance model Envi_Met was used to simulate the surface temperature of the six surfaces. The simulated surface temperatures were compared to the measured surface temperatures and statements as to uncertainties of the model simulations were made In a third step, Envi_Met was used to simulate the local climate of an urban district in Vienna. The surface and air temperature and the SW, LW fluxes were calculated for different types of sealed surfaces. By performing calculations of thermal stress indices (UTCI, PMV), statements as to the influence of the type of sealed surface on thermal stress on humans was made.

Numerical simulation study on impact of slope on smoke temperature distribution and smoke spread pattern in spiral tunnel fires

NASA Astrophysics Data System (ADS)

Li, Tao; Xie, Wei

2017-04-01

The spiral tunnel arises as a new form of tunnel, with great differences in fire development pattern when compared with traditional straight line tunnel, this paper takes method of numerical simulation, based on computation fluid dynamics theory and fire-turbulence numerical simulation theory, establishing a full-scale spiral tunnel model, and applies CFX simulation software to research full-scale spiral tunnel fire and its ventilation condition. The results indicate that with increasing tunnel slope, high temperature area gradually extends to downstream area, high temperature mainly distributes near fire source area, and symmetrically distributes among the fire center point; With increasing tunnel slope, the highest temperature underneath tunnel arch rises first followed by a downward trend and then rising again, which strengthens chimney effect, and promotes more fresh cold air flow into the tunnel, suppressing fire smoke backflow and simultaneously accelerating fire smoke spread to downstream area; Fire plume presents vertical slender shape with 1% or 3% tunnel slope, and burning flame hits tunnel arch and then extending all around into the ceiling jet flow, when tunnel slope increases to 5% or 7%, fire plume cross section grows bigger and wider with unstable burning flame swaying in all directions, integrally incline to fire downstream.

Parameter Estimation for a Turbulent Buoyant Jet Using Approximate Bayesian Computation

NASA Astrophysics Data System (ADS)

Christopher, Jason D.; Wimer, Nicholas T.; Hayden, Torrey R. S.; Lapointe, Caelan; Grooms, Ian; Rieker, Gregory B.; Hamlington, Peter E.

2016-11-01

Approximate Bayesian Computation (ABC) is a powerful tool that allows sparse experimental or other "truth" data to be used for the prediction of unknown model parameters in numerical simulations of real-world engineering systems. In this presentation, we introduce the ABC approach and then use ABC to predict unknown inflow conditions in simulations of a two-dimensional (2D) turbulent, high-temperature buoyant jet. For this test case, truth data are obtained from a simulation with known boundary conditions and problem parameters. Using spatially-sparse temperature statistics from the 2D buoyant jet truth simulation, we show that the ABC method provides accurate predictions of the true jet inflow temperature. The success of the ABC approach in the present test suggests that ABC is a useful and versatile tool for engineering fluid dynamics research.

High-temperature erosion of plasma-sprayed, yttria-stabilized zirconia in a simulated turbine environment

NASA Technical Reports Server (NTRS)

Hanschuh, R. F.

1984-01-01

A series of rig calibration and high temperature tests simulating gas path seal erosion in turbine engines were performed at three impingement angles and at three downstream locations. Plasma sprayed, yttria stablized zirconia specimens were tested. Steady state erosion curves presented for 19 test specimens indicate a brittle type of material erosion despite scanning electron microscopy evidence of plastic deformation. Steady state erosion results were not sensitive to downstream location but were sensitive to impingement angle. At difference downstream locations specimen surface temperature varied from 1250 to 1600 C (2280 to 2900 F) and particle velocity varied from 260 to 320 m/s (850 to 1050 ft/s). The mass ratio of combustion products to erosive grit material was typically 240.

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.

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.

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.

Use of CMIP3 simulations to estimate the changes of temperature indicators over France and Europe during the 21st century

NASA Astrophysics Data System (ADS)

Leboucher, V.; Couillaux, A.; Parey, S.; Fil, C.

2007-12-01

Projections of changes in temperature are essential to assess the impact of climate change on the energy supply sector as heating and cooling, energy demand highly depends on temperature. A selection of temperature indicators and their changes are examined for several simulations using SRES Emission Scenario A2 from the CMIP3 archive. We compare the present day simulated indicators to those in European Center for Medium-Range Weather Forecasts (ECMWF) ERA40 reanalysis The results are analysed for six areas over Europe and two time periods during the 21st century. We focus our study on changes in number and duration of hot and cold events and on changes in heating degree-days and cooling degree-days, which are commonly used to estimate the weather-related variations in energy consumption. Results are presented for the different models with some comparisons to the regional model simulations from the European PRUDENCE project to evaluate uncertainties.

Evaluation and projected changes of precipitation statistics in convection-permitting WRF climate simulations over Central Europe

NASA Astrophysics Data System (ADS)

Knist, Sebastian; Goergen, Klaus; Simmer, Clemens

2018-02-01

We perform simulations with the WRF regional climate model at 12 and 3 km grid resolution for the current and future climates over Central Europe and evaluate their added value with a focus on the daily cycle and frequency distribution of rainfall and the relation between extreme precipitation and air temperature. First, a 9 year period of ERA-Interim driven simulations is evaluated against observations; then global climate model runs (MPI-ESM-LR RCP4.5 scenario) are downscaled and analyzed for three 12-year periods: a control, a mid-of-century and an end-of-century projection. The higher resolution simulations reproduce both the diurnal cycle and the hourly intensity distribution of precipitation more realistically compared to the 12 km simulation. Moreover, the observed increase of the temperature-extreme precipitation scaling from the Clausius-Clapeyron (C-C) scaling rate of 7% K-1 to a super-adiabatic scaling rate for temperatures above 11 °C is reproduced only by the 3 km simulation. The drop of the scaling rates at high temperatures under moisture limited conditions differs between sub-regions. For both future scenario time spans both simulations suggest a slight decrease in mean summer precipitation and an increase in hourly heavy and extreme precipitation. This increase is stronger in the 3 km runs. Temperature-extreme precipitation scaling curves in the future climate are projected to shift along the 7% K-1 trajectory to higher peak extreme precipitation values at higher temperatures. The curves keep their typical shape of C-C scaling followed by super-adiabatic scaling and a drop-off at higher temperatures due to moisture limitation.

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.

Space-borne profiling of atmospheric thermodynamic variables with Raman lidar: performance simulations.

PubMed

Di Girolamo, Paolo; Behrendt, Andreas; Wulfmeyer, Volker

2018-04-02

The performance of a space-borne water vapour and temperature lidar exploiting the vibrational and pure rotational Raman techniques in the ultraviolet is simulated. This paper discusses simulations under a variety of environmental and climate scenarios. Simulations demonstrate the capability of Raman lidars deployed on-board low-Earth-orbit satellites to provide global-scale water vapour mixing ratio and temperature measurements in the lower to middle troposphere, with accuracies exceeding most observational requirements for numerical weather prediction (NWP) and climate research applications. These performances are especially attractive for measurements in the low troposphere in order to close the most critical gaps in the current earth observation system. In all climate zones, considering vertical and horizontal resolutions of 200 m and 50 km, respectively, mean water vapour mixing ratio profiling precision from the surface up to an altitude of 4 km is simulated to be 10%, while temperature profiling precision is simulated to be 0.40-0.75 K in the altitude interval up to 15 km. Performances in the presence of clouds are also simulated. Measurements are found to be possible above and below cirrus clouds with an optical thickness of 0.3. This combination of accuracy and vertical resolution cannot be achieved with any other space borne remote sensing technique and will provide a breakthrough in our knowledge of global and regional water and energy cycles, as well as in the quality of short- to medium-range weather forecasts. Besides providing a comprehensive set of simulations, this paper also provides an insight into specific possible technological solutions that are proposed for the implementation of a space-borne Raman lidar system. These solutions refer to technological breakthroughs gained during the last decade in the design and development of specific lidar devices and sub-systems, primarily in high-power, high-efficiency solid-state laser sources, low-weight large aperture telescopes, and high-gain, high-quantum efficiency detectors.

High-temperature annealing of graphite: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Petersen, Andrew; Gillette, Victor

2018-05-01

A modified AIREBO potential was developed to simulate the effects of thermal annealing on the structure and physical properties of damaged graphite. AIREBO parameter modifications were made to reproduce Density Functional Theory interstitial results. These changes to the potential resulted in high-temperature annealing of the model, as measured by stored-energy reduction. These results show some resemblance to experimental high-temperature annealing results, and show promise that annealing effects in graphite are accessible with molecular dynamics and reactive potentials.

Effect of spatial inlet temperature and pressure distortion on turbofan engine stability

NASA Technical Reports Server (NTRS)

Mehalic, Charles M.

1988-01-01

The effects of circumferential and radial inlet temperature distortion, circumferential pressure distortion, and combined temperature and pressure distortion on the stability of an advanced turbofan engine were investigated experimentally at simulated altitude conditions. With circumferential and radial inlet temperature distortion, a flow instability generated by the fan operating near stall caused the high-pressure compressor to surge at, or near, the same time as the fan. The effect of combined distortion was dependent on the relative location of the high-temperature and low-pressure regions; high-pressure compressor stalls occurred when the regions coincided, and fan stalls occurred with the regions separated.

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.

Multiphase Simulated Annealing Based on Boltzmann and Bose-Einstein Distribution Applied to Protein Folding Problem.

PubMed

Frausto-Solis, Juan; Liñán-García, Ernesto; Sánchez-Hernández, Juan Paulo; González-Barbosa, J Javier; González-Flores, Carlos; Castilla-Valdez, Guadalupe

2016-01-01

A new hybrid Multiphase Simulated Annealing Algorithm using Boltzmann and Bose-Einstein distributions (MPSABBE) is proposed. MPSABBE was designed for solving the Protein Folding Problem (PFP) instances. This new approach has four phases: (i) Multiquenching Phase (MQP), (ii) Boltzmann Annealing Phase (BAP), (iii) Bose-Einstein Annealing Phase (BEAP), and (iv) Dynamical Equilibrium Phase (DEP). BAP and BEAP are simulated annealing searching procedures based on Boltzmann and Bose-Einstein distributions, respectively. DEP is also a simulated annealing search procedure, which is applied at the final temperature of the fourth phase, which can be seen as a second Bose-Einstein phase. MQP is a search process that ranges from extremely high to high temperatures, applying a very fast cooling process, and is not very restrictive to accept new solutions. However, BAP and BEAP range from high to low and from low to very low temperatures, respectively. They are more restrictive for accepting new solutions. DEP uses a particular heuristic to detect the stochastic equilibrium by applying a least squares method during its execution. MPSABBE parameters are tuned with an analytical method, which considers the maximal and minimal deterioration of problem instances. MPSABBE was tested with several instances of PFP, showing that the use of both distributions is better than using only the Boltzmann distribution on the classical SA.

Interface bonding of SA508-3 steel under deformation and high temperature diffusion

NASA Astrophysics Data System (ADS)

Xu, Bin; Shao, Chunjuan; Sun, Mingyue

2018-05-01

There are mainly two parameters affecting high temperature interface bonding: deformation and diffusion. To study these two parameters, interface bonding of SA508-3 bainitic steel at 1100°C are simulated by gleeble3500 thermal simulator. The results show that interface of SA508-3 steel can be bonded under deformation and high temperature. For a specimen pressed at 1100°C without further high temperature diffusion, a reduction ratio of 30% can make the interface begun to bond, but the interface is still part of the grain boundary and small grains exist near the interface. When reduction ratio reaches 50%, the interface can be completely bonded and the microstructure near the interface is the same as that of the base material. When deformation is small, long time diffusion can also help the interface bonding. The results show that when the diffusion time is long enough, the interface under small deformation can also be bonded. For a specimen holding for 24h at 1100°C, only 13% reduction ratio is enough for interface bonding.

First-principles calculations of the thermal stability of Ti 3SiC 2(0001) surfaces

NASA Astrophysics Data System (ADS)

Orellana, Walter; Gutiérrez, Gonzalo

2011-12-01

The energetic, thermal stability and dynamical properties of the ternary layered ceramic Ti3SiC2(0001) surface are addressed by density-functional theory calculations and molecular dynamic (MD) simulations. The equilibrium surface energy at 0 K of all terminations is contrasted with thermal stability at high temperatures, which are investigated by ab initio MD simulations in the range of 800 to 1400 °C. We find that the toplayer (sublayer) surface configurations: Si(Ti2) and Ti2(Si) show the lowest surface energies with reconstruction features for Si(Ti2). However, at high temperatures they are unstable, forming disordered structures. On the contrary, Ti1(C) and Ti2(C) despite their higher surface energies, show a remarkable thermal stability at high temperatures preserving the crystalline structures up to 1400 °C. The less stable surfaces are those terminated in C atoms, C(Ti1) and C(Ti2), which at high temperatures show surface dissociation forming amorphous TiCx structures. Two possible atomic scale mechanisms involved in the thermal stability of Ti3SiC2(0001) are discussed.

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

PubMed Central

Whitney, Anna; Shakhnovich, Eugene I.

2015-01-01

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

Development and Experimental Benchmark of Simulations to Predict Used Nuclear Fuel Cladding Temperatures during Drying and Transfer Operations

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

Greiner, Miles

Radial hydride formation in high-burnup used fuel cladding has the potential to radically reduce its ductility and suitability for long-term storage and eventual transport. To avoid this formation, the maximum post-reactor temperature must remain sufficiently low to limit the cladding hoop stress, and so that hydrogen from the existing circumferential hydrides will not dissolve and become available to re-precipitate into radial hydrides under the slow cooling conditions during drying, transfer and early dry-cask storage. The objective of this research is to develop and experimentallybenchmark computational fluid dynamics simulations of heat transfer in post-pool-storage drying operations, when high-burnup fuel cladding ismore » likely to experience its highest temperature. These benchmarked tools can play a key role in evaluating dry cask storage systems for extended storage of high-burnup fuels and post-storage transportation, including fuel retrievability. The benchmarked tools will be used to aid the design of efficient drying processes, as well as estimate variations of surface temperatures as a means of inferring helium integrity inside the canister or cask. This work will be conducted effectively because the principal investigator has experience developing these types of simulations, and has constructed a test facility that can be used to benchmark them.« less

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.

Nonlinear gyrokinetic simulations of the I-mode high confinement regime and comparisons with experiment

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

White, A. E., E-mail: whitea@mit.edu; Howard, N. T.; Creely, A. J.

2015-05-15

For the first time, nonlinear gyrokinetic simulations of I-mode plasmas are performed and compared with experiment. I-mode is a high confinement regime, featuring energy confinement similar to H-mode, but without enhanced particle and impurity particle confinement [D. G. Whyte et al., Nucl. Fusion 50, 105005 (2010)]. As a consequence of the separation between heat and particle transport, I-mode exhibits several favorable characteristics compared to H-mode. The nonlinear gyrokinetic code GYRO [J. Candy and R. E. Waltz, J Comput. Phys. 186, 545 (2003)] is used to explore the effects of E × B shear and profile stiffness in I-mode and comparemore » with L-mode. The nonlinear GYRO simulations show that I-mode core ion temperature and electron temperature profiles are more stiff than L-mode core plasmas. Scans of the input E × B shear in GYRO simulations show that E × B shearing of turbulence is a stronger effect in the core of I-mode than L-mode. The nonlinear simulations match the observed reductions in long wavelength density fluctuation levels across the L-I transition but underestimate the reduction of long wavelength electron temperature fluctuation levels. The comparisons between experiment and gyrokinetic simulations for I-mode suggest that increased E × B shearing of turbulence combined with increased profile stiffness are responsible for the reductions in core turbulence observed in the experiment, and that I-mode resembles H-mode plasmas more than L-mode plasmas with regards to marginal stability and temperature profile stiffness.« less

Achieving ultra-high temperatures with a resistive emitter array

NASA Astrophysics Data System (ADS)

Danielson, Tom; Franks, Greg; Holmes, Nicholas; LaVeigne, Joe; Matis, Greg; McHugh, Steve; Norton, Dennis; Vengel, Tony; Lannon, John; Goodwin, Scott

2016-05-01

The rapid development of very-large format infrared detector arrays has challenged the IR scene projector community to also develop larger-format infrared emitter arrays to support the testing of systems incorporating these detectors. In addition to larger formats, many scene projector users require much higher simulated temperatures than can be generated with current technology in order to fully evaluate the performance of their systems and associated processing algorithms. Under the Ultra High Temperature (UHT) development program, Santa Barbara Infrared Inc. (SBIR) is developing a new infrared scene projector architecture capable of producing both very large format (>1024 x 1024) resistive emitter arrays and improved emitter pixel technology capable of simulating very high apparent temperatures. During earlier phases of the program, SBIR demonstrated materials with MWIR apparent temperatures in excess of 1400 K. New emitter materials have subsequently been selected to produce pixels that achieve even higher apparent temperatures. Test results from pixels fabricated using the new material set will be presented and discussed. A 'scalable' Read In Integrated Circuit (RIIC) is also being developed under the same UHT program to drive the high temperature pixels. This RIIC will utilize through-silicon via (TSV) and Quilt Packaging (QP) technologies to allow seamless tiling of multiple chips to fabricate very large arrays, and thus overcome the yield limitations inherent in large-scale integrated circuits. Results of design verification testing of the completed RIIC will be presented and discussed.

Simulation of Fatigue Behavior of High Temperature Metal Matrix Composites

NASA Technical Reports Server (NTRS)

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

1996-01-01

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

Impacts of climate change on rice production in Africa and causes of simulated yield changes.

PubMed

van Oort, Pepijn A J; Zwart, Sander J

2018-03-01

This study is the first of its kind to quantify possible effects of climate change on rice production in Africa. We simulated impacts on rice in irrigated systems (dry season and wet season) and rainfed systems (upland and lowland). We simulated the use of rice varieties with a higher temperature sum as adaptation option. We simulated rice yields for 4 RCP climate change scenarios and identified causes of yield declines. Without adaptation, shortening of the growing period due to higher temperatures had a negative impact on yields (-24% in RCP 8.5 in 2070 compared with the baseline year 2000). With varieties that have a high temperature sum, the length of the growing period would remain the same as under the baseline conditions. With this adaptation option rainfed rice yields would increase slightly (+8%) but they remain subject to water availability constraints. Irrigated rice yields in East Africa would increase (+25%) due to more favourable temperatures and due to CO2 fertilization. Wet season irrigated rice yields in West Africa were projected to change by -21% or +7% (without/with adaptation). Without adaptation irrigated rice yields in West Africa in the dry season would decrease by -45% with adaptation they would decrease significantly less (-15%). The main cause of this decline was reduced photosynthesis at extremely high temperatures. Simulated heat sterility hardly increased and was not found a major cause for yield decline. The implications for these findings are as follows. For East Africa to benefit from climate change, improved water and nutrient management will be needed to benefit fully from the more favourable temperatures and increased CO2 concentrations. For West Africa, more research is needed on photosynthesis processes at extreme temperatures and on adaptation options such as shifting sowing dates. © 2017 The Authors. Global Change Biology Published by John Wiley & Sons Ltd.

Atomistic Simulations of Chemical Reactivity of TATB Under Thermal and Shock Conditions

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

Manaa, M R; Reed, E J; Fried, L E

2009-09-23

The study of chemical transformations that occur at the reactive shock front of energetic materials provides important information for the development of predictive models at the grain-and continuum scales. A major shortcoming of current high explosives models is the lack of chemical kinetics data of the reacting explosive in the high pressure and temperature regimes. In the absence of experimental data, long-time scale atomistic molecular dynamics simulations with reactive chemistry become a viable recourse to provide an insight into the decomposition mechanism of explosives, and to obtain effective reaction rate laws. These rates can then be incorporated into thermo-chemical-hydro codesmore » (such as Cheetah linked to ALE3D) for accurate description of the grain and macro scales dynamics of reacting explosives. In this talk, I will present quantum simulations of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) crystals under thermal decomposition (high density and temperature) and shock compression conditions. This is the first time that condensed phase quantum methods have been used to study the chemistry of insensitive high explosives. We used the quantum-based, self-consistent charge density functional tight binding method (SCC{_}DFTB) to calculate the interatomic forces for reliable predictions of chemical reactions, and to examine electronic properties at detonation conditions for a relatively long time-scale on the order of several hundreds of picoseconds. For thermal decomposition of TATB, we conducted constant volume-temperature simulations, ranging from 0.35 to 2 nanoseconds, at {rho} = 2.87 g/cm{sup 3} at T = 3500, 3000, 2500, and 1500 K, and {rho} = 2.9 g/cm{sup 3} and 2.72 g/cm{sup 3}, at T = 3000 K. We also simulated crystal TATB's reactivity under steady overdriven shock compression using the multi-scale shock technique. We conducted shock simulations with specified shock speeds of 8, 9, and 10 km/s for up to 0.43 ns duration, enabling us to track the reactivity of TATB well into the formation of several stable gas products, such as H{sub 2}O, N{sub 2}, and CO{sub 2}. Although complex chemical transformations are occurring continuously in the dynamical, high temperature, reactive environment of our simulations, a simple overall scheme for the decomposition of TATB emerges: Water is the earliest decomposition products to form, followed by a polymerization (or condensation) process in which several TATB remaining fragments are joined together, initiating the early step in the formation of high-nitrogen clusters, along with stable products such as N{sub 2} and CO{sub 2}. Remarkably, these clusters with high concentration of carbon and nitrogen (and little oxygen) remain dynamically stable for the remaining period of the simulations. Our simulations, thus, reveal a hitherto unidentified region of high concentrations of nitrogen-rich heterocyclic clusters in reacting TATB, whose persistence impede further reactivity towards final products of fluid N{sub 2} and solid carbon. These simulations also predict significant populations of charged species such as NCO{sup -}, H{sup +}, OH{sup -}, H{sub 3}O{sup +}, and O{sup -2}, the first such observation in a reacting explosive. Finally, A reduced four steps, global reaction mechanism with Arrhenius kinetic rates for the decomposition of TATB, along with comparative Cheetah decomposition kinetics at various temperatures has been constructed and will be discussed.« less

Thermodynamic analysis of biofuels as fuels for high temperature fuel cells

NASA Astrophysics Data System (ADS)

Milewski, Jarosław; Bujalski, Wojciech; Lewandowski, Janusz

2011-11-01

Based on mathematical modeling and numerical simulations, applicativity of various biofuels on high temperature fuel cell performance are presented. Governing equations of high temperature fuel cell modeling are given. Adequate simulators of both solid oxide fuel cell (SOFC) and molten carbonate fuel cell (MCFC) have been done and described. Performance of these fuel cells with different biofuels is shown. Some characteristics are given and described. Advantages and disadvantages of various biofuels from the system performance point of view are pointed out. An analysis of various biofuels as potential fuels for SOFC and MCFC is presented. The results are compared with both methane and hydrogen as the reference fuels. The biofuels are characterized by both lower efficiency and lower fuel utilization factors compared with methane. The presented results are based on a 0D mathematical model in the design point calculation. The governing equations of the model are also presented. Technical and financial analysis of high temperature fuel cells (SOFC and MCFC) are shown. High temperature fuel cells can be fed by biofuels like: biogas, bioethanol, and biomethanol. Operational costs and possible incomes of those installation types were estimated and analyzed. A comparison against classic power generation units is shown. A basic indicator net present value (NPV) for projects was estimated and commented.

Thermodynamic analysis of biofuels as fuels for high temperature fuel cells

NASA Astrophysics Data System (ADS)

Milewski, Jarosław; Bujalski, Wojciech; Lewandowski, Janusz

2013-02-01

Based on mathematical modeling and numerical simulations, applicativity of various biofuels on high temperature fuel cell performance are presented. Governing equations of high temperature fuel cell modeling are given. Adequate simulators of both solid oxide fuel cell (SOFC) and molten carbonate fuel cell (MCFC) have been done and described. Performance of these fuel cells with different biofuels is shown. Some characteristics are given and described. Advantages and disadvantages of various biofuels from the system performance point of view are pointed out. An analysis of various biofuels as potential fuels for SOFC and MCFC is presented. The results are compared with both methane and hydrogen as the reference fuels. The biofuels are characterized by both lower efficiency and lower fuel utilization factors compared with methane. The presented results are based on a 0D mathematical model in the design point calculation. The governing equations of the model are also presented. Technical and financial analysis of high temperature fuel cells (SOFC and MCFC) are shown. High temperature fuel cells can be fed by biofuels like: biogas, bioethanol, and biomethanol. Operational costs and possible incomes of those installation types were estimated and analyzed. A comparison against classic power generation units is shown. A basic indicator net present value (NPV) for projects was estimated and commented.

Hierarchical Simulation of Hot Composite Structures

NASA Technical Reports Server (NTRS)

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

1993-01-01

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

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

NASA Astrophysics Data System (ADS)

Shaw, Vince; Fatuzzo, Marco

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

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

NASA Technical Reports Server (NTRS)

Gotsis, Pascal K.; Chamis, Christos C.

1992-01-01

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

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

NASA Technical Reports Server (NTRS)

Gotsis, Pascal K.

1991-01-01

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

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

Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/implicit solvent REMD simulation

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

Yu, Yuqi; Wang, Jinan; Shao, Qiang, E-mail: qshao@mail.shcnc.ac.cn, E-mail: Jiye.Shi@ucb.com, E-mail: wlzhu@mail.shcnc.ac.cn

2015-03-28

The application of temperature replica exchange molecular dynamics (REMD) simulation on protein motion is limited by its huge requirement of computational resource, particularly when explicit solvent model is implemented. In the previous study, we developed a velocity-scaling optimized hybrid explicit/implicit solvent REMD method with the hope to reduce the temperature (replica) number on the premise of maintaining high sampling efficiency. In this study, we utilized this method to characterize and energetically identify the conformational transition pathway of a protein model, the N-terminal domain of calmodulin. In comparison to the standard explicit solvent REMD simulation, the hybrid REMD is much lessmore » computationally expensive but, meanwhile, gives accurate evaluation of the structural and thermodynamic properties of the conformational transition which are in well agreement with the standard REMD simulation. Therefore, the hybrid REMD could highly increase the computational efficiency and thus expand the application of REMD simulation to larger-size protein systems.« less

A simulation exercise of a cavity-type solar receiver using the HEAP program

NASA Technical Reports Server (NTRS)

Lansing, F. L.

1979-01-01

A computer program has been developed at JPL to support the advanced studies of solar receivers in high concentration solar-thermal-electric power plants. This work presents briefly the program methodology, input data required, expected output results, capabilities and limitations. The program was used to simulate an existing 5 kwt experimental receiver of a cavity type. The receiver is located at the focus of a paraboloid dish and is connected to a Stirling engine. Both steady state and transient performance simulation were given. Details about the receiver modeling were also presented to illustrate the procedure followed. Simulated temperature patterns were found in good agreement with test data obtained by high temperature thermocouples. The simulated receiver performance was extrapolated to various operating conditions not attained experimentally. The results of the parameterization study were fitted to a general performance expression to determine the receiver characteristic constraints. The latter were used to optimize the receiver operating conditions to obtain the highest overall conversion efficiency.

Elevated temperature crack growth

NASA Technical Reports Server (NTRS)

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

1985-01-01

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

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

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.

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.

3D thermal modeling of TRISO fuel coupled with neutronic simulation

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

Hu, Jianwei; Uddin, Rizwan

2010-01-01

The Very High Temperature Gas Reactor (VHTR) is widely considered as one of the top candidates identified in the Next Generation Nuclear Power-plant (NGNP) Technology Roadmap under the U.S . Depanment of Energy's Generation IV program. TRlSO particle is a common element among different VHTR designs and its performance is critical to the safety and reliability of the whole reactor. A TRISO particle experiences complex thermo-mechanical changes during reactor operation in high temperature and high burnup conditions. TRISO fuel performance analysis requires evaluation of these changes on micro scale. Since most of these changes are temperature dependent, 3D thermal modelingmore » of TRISO fuel is a crucial step of the whole analysis package. In this paper, a 3D numerical thermal model was developed to calculate temperature distribution inside TRISO and pebble under different scenarios. 3D simulation is required because pebbles or TRISOs are always subjected to asymmetric thermal conditions since they are randomly packed together. The numerical model was developed using finite difference method and it was benchmarked against ID analytical results and also results reported from literature. Monte-Carlo models were set up to calculate radial power density profile. Complex convective boundary condition was applied on the pebble outer surface. Three reactors were simulated using this model to calculate temperature distribution under different power levels. Two asymmetric boundary conditions were applied to the pebble to test the 3D capabilities. A gas bubble was hypothesized inside the TRISO kernel and 3D simulation was also carried out under this scenario. Intuition-coherent results were obtained and reported in this paper.« less

Stellar models with calibrated convection and temperature stratification from 3D hydrodynamics simulations

NASA Astrophysics Data System (ADS)

Mosumgaard, Jakob Rørsted; Ball, Warrick H.; Aguirre, Víctor Silva; Weiss, Achim; Christensen-Dalsgaard, Jørgen

2018-06-01

Stellar evolution codes play a major role in present-day astrophysics, yet they share common simplifications related to the outer layers of stars. We seek to improve on this by the use of results from realistic and highly detailed 3D hydrodynamics simulations of stellar convection. We implement a temperature stratification extracted directly from the 3D simulations into two stellar evolution codes to replace the simplified atmosphere normally used. Our implementation also contains a non-constant mixing-length parameter, which varies as a function of the stellar surface gravity and temperature - also derived from the 3D simulations. We give a detailed account of our fully consistent implementation and compare to earlier works, and also provide a freely available MESA-module. The evolution of low-mass stars with different masses is investigated, and we present for the first time an asteroseismic analysis of a standard solar model utilising calibrated convection and temperature stratification from 3D simulations. We show that the inclusion of 3D results have an almost insignificant impact on the evolution and structure of stellar models - the largest effect are changes in effective temperature of order 30 K seen in the pre-main sequence and in the red-giant branch. However, this work provides the first step for producing self-consistent evolutionary calculations using fully incorporated 3D atmospheres from on-the-fly interpolation in grids of simulations.

Molecular dynamics simulation of shock-wave loading of copper and titanium

NASA Astrophysics Data System (ADS)

Bolesta, A. V.; Fomin, V. M.

2017-10-01

At extreme pressures and temperatures common materials form new dense phases with compacted atomic arrangements. By classical molecular dynamics simulation we observe that FCC copper undergo phase transformation to BCC structure. The transition occurs under shock wave loading at the pressures above 80 GPa and corresponding temperatures above 2000 K. We calculate phase diagram, show that at these pressures and low temperature FCC phase of copper is still stable and discuss the thermodynamic reason for phase transformation at high temperature shock wave regime. Titanium forms new hexagonal phase at high pressure as well. We calculate the structure of shock wave in titanium and observe that shock front splits in three parts: elastic, plastic and phase transformation. The possibility of using a phase transition behind a shock wave with further unloading for designing nanocrystalline materials with a reduced grain size is also shown.

Modeling Initial Stage of Ablation Material Pyrolysis: Graphitic Precursor Formation and Interfacial Effects

NASA Technical Reports Server (NTRS)

Desai, Tapan G.; Lawson, John W.; Keblinski, Pawel

2010-01-01

Reactive molecular dynamics simulations are used to study initial stage of pyrolysis of ablation materials and their composites with carbon nanotubes and carbon fibers. The products formed during pyrolysis are characterized and water is found as the primary product in all cases. The water formation mechanisms are analyzed and the value of the activation energy for water formation is estimated. A detailed study on graphitic precursor formation reveals the presence of two temperature zones. In the lower temperature zone (less than 2000 K) polymerization occurs resulting in formation of large, stable graphitic precursors, and in the high temperature zone (greater than 2000 K) polymer scission results in formation of short polymer chains/molecules. Simulations performed in the high temperature zone on the phenolic resin composites (with carbon nanotubes and carbon fibers) shows that the presence of interfaces had no substantial effect on the chain scission rate or the activation energy value for water formation.

A Comprehensive Study of a Micro-Channel Heat Sink Using Integrated Thin-Film Temperature Sensors

PubMed Central

Wang, Tao; Wang, Jiejun; He, Jian; Wu, Chuangui; Luo, Wenbo; Shuai, Yao; Zhang, Wanli; Chen, Xiancai; Zhang, Jian; Lin, Jia

2018-01-01

A micro-channel heat sink is a promising cooling method for high power integrated circuits (IC). However, the understanding of such a micro-channel device is not sufficient, because the tools for studying it are very limited. The details inside the micro-channels are not readily available. In this letter, a micro-channel heat sink is comprehensively studied using the integrated temperature sensors. The highly sensitive thin film temperature sensors can accurately monitor the temperature change in the micro-channel in real time. The outstanding heat dissipation performance of the micro-channel heat sink is proven in terms of maximum temperature, cooling speed and heat resistance. The temperature profile along the micro-channel is extracted, and even small temperature perturbations can be detected. The heat source formed temperature peak shifts towards the flow direction with the increasing flow rate. However, the temperature non-uniformity is independent of flow rate, but solely dependent on the heating power. Specific designs for minimizing the temperature non-uniformity are necessary. In addition, the experimental results from the integrated temperature sensors match the simulation results well. This can be used to directly verify the modeling results, helping to build a convincing simulation model. The integrated sensor could be a powerful tool for studying the micro-channel based heat sink. PMID:29351248

A Comprehensive Study of a Micro-Channel Heat Sink Using Integrated Thin-Film Temperature Sensors.

PubMed

Wang, Tao; Wang, Jiejun; He, Jian; Wu, Chuangui; Luo, Wenbo; Shuai, Yao; Zhang, Wanli; Chen, Xiancai; Zhang, Jian; Lin, Jia

2018-01-19

A micro-channel heat sink is a promising cooling method for high power integrated circuits (IC). However, the understanding of such a micro-channel device is not sufficient, because the tools for studying it are very limited. The details inside the micro-channels are not readily available. In this letter, a micro-channel heat sink is comprehensively studied using the integrated temperature sensors. The highly sensitive thin film temperature sensors can accurately monitor the temperature change in the micro-channel in real time. The outstanding heat dissipation performance of the micro-channel heat sink is proven in terms of maximum temperature, cooling speed and heat resistance. The temperature profile along the micro-channel is extracted, and even small temperature perturbations can be detected. The heat source formed temperature peak shifts towards the flow direction with the increasing flow rate. However, the temperature non-uniformity is independent of flow rate, but solely dependent on the heating power. Specific designs for minimizing the temperature non-uniformity are necessary. In addition, the experimental results from the integrated temperature sensors match the simulation results well. This can be used to directly verify the modeling results, helping to build a convincing simulation model. The integrated sensor could be a powerful tool for studying the micro-channel based heat sink.

High-pressure/high-temperature polymorphs of energetic materials by first-principles simulations

NASA Astrophysics Data System (ADS)

Le, Nam; Schweigert, Igor

2017-06-01

Energetic molecular crystals exhibit complex phase diagrams that include solid-solid phase transitions, melting, and decomposition. Sorescu and Rice have recently demonstrated that first-principles molecular dynamics (MD) simulations based on dispersion-corrected density functional theory (DFT) can capture the α to γ phase transition in hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) on time scales of several picoseconds. Motivated by their work, we are using DFT-based MD to model the relative stability of solid phases in several molecular crystals. In this presentation, we report simulations of pentaerythritol tetranitrate (PETN) and 2,4,6-trinitrotoluene (TNT) under high pressures and temperatures and compare them with experimentally observed polymorphs. This work was supported by the U.S. Naval Research Laboratory via the National Research Council and by the Office of Naval Research through the U.S. Naval Research Laboratory.

Modeling white sturgeon movement in a reservoir: The effect of water quality and sturgeon density

USGS Publications Warehouse

Sullivan, A.B.; Jager, H.I.; Myers, R.

2003-01-01

We developed a movement model to examine the distribution and survival of white sturgeon (Acipenser transmontanus) in a reservoir subject to large spatial and temporal variation in dissolved oxygen and temperature. Temperature and dissolved oxygen were simulated by a CE-QUAL-W2 model of Brownlee Reservoir, Idaho for a typical wet, normal, and dry hydrologic year. We compared current water quality conditions to scenarios with reduced nutrient inputs to the reservoir. White sturgeon habitat quality was modeled as a function of temperature, dissolved oxygen and, in some cases, suitability for foraging and depth. We assigned a quality index to each cell along the bottom of the reservoir. The model simulated two aspects of daily movement. Advective movement simulated the tendency for animals to move toward areas with high habitat quality, and diffusion simulated density dependent movement away from areas with high sturgeon density in areas with non-lethal habitat conditions. Mortality resulted when sturgeon were unable to leave areas with lethal temperature or dissolved oxygen conditions. Water quality was highest in winter and early spring and lowest in mid to late summer. Limiting nutrient inputs reduced the area of Brownlee Reservoir with lethal conditions for sturgeon and raised the average habitat suitability throughout the reservoir. Without movement, simulated white sturgeon survival ranged between 45 and 89%. Allowing movement raised the predicted survival of sturgeon under all conditions to above 90% as sturgeon avoided areas with low habitat quality. ?? 2003 Elsevier B.V. All rights reserved.

Simulated versus observed patterns of warming over the extratropical Northern Hemisphere continents during the cold season

PubMed Central

Wallace, John M.; Fu, Qiang; Smoliak, Brian V.; Lin, Pu; Johanson, Celeste M.

2012-01-01

A suite of the historical simulations run with the Intergovernmental Panel on Climate Change Fourth Assessment Report (IPCC AR4) models forced by greenhouse gases, aerosols, stratospheric ozone depletion, and volcanic eruptions and a second suite of simulations forced by increasing CO2 concentrations alone are compared with observations for the reference interval 1965–2000. Surface air temperature trends are disaggregated by boreal cold (November-April) versus warm (May-October) seasons and by high latitude northern (N: 40°–90 °N) versus southern (S: 60 °S–40 °N) domains. A dynamical adjustment is applied to remove the component of the cold-season surface air temperature trends (over land areas poleward of 40 °N) that are attributable to changing atmospheric circulation patterns. The model simulations do not simulate the full extent of the wintertime warming over the high-latitude Northern Hemisphere continents during the later 20th century, much of which was dynamically induced. Expressed as fractions of the concurrent trend in global-mean sea surface temperature, the relative magnitude of the dynamically induced wintertime warming over domain N in the observations, the simulations with multiple forcings, and the runs forced by the buildup of greenhouse gases only is 7∶2∶1, and roughly comparable to the relative magnitude of the concurrent sea-level pressure trends. These results support the notion that the enhanced wintertime warming over high northern latitudes from 1965 to 2000 was mainly a reflection of unforced variability of the coupled climate system. Some of the simulations exhibit an enhancement of the warming along the Arctic coast, suggestive of exaggerated feedbacks. PMID:22847408

High-temperature thermal treatment of the uterus

NASA Astrophysics Data System (ADS)

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

2003-06-01

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

Experimental investigation of a molten salt thermocline storage tank

NASA Astrophysics Data System (ADS)

Yang, Xiaoping; Yang, Xiaoxi; Qin, Frank G. F.; Jiang, Runhua

2016-07-01

Thermal energy storage is considered as an important subsystem for solar thermal power stations. Investigations into thermocline storage tanks have mainly focused on numerical simulations because conducting high-temperature experiments is difficult. In this paper, an experimental study of the heat transfer characteristics of a molten salt thermocline storage tank was conducted by using high-temperature molten salt as the heat transfer fluid and ceramic particle as the filler material. This experimental study can verify the effectiveness of numerical simulation results and provide reference for engineering design. Temperature distribution and thermal storage capacity during the charging process were obtained. A temperature gradient was observed during the charging process. The temperature change tendency showed that thermocline thickness increased continuously with charging time. The slope of the thermal storage capacity decreased gradually with the increase in time. The low-cost filler material can replace the expensive molten salt to achieve thermal storage purposes and help to maintain the ideal gravity flow or piston flow of molten salt fluid.

Molecular dynamics study on the structural and dynamic properties of xanthan gum in a dilute solution under the effect of temperature

NASA Astrophysics Data System (ADS)

Ong, Ernest E. S.; O'Byrne, Sean; Liow, Jong-Leng

2018-04-01

Xanthan gum (XG) is considered one of the most industrially important polysaccharides, with applications ranging from food products such as ice creams and salad dressings to pharmaceuticals and oil well drilling fluids. The wide application of XG is due to its favourable rheological properties and its capability to resist degradation under a high shear or high temperature environment. It is generally accepted that both inter- and intramolecular interactions, including hydrogen bonding (HB), are responsible for its unique properties. To date, there is still a lack of comprehensive examination on the HB mechanism in polysaccharides. Therefore, the study proposed here was conducted using molecular dynamics (MD) simulations that are able to provide insights with an unparalleled temporal and spatial resolution. Since XG is used over a broad range of temperatures, the implications of thermal effect on the structure and molecular interactions of XG in an aqueous solution are discussed in this paper. MD simulations were run at an isobaric-isothermal condition with 1 atm target pressure and five temperatures ranging between 283K and 353K. From the simulation results, an increasingly extended conformation of XG is observed as the temperature rises, and this finding matches qualitatively with the results published in the literature. The radius of gyration, radial pair distribution functions and intramolecular HB of XG were also discussed. The outcomes of the present study may serve as a stepping stone for the future studies on polysaccharides using MD simulations.

Development and Evaluation of High-Resolution Climate Simulations Over the Mountainous Northeastern United States

NASA Technical Reports Server (NTRS)

Winter, Jonathan M.; Beckage, Brian; Bucini, Gabriela; Horton, Radley M.; Clemins, Patrick J.

2016-01-01

The mountain regions of the northeastern United States are a critical socioeconomic resource for Vermont, New York State, New Hampshire, Maine, and southern Quebec. While global climate models (GCMs) are important tools for climate change risk assessment at regional scales, even the increased spatial resolution of statistically downscaled GCMs (commonly approximately 1/ 8 deg) is not sufficient for hydrologic, ecologic, and land-use modeling of small watersheds within the mountainous Northeast. To address this limitation, an ensemble of topographically downscaled, high-resolution (30"), daily 2-m maximum air temperature; 2-m minimum air temperature; and precipitation simulations are developed for the mountainous Northeast by applying an additional level of downscaling to intermediately downscaled (1/ 8 deg) data using high-resolution topography and station observations. First, observed relationships between 2-m air temperature and elevation and between precipitation and elevation are derived. Then, these relationships are combined with spatial interpolation to enhance the resolution of intermediately downscaled GCM simulations. The resulting topographically downscaled dataset is analyzed for its ability to reproduce station observations. Topographic downscaling adds value to intermediately downscaled maximum and minimum 2-m air temperature at high-elevation stations, as well as moderately improves domain-averaged maximum and minimum 2-m air temperature. Topographic downscaling also improves mean precipitation but not daily probability distributions of precipitation. Overall, the utility of topographic downscaling is dependent on the initial bias of the intermediately downscaled product and the magnitude of the elevation adjustment. As the initial bias or elevation adjustment increases, more value is added to the topographically downscaled product.

Exploration of the Structure of the High Temperature Phase of the Hexagonal RMnO3 System

NASA Astrophysics Data System (ADS)

Wu, T.; Tyson, T. A.; Zhang, H.; Yu, T.; Page, K.; Ghose, S.

Temperature dependent structural studies of the high temperature phase of hexagonal RMnO3 systems have been conducted. Both long range and local structural probes have been utilized. Discussions of the appropriate space groups and local distortions relevant to length scale will be given. Ab initio MD simulations are used to interpret the observations. This work is supported by DOE Grant DE-FG02-07ER46402.

An arc tangent function demodulation method of fiber-optic Fabry-Perot high-temperature pressure sensor

NASA Astrophysics Data System (ADS)

Ren, Qianyu; Li, Junhong; Hong, Yingping; Jia, Pinggang; Xiong, Jijun

2017-09-01

A new demodulation algorithm of the fiber-optic Fabry-Perot cavity length based on the phase generated carrier (PGC) is proposed in this paper, which can be applied in the high-temperature pressure sensor. This new algorithm based on arc tangent function outputs two orthogonal signals by utilizing an optical system, which is designed based on the field-programmable gate array (FPGA) to overcome the range limit of the original PGC arc tangent function demodulation algorithm. The simulation and analysis are also carried on. According to the analysis of demodulation speed and precision, the simulation of different numbers of sampling points, and measurement results of the pressure sensor, the arc tangent function demodulation method has good demodulation results: 1 MHz processing speed of single data and less than 1% error showing practical feasibility in the fiber-optic Fabry-Perot cavity length demodulation of the Fabry-Perot high-temperature pressure sensor.

Rapid equilibrium sampling initiated from nonequilibrium data.

PubMed

Huang, Xuhui; Bowman, Gregory R; Bacallado, Sergio; Pande, Vijay S

2009-11-24

Simulating the conformational dynamics of biomolecules is extremely difficult due to the rugged nature of their free energy landscapes and multiple long-lived, or metastable, states. Generalized ensemble (GE) algorithms, which have become popular in recent years, attempt to facilitate crossing between states at low temperatures by inducing a random walk in temperature space. Enthalpic barriers may be crossed more easily at high temperatures; however, entropic barriers will become more significant. This poses a problem because the dominant barriers to conformational change are entropic for many biological systems, such as the short RNA hairpin studied here. We present a new efficient algorithm for conformational sampling, called the adaptive seeding method (ASM), which uses nonequilibrium GE simulations to identify the metastable states, and seeds short simulations at constant temperature from each of them to quantitatively determine their equilibrium populations. Thus, the ASM takes advantage of the broad sampling possible with GE algorithms but generally crosses entropic barriers more efficiently during the seeding simulations at low temperature. We show that only local equilibrium is necessary for ASM, so very short seeding simulations may be used. Moreover, the ASM may be used to recover equilibrium properties from existing datasets that failed to converge, and is well suited to running on modern computer clusters.

Simulations of buoyancy-generated horizontal roll vortices over multiple heating lines

Treesearch

W.E. Heilman

1994-01-01

A two-dimensional nonhydrostatic atmospheric model is used to simulate the boundary-layer circulations that develop from multiple lines of extremely high surface temperatures. Numerical simulations are carried out to investigate the role of buoyancy and ambient crossflow effects in generating horizontal roll vortices in the vicinity of adjacent wildland fire perimeters...

New Submount Requirement of Conductively Cooled Laser Diodes for Lidar Applications

NASA Technical Reports Server (NTRS)

Mo, S. Y.; Cutler, A. D.; Choi, S. H.; Lee, M. H.; Singh, U. N.

2000-01-01

New submount technology is essential for the development of conductively cooled high power diode laser. The simulation and experimental results indicate that thermal conductivity of submount for high power laser-diode must be at least 600 W/m/k or higher for stable operation. We have simulated several theoretical thermal model based on new submount designs and characterized high power diode lasers to determine temperature effects on the performances of laser diodes. The characterization system measures the beam power, output beam profile, temperature distribution, and spectroscopic property of high power diode laser. The characterization system is composed of four main parts: an infrared imaging camera, a CCD camera, a monochromator, and a power meter. Thermal characteristics of two commercial-grade CW 20-W diode laser bars with open heat-sink type were determined with respect to the line shift of emission spectra and beam power stability. The center wavelength of laser emission has a tendency to shift toward longer wavelength as the driving current and heat sink temperature are increased. The increase of heat sink temperature decreases the output power of the laser bar too. Such results lay the guidelines for the design of new submount for high power laser-diodes.

Simulation of the planetary interior differentiation processes in the laboratory.

PubMed

Fei, Yingwei

2013-11-15

A planetary interior is under high-pressure and high-temperature conditions and it has a layered structure. There are two important processes that led to that layered structure, (1) percolation of liquid metal in a solid silicate matrix by planet differentiation, and (2) inner core crystallization by subsequent planet cooling. We conduct high-pressure and high-temperature experiments to simulate both processes in the laboratory. Formation of percolative planetary core depends on the efficiency of melt percolation, which is controlled by the dihedral (wetting) angle. The percolation simulation includes heating the sample at high pressure to a target temperature at which iron-sulfur alloy is molten while the silicate remains solid, and then determining the true dihedral angle to evaluate the style of liquid migration in a crystalline matrix by 3D visualization. The 3D volume rendering is achieved by slicing the recovered sample with a focused ion beam (FIB) and taking SEM image of each slice with a FIB/SEM crossbeam instrument. The second set of experiments is designed to understand the inner core crystallization and element distribution between the liquid outer core and solid inner core by determining the melting temperature and element partitioning at high pressure. The melting experiments are conducted in the multi-anvil apparatus up to 27 GPa and extended to higher pressure in the diamond-anvil cell with laser-heating. We have developed techniques to recover small heated samples by precision FIB milling and obtain high-resolution images of the laser-heated spot that show melting texture at high pressure. By analyzing the chemical compositions of the coexisting liquid and solid phases, we precisely determine the liquidus curve, providing necessary data to understand the inner core crystallization process.

Simulation of the Planetary Interior Differentiation Processes in the Laboratory

PubMed Central

Fei, Yingwei

2013-01-01

A planetary interior is under high-pressure and high-temperature conditions and it has a layered structure. There are two important processes that led to that layered structure, (1) percolation of liquid metal in a solid silicate matrix by planet differentiation, and (2) inner core crystallization by subsequent planet cooling. We conduct high-pressure and high-temperature experiments to simulate both processes in the laboratory. Formation of percolative planetary core depends on the efficiency of melt percolation, which is controlled by the dihedral (wetting) angle. The percolation simulation includes heating the sample at high pressure to a target temperature at which iron-sulfur alloy is molten while the silicate remains solid, and then determining the true dihedral angle to evaluate the style of liquid migration in a crystalline matrix by 3D visualization. The 3D volume rendering is achieved by slicing the recovered sample with a focused ion beam (FIB) and taking SEM image of each slice with a FIB/SEM crossbeam instrument. The second set of experiments is designed to understand the inner core crystallization and element distribution between the liquid outer core and solid inner core by determining the melting temperature and element partitioning at high pressure. The melting experiments are conducted in the multi-anvil apparatus up to 27 GPa and extended to higher pressure in the diamond-anvil cell with laser-heating. We have developed techniques to recover small heated samples by precision FIB milling and obtain high-resolution images of the laser-heated spot that show melting texture at high pressure. By analyzing the chemical compositions of the coexisting liquid and solid phases, we precisely determine the liquidus curve, providing necessary data to understand the inner core crystallization process. PMID:24326245

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

Simulation of lake ice and its effect on the late-Pleistocene evaporation rate of Lake Lahontan

USGS Publications Warehouse

Hostetler, S.W.

1991-01-01

A model of lake ice was coupled with a model of lake temperature and evaporation to assess the possible effect of ice cover on the late-Pleistocene evaporation rate of Lake Lahontan. The simulations were done using a data set based on proxy temperature indicators and features of the simulated late-Pleistocene atmospheric circulation over western North America. When a data set based on a mean-annual air temperature of 3?? C (7?? C colder than present) and reduced solar radiation from jet-stream induced cloud cover was used as input to the model, ice cover lasting ??? 4 months was simulated. Simulated evaporation rates (490-527 mm a-1) were ??? 60% lower than the present-day evaporation rate (1300 mm a-1) of Pyramid Lake. With this reduced rate of evaporation, water inputs similar to the 1983 historical maxima that occurred in the Lahontan basin would have been sufficient to maintain the 13.5 ka BP high stand of Lake Lahontan. ?? 1991 Springer-Verlag.

Molecular dynamics simulations of spinels: LiMn2O4 and Li4Mn5O12 at high temperatures

NASA Astrophysics Data System (ADS)

Ledwaba, R. S.; Matshaba, M. G.; Ngoepe, P. E.

2015-04-01

Energy storage technologies are critical in addressing the global challenge of clean sustainable energy. Spinel lithium manganates have attracted attention due to their electrochemical properties and also as promising cathode materials for lithium-ion batteries. The current study focused on the effects of high temperatures on the materials, in order to understand the sustainability in cases where the battery heats up to high temperature and analysis of lithium diffusion aids in terms of intercalation host compatibility. It is also essential to understand the high temperature behaviour and lithium ion host capability of these materials in order to perform the armorphization and recrystalization of spinel nano-architectures. Molecular dynamics simulations carried out to predict high temperature behaviour of the spinel systems. The NVE ensemble was employed, in the range 300 - 3000K. The melting temperature, lithium-ion diffusion and structural behaviour were monitored in both supercell systems. LiMn2O4 indicated a diffusion rate that increased rapidly above 1500K, just before melting (˜1700K) and reached its maximum diffusion at 2.756 × 10-7 cm2s-1 before it decreased. Li4Mn5O12 indicated an exponential increase above 700K reaching 8.303 × 10-7 cm2s-1 at 2000K and allowing lithium intercalation even above its melting point of around 1300K. This indicated better structural stability of Li4Mn5O12 and capability to host lithium ions at very high temperatures (up to 3000 K) compared to LiMn2O4.

Balloon Ascent: 3-D Simulation Tool for the Ascent and Float of High-Altitude Balloons

NASA Technical Reports Server (NTRS)

Farley, Rodger E.

2005-01-01

The BalloonAscent balloon flight simulation code represents a from-scratch development using Visual Basic 5 as the software platform. The simulation code is a transient analysis of balloon flight, predicting the skin and gas temperatures along with the 3-D position and velocity in a time and spatially varying environment. There are manual and automated controls for gas valving and the dropping of ballast. Also, there are many handy calculators, such as appropriate free lift, and steady-state thermal solutions with temperature gradients. The strength of this simulation model over others in the past is that the infrared environment is deterministic rather than guessed at. The ground temperature is specified along with the emissivity, which creates a ground level IR environment that is then partially absorbed as it travels upward through the atmosphere to the altitude of the balloon.

The resistance of the lichen Circinaria gyrosa (nom. provis.) towards simulated Mars conditions—a model test for the survival capacity of an eukaryotic extremophile

NASA Astrophysics Data System (ADS)

Sánchez, F. J.; Mateo-Martí, E.; Raggio, J.; Meeßen, J.; Martínez-Frías, J.; Sancho, L. G.^a..; Ott, S.; de la Torre, R.

2012-11-01

The "Planetary Atmospheres and Surfaces Chamber" (PASC, at Centro de Astrobiología, INTA, Madrid) is able to simulate the atmosphere and surface temperature of most of the solar system planets. PASC is especially appropriate to study irradiation induced changes of geological, chemical, and biological samples under a wide range of controlled atmospheric and temperature conditions. Therefore, PASC is a valid method to test the resistance potential of extremophile organisms under diverse harsh conditions and thus assess the habitability of extraterrestrial environments. In the present study, we have investigated the resistance of a symbiotic organism under simulated Mars conditions, exemplified with the lichen Circinaria gyrosa - an extremophilic eukaryote. After 120 hours of exposure to simulated but representative Mars atmosphere, temperature, pressure and UV conditions; an unaltered photosynthetic performance demonstrated high resistance of the lichen photobiont.

DSMC Simulations of High Mach Number Taylor-Couette Flow

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev

2017-11-01

The main focus of this work is to characterise the Taylor-Couette flow of an ideal gas between two coaxial cylinders at Mach number Ma =(Uw /√{ kbTw / m }) in the range 0.01

First Principles Simulations of P-V-T Unreacted Equation of State of LLM-105

NASA Astrophysics Data System (ADS)

Manaa, Riad; Kuo, I.-Feng; Fried, Laurence

2015-03-01

Equations of states (EOS) of unreacted energetic materials extending to high-pressure and temperatures regimes are of particular interest since they provide fundamental information about the associated thermodynamic properties of these materials at extreme conditions. Very often, experimental and computational studies focus only on determining a pressure-volume relationship at ambient to moderate temperatures. Adding elevated temperature data to construct a P-V-T EOS is highly desirable to extend the range of materials properties. Atomic scale molecular dynamics simulations are particularly suited for such a construct since EOSs are the manifestation of the underlying atomic interactions. In this work, we report dispersion-corrected density functional theoretical calculations of unreacted equation of state (EOS) of the energetic material 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105). We performed large-scale constant-volume and temperature molecular dynamics simulations for pressures ranging from ambient to 35 GPa, and temperatures ranging from 300 K to 1000 K. These calculations allowed us to construct an unreacted P-V-T EOS and obtain bulk modulus for each P-V isotherm. We also report the thermal expansion coefficient of LLM-105 in the temperature range of this study. This work performed under the auspices of the U.S. Department of Energy Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

High Temperature Shear Horizontal Electromagnetic Acoustic Transducer for Guided Wave Inspection

PubMed Central

Kogia, Maria; Gan, Tat-Hean; Balachandran, Wamadeva; Livadas, Makis; Kappatos, Vassilios; Szabo, Istvan; Mohimi, Abbas; Round, Andrew

2016-01-01

Guided Wave Testing (GWT) using novel Electromagnetic Acoustic Transducers (EMATs) is proposed for the inspection of large structures operating at high temperatures. To date, high temperature EMATs have been developed only for thickness measurements and they are not suitable for GWT. A pair of water-cooled EMATs capable of exciting and receiving Shear Horizontal (SH0) waves for GWT with optimal high temperature properties (up to 500 °C) has been developed. Thermal and Computational Fluid Dynamic (CFD) simulations of the EMAT design have been performed and experimentally validated. The optimal thermal EMAT design, material selection and operating conditions were calculated. The EMAT was successfully tested regarding its thermal and GWT performance from ambient temperature to 500 °C. PMID:27110792

Evaluation of Working Fluids for Organic Rankine Cycle Based on Exergy Analysis

NASA Astrophysics Data System (ADS)

Setiawan, D.; Subrata, I. D. M.; Purwanto, Y. A.; Tambunan, A. H.

2018-05-01

One of the crucial aspects to determine the performance of Organic Rankine Cycle (ORC) is the selection of appropriate working fluids. This paper describes the simulative performance of several organic fluid and water as working fluid of an ORC based on exergy analysis with a heat source from waste heat recovery. The simulation was conducted by using Engineering Equation Solver (EES). The effect of several parameters and thermodynamic properties of working fluid was analyzed, and part of them was used as variables for the simulation in order to determine their sensitivity to the exergy efficiency changes. The results of this study showed that water is not appropriate to be used as working fluid at temperature lower than 130 °C, because the expansion process falls in saturated area. It was also found that Benzene had the highest exergy efficiency, i.e. about 10.49%, among the dry type working fluid. The increasing turbine inlet temperature did not lead to the increase of exergy efficiency when using organic working fluids with critical temperature near heat source temperature. Meanwhile, exergy efficiency decreasing linearly with the increasing condenser inlet temperature. In addition, it was found that working fluid with high latent heat of vaporization and specific heat exert in high exergy efficiency.

Reducing Operating Temperature in Photovoltaic Modules

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

Silverman, Timothy J.; Deceglie, Michael G.; Subedi, Indra

Reducing the operating temperature of photovoltaic modules increases their efficiency and lifetime. This can be achieved by reducing the production of waste heat or by improving the rejection of waste heat. We tested, using a combination of simulation and experiment, several thermal modifications in each category. To predict operating temperature and energy yield changes in response to changes to the module, we implemented a physics-based transient simulation framework based almost entirely on measured properties. The most effective thermal modifications reduced the production of waste heat by reflecting unusable light from the cell or the module. Consistent with previous results andmore » verified in this work through year-long simulations, the ideal reflector resulted in an annual irradiance-weighted temperature reduction of 3.8 K for crystalline silicon (c-Si). Our results illustrate that more realistic reflector concepts must balance detrimental optical effects with the intended thermal effects to realize the optimal energy production advantage. Methods improving thermal conductivity or back-side emissivity showed only modest improvements of less than 1 K. We also studied a GaAs module, which uses high-efficiency and high-subbandgap reflectivity to operate at an annual irradiance-weighted temperature 12 K cooler than that of a c-Si module under the same conditions.« less

Reducing Operating Temperature in Photovoltaic Modules

DOE PAGES

Silverman, Timothy J.; Deceglie, Michael G.; Subedi, Indra; ...

2018-01-09

Reducing the operating temperature of photovoltaic modules increases their efficiency and lifetime. This can be achieved by reducing the production of waste heat or by improving the rejection of waste heat. We tested, using a combination of simulation and experiment, several thermal modifications in each category. To predict operating temperature and energy yield changes in response to changes to the module, we implemented a physics-based transient simulation framework based almost entirely on measured properties. The most effective thermal modifications reduced the production of waste heat by reflecting unusable light from the cell or the module. Consistent with previous results andmore » verified in this work through year-long simulations, the ideal reflector resulted in an annual irradiance-weighted temperature reduction of 3.8 K for crystalline silicon (c-Si). Our results illustrate that more realistic reflector concepts must balance detrimental optical effects with the intended thermal effects to realize the optimal energy production advantage. Methods improving thermal conductivity or back-side emissivity showed only modest improvements of less than 1 K. We also studied a GaAs module, which uses high-efficiency and high-subbandgap reflectivity to operate at an annual irradiance-weighted temperature 12 K cooler than that of a c-Si module under the same conditions.« less

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.

Detection of Local Temperature Change on HTS Cables via Time-Frequency Domain Reflectometry

NASA Astrophysics Data System (ADS)

Bang, Su Sik; Lee, Geon Seok; Kwon, Gu-Young; Lee, Yeong Ho; Ji, Gyeong Hwan; Sohn, Songho; Park, Kijun; Shin, Yong-June

2017-07-01

High temperature superconducting (HTS) cables are drawing attention as transmission and distribution cables in future grid, and related researches on HTS cables have been conducted actively. As HTS cables have come to the demonstration stage, failures of cooling systems inducing quench phenomenon of the HTS cables have become significant. Several diagnosis of the HTS cables have been developed but there are still some limitations of the experimental setup. In this paper, a non-destructive diagnostic technique for the detection of the local temperature change point is proposed. Also, a simulation model of HTS cables with a local temperature change point is suggested to verify the proposed diagnosis. The performance of the diagnosis is checked by comparative analysis between the proposed simulation results and experiment results of a real-world HTS cable. It is expected that the suggested simulation model and diagnosis will contribute to the commercialization of HTS cables in the power grid.

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

Optimization analysis of thermal management system for electric vehicle battery pack

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Molecular dynamics simulation of premelting and melting phase transitions in stoichiometric uranium dioxide

NASA Astrophysics Data System (ADS)

Yakub, Eugene; Ronchi, Claudio; Staicu, Dragos

2007-09-01

Results of molecular dynamics (MD) simulation of UO2 in a wide temperature range are presented and discussed. A new approach to the calibration of a partly ionic Busing-Ida-type model is proposed. A potential parameter set is obtained reproducing the experimental density of solid UO2 in a wide range of temperatures. A conventional simulation of the high-temperature stoichiometric UO2 on large MD cells, based on a novel fast method of computation of Coulomb forces, reveals characteristic features of a premelting λ transition at a temperature near to that experimentally observed (Tλ=2670K ). A strong deviation from the Arrhenius behavior of the oxygen self-diffusion coefficient was found in the vicinity of the transition point. Predictions for liquid UO2, based on the same potential parameter set, are in good agreement with existing experimental data and theoretical calculations.

Highly porous activated carbon based adsorption cooling system employing difluoromethane and a mixture of pentafluoroethane and difluoromethane

NASA Astrophysics Data System (ADS)

Askalany, Ahmed A.; Saha, Bidyut B.

2017-01-01

This paper presents a simulation for a low-grade thermally powered two-beds adsorption cooling system employing HFC-32 and a mixture of HFC-32 and HFC-125 (HFC-410a) with activated carbon of type Maxsorb III. The present simulation model adopts experimentally measured adsorption isotherms, adsorption kinetics and isosteric heat of adsorption data. Effect of operating conditions (mass flow rate of hot water, driving heat source temperature and evaporator temperature) on the system performance has been studied in detail. The simulation results showed that the system could be powered by low-grade heat source temperature (below 85 °C). AC/HFC-32 and AC/HFC-410a adsorption cooling cycles achieved close specific cooling power and coefficient of performance values of 0.15 kW/kg and 0.3, respectively at a regeneration temperature of 90 °C along with evaporator temperature of 10 °C. The investigated semi continuous adsorption cooling system could produce a cooling power of 9 kW.

Daily temperature and precipitation extremes in the Baltic Sea region derived from the BaltAn65+ reanalysis

NASA Astrophysics Data System (ADS)

Toll, Velle; Post, Piia

2018-04-01

Daily 2-m temperature and precipitation extremes in the Baltic Sea region for the time period of 1965-2005 is studied based on data from the BaltAn65 + high resolution atmospheric reanalysis. Moreover, the ability of regional reanalysis to capture extremes is analysed by comparing the reanalysis data to gridded observations. The shortcomings in the simulation of the minimum temperatures over the northern part of the region and in the simulation of the extreme precipitation over the Scandinavian mountains in the BaltAn65+ reanalysis data are detected and analysed. Temporal trends in the temperature and precipitation extremes in the Baltic Sea region, with the largest increases in temperature and precipitation in winter, are detected based on both gridded observations and the BaltAn65+ reanalysis data. However, the reanalysis is not able to capture all of the regional trends in the extremes in the observations due to the shortcomings in the simulation of the extremes.

Lithographically fabricated silicon microreactor for operando QEXAFS studies in exhaust gas catalysis during simulation of a standard driving cycle

NASA Astrophysics Data System (ADS)

Doronkin, D. E.; Baier, S.; Sheppard, T.; Benzi, F.; Grunwaldt, J.-D.

2016-05-01

Selective catalytic reduction of NOx by ammonia over Cu-ZSM-5 was monitored by operando QEXAFS during simulation of the New European Driving Cycle. The required fast temperature transients were realized using a novel silicon microreactor, enabling simultaneous spectroscopic and kinetic analysis by X-ray absorption spectroscopy (XAS) and mass spectrometry (MS). Periods of high temperature were correlated to an increase in both N2 production and change of coordination of Cu sites. This operando approach using Si microreactors can be applied to other heterogeneous catalytic systems involving fast temperature transients.

Aging analysis of high performance FinFET flip-flop under Dynamic NBTI simulation configuration

NASA Astrophysics Data System (ADS)

Zainudin, M. F.; Hussin, H.; Halim, A. K.; Karim, J.

2018-03-01

A mechanism known as Negative-bias Temperature Instability (NBTI) degrades a main electrical parameters of a circuit especially in terms of performance. So far, the circuit design available at present are only focussed on high performance circuit without considering the circuit reliability and robustness. In this paper, the main circuit performances of high performance FinFET flip-flop such as delay time, and power were studied with the presence of the NBTI degradation. The aging analysis was verified using a 16nm High Performance Predictive Technology Model (PTM) based on different commands available at Synopsys HSPICE. The results shown that the circuit under the longer dynamic NBTI simulation produces the highest impact in the increasing of gate delay and decrease in the average power reduction from a fresh simulation until the aged stress time under a nominal condition. In addition, the circuit performance under a varied stress condition such as temperature and negative stress gate bias were also studied.

Non-uniform temperature and species concentration measurements in a laminar flame using multi-band infrared absorption spectroscopy

NASA Astrophysics Data System (ADS)

Ma, Liu Hao; Lau, Lok Yin; Ren, Wei

2017-03-01

We report in situ measurements of non-uniform temperature, H2O and CO2 concentration distributions in a premixed methane-air laminar flame using tunable diode laser absorption spectroscopy (TDLAS). A mid-infrared, continuous-wave, room-temperature interband cascade laser (ICL) at 4183 nm was used for the sensitive detection of CO2 at high temperature.The H2O absorption lines were exploited by one distributed feedback (DFB) diode laser at 1343 nm and one ICL at 2482 nm to achieve multi-band absorption measurements with high species concentration sensitivity, high temperature sensitivity, and immunity to variations in ambient conditions. A novel profile-fitting function was proposed to characterize the non-uniform temperature and species concentrations along the line-of-sight in the flame by detecting six absorption lines of CO2 and H2O simultaneously. The flame temperature distribution was measured at different heights above the burner (5-20 mm), and compared with the thermocouple measurement with heat-transfer correction. Our TDLAS measured temperature of the central flame was in excellent agreement (<1.5% difference) with the thermocouple data.The TDLAS results were also compared with the CFD simulations using a detailed chemical kinetics mechanism (GRI 3.0) and considering the heat loss to the surroundings.The current CFD simulation overpredicted the flame temperature in the gradient region, but was in excellent agreement with the measured temperature and species concentration in the core of the flame.

Simulation of one-sided heating of boiler unit membrane-type water walls

NASA Astrophysics Data System (ADS)

Kurepin, M. P.; Serbinovskiy, M. Yu.

2017-03-01

This study describes the results of simulation of the temperature field and the stress-strain state of membrane-type gastight water walls of boiler units using the finite element method. The methods of analytical and standard calculation of one-sided heating of fin-tube water walls by a radiative heat flux are analyzed. The methods and software for input data calculation in the finite-element simulation, including thermoelastic moments in welded panels that result from their one-sided heating, are proposed. The method and software modules are used for water wall simulation using ANSYS. The results of simulation of the temperature field, stress field, deformations and displacement of the membrane-type panel for the boiler furnace water wall using the finite-element method, as well as the results of calculation of the panel tube temperature, stresses and deformations using the known methods, are presented. The comparison of the known experimental results on heating and bending by given moments of membrane-type water walls and numerical simulations is performed. It is demonstrated that numerical results agree with high accuracy with the experimental data. The relative temperature difference does not exceed 1%. The relative difference of the experimental fin mutual turning angle caused by one-sided heating by radiative heat flux and the results obtained in the finite element simulation does not exceed 8.5% for nondisplaced fins and 7% for fins with displacement. The same difference for the theoretical results and the simulation using the finite-element method does not exceed 3% and 7.1%, respectively. The proposed method and software modules for simulation of the temperature field and stress-strain state of the water walls are verified and the feasibility of their application in practical design is proven.

Numerical simulations of the impact of seasonal heat storage on source zone emission in a TCE contaminated aquifer

NASA Astrophysics Data System (ADS)

Popp, Steffi; Beyer, Christof; Dahmke, Andreas; Bauer, Sebastian

2016-04-01

In urban regions, with high population densities and heat demand, seasonal high temperature heat storage in the shallow subsurface represents an attractive and efficient option for a sustainable heat supply. In fact, the major fraction of energy consumed in German households is used for room heating and hot water production. Especially in urbanized areas, however, the installation of high temperature heat storage systems is currently restricted due to concerns on negative influences on groundwater quality caused e.g. by possible interactions between heat storages and subsurface contaminants, which are a common problem in the urban subsurface. Detailed studies on the overall impact of the operation of high temperature heat storages on groundwater quality are scarce. Therefore, this work investigates possible interactions between groundwater temperature changes induced by heat storage via borehole heat exchangers and subsurface contaminations by numerical scenario analysis. For the simulation of non-isothermal groundwater flow, and reactive transport processes the OpenGeoSys code is used. A 2D horizontal cross section of a shallow groundwater aquifer is assumed in the simulated scenario, consisting of a sandy sediment typical for Northern Germany. Within the aquifer a residual trichloroethene (TCE) contaminant source zone is present. Temperature changes are induced by a seasonal heat storage placed within the aquifer with scenarios of maximum temperatures of 20°C, 40°C and 60°C, respectively, during heat injection and minimum temperatures of 2°C during heat extraction. In the scenario analysis also the location of the heat storage relative to the TCE source zone and plume was modified. Simulations were performed in a homogeneous aquifer as well as in a set of heterogeneous aquifers with hydraulic conductivity as spatially correlated random fields. In both cases, results show that the temperature increase in the heat plume and the consequential reduction of water viscosity lead to locally increased groundwater flow. Depending on the positioning of the heat storage relative to the TCE contamination, groundwater fluxes hence may be induced to increase within or partially bypass the TCE source zone. At the same time, TCE solubility decreases between 10 and 40 °C, which reduces TCE emission and almost compensates for the effects of a temperature induced increase of groundwater flow through the source zone. In total, the numerical simulations thus show only minor influences of the heat plume on the TCE emission compared to a thermally undisturbed aquifer. Acknowledgments: This work is part of the ANGUS+ project (www.angusplus.de) and funded by the German Federal Ministry of Education and Research (BMBF) as part of the energy storage initiative "Energiespeicher".

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.

Tensile Strength of Carbon Nanotubes Under Realistic Temperature and Strain Rate

NASA Technical Reports Server (NTRS)

Wei, Chen-Yu; Cho, Kyeong-Jae; Srivastava, Deepak; Biegel, Bryan (Technical Monitor)

2002-01-01

Strain rate and temperature dependence of the tensile strength of single-wall carbon nanotubes has been investigated with molecular dynamics simulations. The tensile failure or yield strain is found to be strongly dependent on the temperature and strain rate. A transition state theory based predictive model is developed for the tensile failure of nanotubes. Based on the parameters fitted from high-strain rate and temperature dependent molecular dynamics simulations, the model predicts that a defect free micrometer long single-wall nanotube at 300 K, stretched with a strain rate of 1%/hour, fails at about 9 plus or minus 1% tensile strain. This is in good agreement with recent experimental findings.

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

Erickson III, David J

The climate of the last glacial maximum (LGM) is simulated with a high-resolution atmospheric general circulation model, the NCAR CCM3 at spectral truncation of T170, corresponding to a grid cell size of roughly 75 km. The purpose of the study is to assess whether there are significant benefits from the higher resolution simulation compared to the lower resolution simulation associated with the role of topography. The LGM simulations were forced with modified CLIMAP sea ice distribution and sea surface temperatures (SST) reduced by 1 C, ice sheet topography, reduced CO{sub 2}, and 21,000 BP orbital parameters. The high-resolution model capturesmore » modern climate reasonably well, in particular the distribution of heavy precipitation in the tropical Pacific. For the ice age case, surface temperature simulated by the high-resolution model agrees better with those of proxy estimates than does the low-resolution model. Despite the fact that tropical SSTs were only 2.1 C less than the control run, there are many lowland tropical land areas 4-6 C colder than present. Comparison of T170 model results with the best constrained proxy temperature estimates (noble gas concentrations in groundwater) now yield no significant differences between model and observations. There are also significant upland temperature changes in the best resolved tropical mountain belt (the Andes). We provisionally attribute this result in part as resulting from decreased lateral mixing between ocean and land in a model with more model grid cells. A longstanding model-data discrepancy therefore appears to be resolved without invoking any unusual model physics. The response of the Asian summer monsoon can also be more clearly linked to local geography in the high-resolution model than in the low-resolution model; this distinction should enable more confident validation of climate proxy data with the high-resolution model. Elsewhere, an inferred salinity increase in the subtropical North Atlantic may have significant implications for ocean circulation changes during the LGM. A large part of the Amazon and Congo Basins are simulated to be substantially drier in the ice age - consistent with many (but not all) paleo data. These results suggest that there are considerable benefits derived from high-resolution model regarding regional climate responses, and that observationalists can now compare their results with models that resolve geography at a resolution comparable to that which the proxy data represent.« less

Investigation of vapor-deposited amorphous ice and irradiated ice by molecular dynamics simulation.

PubMed

Guillot, Bertrand; Guissani, Yves

2004-03-01

With the purpose of clarifying a number of points raised in the experimental literature, we investigate by molecular dynamics simulation the thermodynamics, the structure and the vibrational properties of vapor-deposited amorphous ice (ASW) as well as the phase transformations experienced by crystalline and vitreous ice under ion bombardment. Concerning ASW, we have shown that by changing the conditions of the deposition process, it is possible to form either a nonmicroporous amorphous deposit whose density (approximately 1.0 g/cm3) is essentially invariant with the temperature of deposition, or a microporous sample whose density varies drastically upon temperature annealing. We find that ASW is energetically different from glassy water except at the glass transition temperature and above. Moreover, the molecular dynamics simulation shows no evidence for the formation of a high-density phase when depositing water molecules at very low temperature. In order to model the processing of interstellar ices by cosmic ray protons and heavy ions coming from the magnetospheric radiation environment around the giant planets, we bombarded samples of vitreous ice and cubic ice with 35 eV water molecules. After irradiation the recovered samples were found to be densified, the lower the temperature, the higher the density of the recovered sample. The analysis of the structure and vibrational properties of this new high-density phase of amorphous ice shows a close relationship with those of high-density amorphous ice obtained by pressure-induced amorphization. Copyright 2004 American Institute of Physics

Impacts of spectral nudging on the simulated surface air temperature in summer compared with the selection of shortwave radiation and land surface model physics parameterization in a high-resolution regional atmospheric model

NASA Astrophysics Data System (ADS)

Park, Jun; Hwang, Seung-On

2017-11-01

The impact of a spectral nudging technique for the dynamical downscaling of the summer surface air temperature in a high-resolution regional atmospheric model is assessed. The performance of this technique is measured by comparing 16 analysis-driven simulation sets of physical parameterization combinations of two shortwave radiation and four land surface model schemes of the model, which are known to be crucial for the simulation of the surface air temperature. It is found that the application of spectral nudging to the outermost domain has a greater impact on the regional climate than any combination of shortwave radiation and land surface model physics schemes. The optimal choice of two model physics parameterizations is helpful for obtaining more realistic spatiotemporal distributions of land surface variables such as the surface air temperature, precipitation, and surface fluxes. However, employing spectral nudging adds more value to the results; the improvement is greater than using sophisticated shortwave radiation and land surface model physical parameterizations. This result indicates that spectral nudging applied to the outermost domain provides a more accurate lateral boundary condition to the innermost domain when forced by analysis data by securing the consistency with large-scale forcing over a regional domain. This consequently indirectly helps two physical parameterizations to produce small-scale features closer to the observed values, leading to a better representation of the surface air temperature in a high-resolution downscaled climate.

Twinning to slip transition in ultrathin BCC Fe nanowires

NASA Astrophysics Data System (ADS)

Sainath, G.; Choudhary, B. K.

2018-04-01

We report twinning to slip transition with decreasing size and increasing temperature in ultrathin <100> BCC Fe nanowires. Molecular dynamics simulations have been performed on different nanowire size in the range 0.404-3.634 nm at temperatures ranging from 10 to 900 K. The results indicate that slip mode dominates at low sizes and high temperatures, while deformation twinning is promoted at high sizes and low temperatures. The temperature, at which the nanowires show twinning to slip transition, increases with increasing size. The different modes of deformation are also reflected appropriately in the respective stress-strain behaviour of the nanowires.

High-resolution simulations of the thermophysiological effects of human exposure to 100 MHz RF energy

NASA Astrophysics Data System (ADS)

Nelson, David A.; Curran, Allen R.; Nyberg, Hans A.; Marttila, Eric A.; Mason, Patrick A.; Ziriax, John M.

2013-03-01

Human exposure to radio frequency (RF) electromagnetic energy is known to result in tissue heating and can raise temperatures substantially in some situations. Standards for safe exposure to RF do not reflect bio-heat transfer considerations however. Thermoregulatory function (vasodilation, sweating) may mitigate RF heating effects in some environments and exposure scenarios. Conversely, a combination of an extreme environment (high temperature, high humidity), high activity levels and thermally insulating garments may exacerbate RF exposure and pose a risk of unsafe temperature elevation, even for power densities which might be acceptable in a normothermic environment. A high-resolution thermophysiological model, incorporating a heterogeneous tissue model of a seated adult has been developed and used to replicate a series of whole-body exposures at a frequency (100 MHz) which approximates that of human whole-body resonance. Exposures were simulated at three power densities (4, 6 and 8 mW cm-2) plus a sham exposure and at three different ambient temperatures (24, 28 and 31 °C). The maximum hypothalamic temperature increase over the course of a 45 min exposure was 0.28 °C and occurred in the most extreme conditions (Tamb = 31 °C, PD = 8 mW cm-2). Skin temperature increases attributable to RF exposure were modest, with the exception of a ‘hot spot’ in the vicinity of the ankle where skin temperatures exceeded 39 °C. Temperature increases in internal organs and tissues were small, except for connective tissue and bone in the lower leg and foot. Temperature elevation also was noted in the spinal cord, consistent with a hot spot previously identified in the literature.

High-resolution simulations of the thermophysiological effects of human exposure to 100 MHz RF energy.

PubMed

Nelson, David A; Curran, Allen R; Nyberg, Hans A; Marttila, Eric A; Mason, Patrick A; Ziriax, John M

2013-03-21

Human exposure to radio frequency (RF) electromagnetic energy is known to result in tissue heating and can raise temperatures substantially in some situations. Standards for safe exposure to RF do not reflect bio-heat transfer considerations however. Thermoregulatory function (vasodilation, sweating) may mitigate RF heating effects in some environments and exposure scenarios. Conversely, a combination of an extreme environment (high temperature, high humidity), high activity levels and thermally insulating garments may exacerbate RF exposure and pose a risk of unsafe temperature elevation, even for power densities which might be acceptable in a normothermic environment. A high-resolution thermophysiological model, incorporating a heterogeneous tissue model of a seated adult has been developed and used to replicate a series of whole-body exposures at a frequency (100 MHz) which approximates that of human whole-body resonance. Exposures were simulated at three power densities (4, 6 and 8 mW cm(-2)) plus a sham exposure and at three different ambient temperatures (24, 28 and 31 °C). The maximum hypothalamic temperature increase over the course of a 45 min exposure was 0.28 °C and occurred in the most extreme conditions (T(AMB) = 31 °C, PD = 8 mW cm(-2)). Skin temperature increases attributable to RF exposure were modest, with the exception of a 'hot spot' in the vicinity of the ankle where skin temperatures exceeded 39 °C. Temperature increases in internal organs and tissues were small, except for connective tissue and bone in the lower leg and foot. Temperature elevation also was noted in the spinal cord, consistent with a hot spot previously identified in the literature.

A High Temperature Silicon Carbide mosfet Power Module With Integrated Silicon-On-Insulator-Based Gate Drive

DOE PAGES

Wang, Zhiqiang; Shi, Xiaojie; Tolbert, Leon M.; ...

2014-04-30

Here we present a board-level integrated silicon carbide (SiC) MOSFET power module for high temperature and high power density application. Specifically, a silicon-on-insulator (SOI)-based gate driver capable of operating at 200°C ambient temperature is designed and fabricated. The sourcing and sinking current capability of the gate driver are tested under various ambient temperatures. Also, a 1200 V/100 A SiC MOSFET phase-leg power module is developed utilizing high temperature packaging technologies. The static characteristics, switching performance, and short-circuit behavior of the fabricated power module are fully evaluated at different temperatures. Moreover, a buck converter prototype composed of the SOI gate drivermore » and SiC power module is built for high temperature continuous operation. The converter is operated at different switching frequencies up to 100 kHz, with its junction temperature monitored by a thermosensitive electrical parameter and compared with thermal simulation results. The experimental results from the continuous operation demonstrate the high temperature capability of the power module at a junction temperature greater than 225°C.« less

Extraction of temperature dependent electrical resistivity and thermal conductivity from silicon microwires self-heated to melting temperature

NASA Astrophysics Data System (ADS)

Bakan, Gokhan; Adnane, Lhacene; Gokirmak, Ali; Silva, Helena

2012-09-01

Temperature-dependent electrical resistivity, ρ(T), and thermal conductivity, k(T), of nanocrystalline silicon microwires self-heated to melt are extracted by matching simulated current-voltage (I-V) characteristics to experimental I-V characteristics. Electrical resistivity is extracted from highly doped p-type wires on silicon dioxide in which the heat losses are predominantly to the substrate and the self-heating depends mainly on ρ(T) of the wires. The extracted ρ(T) decreases from 11.8 mΩ cm at room-temperature to 5.2 mΩ cm at 1690 K, in reasonable agreement with the values measured up to ˜650 K. Electrical resistivity and thermal conductivity are extracted from suspended highly doped n-type silicon wires in which the heat losses are predominantly through the wires. In this case, measured ρ(T) (decreasing from 20.5 mΩ cm at room temperature to 12 mΩ cm at 620 K) is used to extract ρ(T) at higher temperatures (decreasing to 1 mΩ cm at 1690 K) and k(T) (decreasing from 30 W m-1 K-1 at room temperature to 20 W m-1 K-1 at 1690 K). The method is tested by using the extracted parameters to model wires with different dimensions. The experimental and simulated I-V curves for these wires show good agreement up to high voltage and temperature levels. This technique allows extraction of the electrical resistivity and thermal conductivity up to very high temperatures from self-heated microstructures.

A PC-based high temperature gas reactor simulator for Indonesian conceptual HTR reactor basic training

NASA Astrophysics Data System (ADS)

Syarip; Po, L. C. C.

2018-05-01

In planning for nuclear power plant construction in Indonesia, helium cooled high temperature reactor (HTR) is favorable for not relying upon water supply that might be interrupted by earthquake. In order to train its personnel, BATAN has cooperated with Micro-Simulation Technology of USA to develop a 200 MWt PC-based simulation model PCTRAN/HTR. It operates in Win10 environment with graphic user interface (GUI). Normal operation of startup, power maneuvering, shutdown and accidents including pipe breaks and complete loss of AC power have been conducted. A sample case of safety analysis simulation to demonstrate the inherent safety features of HTR was done for helium pipe break malfunction scenario. The analysis was done for the variation of primary coolant pipe break i.e. from 0,1% - 0,5 % and 1% - 10 % helium gas leakages, while the reactor was operated at the maximum constant power of 10 MWt. The result shows that the highest temperature of HTR fuel centerline and coolant were 1150 °C and 1296 °C respectively. With 10 kg/s of helium flow in the reactor core, the thermal power will back to the startup position after 1287 s of helium pipe break malfunction.

Evaluation of East Asian climatology as simulated by seven coupled models

NASA Astrophysics Data System (ADS)

Jiang, Dabang; Wang, Huijun; Lang, Xianmei

2005-07-01

Using observation and reanalysis data throughout 1961 1990, the East Asian surface air temperature, precipitation and sea level pressure climatology as simulated by seven fully coupled atmosphere-ocean models, namely CCSR/NIES, CGCM2, CSIRO-Mk2, ECHAM4/OPYC3, GFDL-R30, HadCM3, and NCAR-PCM, are systematically evaluated in this study. It is indicated that the above models can successfully reproduce the annual and seasonal surface air temperature and precipitation climatology in East Asia, with relatively good performance for boreal autumn and annual mean. The models’ ability to simulate surface air temperature is more reliable than precipitation. In addition, the models can dependably capture the geographical distribution pattern of annual, boreal winter, spring and autumn sea level pressure in East Asia. In contrast, relatively large simulation errors are displayed when simulated boreal summer sea level pressure is compared with reanalysis data in East Asia. It is revealed that the simulation errors for surface air temperature, precipitation and sea level pressure are generally large over and around the Tibetan Plateau. No individual model is best in every aspect. As a whole, the ECHAM4/OPYC3 and HadCM3 performances are much better, whereas the CGCM2 is relatively poorer in East Asia. Additionally, the seven-model ensemble mean usually shows a relatively high reliability.

Modeling the effects of snowpack on heterotrophic respiration across northern temperate and high latitude regions: Comparison with measurements of atmospheric carbon dioxide in high latitudes

USGS Publications Warehouse

McGuire, A.D.; Melillo, J.M.; Randerson, J.T.; Parton, W.J.; Heimann, Martin; Meier, R.A.; Clein, Joy S.; Kicklighter, D.W.; Sauf, W.

2000-01-01

Simulations by global terrestrial biogeochemical models (TBMs) consistently underestimate the concentration of atmospheric carbon dioxide (CO2) at high latitude monitoring stations during the nongrowing season. We hypothesized that heterotrophic respiration is underestimated during the nongrowing season primarily because TBMs do not generally consider the insulative effects of snowpack on soil temperature. To evaluate this hypothesis, we compared the performance of baseline and modified versions of three TBMs in simulating the seasonal cycle of atmospheric CO2 at high latitude CO2 monitoring stations; the modified version maintained soil temperature at 0 ??C when modeled snowpack was present. The three TBMs include the Carnegie-Ames-Stanford Approach (CASA), Century, and the Terrestrial Ecosystem Model (TEM). In comparison with the baseline simulation of each model, the snowpack simulations caused higher releases of CO2 between November and March and greater uptake of CO2 between June and August for latitudes north of 30??N. We coupled the monthly estimates of CO2 exchange, the seasonal carbon dioxide flux fields generated by the HAMOCC3 seasonal ocean carbon cycle model, and fossil fuel source fields derived from standard sources to the three-dimensional atmospheric transport model TM2 forced by observed winds to simulate the seasonal cycle of atmospheric CO2 at each of seven high latitude monitoring stations, in comparison to the CO2 concentrations simulated with the baseline fluxes of each TBM, concentrations simulated using the snowpack fluxes are generally in better agreement with observed concentrations between August and March at each of the monitoring stations. Thus, representation of the insulative effects of snowpack in TBMs generally improves simulation of atmospheric CO2 concentrations in high latitudes during both the late growing season and nongrowing season. These simulations highlight the global importance of biogeochemical processes during the nongrowing season in estimating carbon balance of ecosystems in northern high and temperate latitudes.

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.

High temperature NASP engine seals: A technology review

NASA Technical Reports Server (NTRS)

Steinetz, Bruce M.; Dellacorte, Christopher; Tong, Mike

1991-01-01

Progress in developing advanced high temperature engine seal concepts and related sealing technologies for advanced hypersonic engines are reviewed. Design attributes and issues requiring further development for both the ceramic wafer seal and the braided ceramic rope seal are examined. Leakage data are presented for these seals for engine simulated pressure and temperature conditions and compared to a target leakage limit. Basic elements of leakage flow models to predict leakage rates for each of these seals over the wide range of pressure and temperature conditions anticipated in the engine are also presented.

Coupled Long-Term Simulation of Reach-Scale Water and Heat Fluxes Across the River-Groundwater Interface for Retrieving Hyporheic Residence Times and Temperature Dynamics

NASA Astrophysics Data System (ADS)

Munz, Matthias; Oswald, Sascha E.; Schmidt, Christian

2017-11-01

Flow patterns in conjunction with seasonal and diurnal temperature variations control ecological and biogeochemical conditions in hyporheic sediments. In particular, hyporheic temperatures have a great impact on many temperature-sensitive microbial processes. In this study, we used 3-D coupled water flow and heat transport simulations applying the HydroGeoSphere code in combination with high-resolution observations of hydraulic heads and temperatures to quantify reach-scale water and heat flux across the river-groundwater interface and hyporheic temperature dynamics of a lowland gravel bed river. The model was calibrated in order to constrain estimates of the most sensitive model parameters. The magnitude and variations of the simulated temperatures matched the observed ones, with an average mean absolute error of 0.7°C and an average Nash Sutcliffe efficiency of 0.87. Our results indicate that nonsubmerged streambed structures such as gravel bars cause substantial thermal heterogeneity within the saturated sediment at the reach scale. Individual hyporheic flow path temperatures strongly depend on the flow path residence time, flow path depth, river, and groundwater temperature. Variations in individual hyporheic flow path temperatures were up to 7.9°C, significantly higher than the daily average (2.8°C), but still lower than the average seasonal hyporheic temperature difference (19.2°C). The distribution between flow path temperatures and residence times follows a power law relationship with exponent of about 0.37. Based on this empirical relation, we further estimated the influence of hyporheic flow path residence time and temperature on oxygen consumption which was found to partly increase by up to 29% in simulations.

Temperature and solute-transport simulation in streamflow using a Lagrangian reference frame

USGS Publications Warehouse

Jobson, Harvey E.

1980-01-01

A computer program for simulating one-dimensional, unsteady temperature and solute transport in a river has been developed and documented for general use. The solution approach to the convective-diffusion equation uses a moving reference frame (Lagrangian) which greatly simplifies the mathematics of the solution procedure and dramatically reduces errors caused by numerical dispersion. The model documentation is presented as a series of four programs of increasing complexity. The conservative transport model can be used to route a single conservative substance. The simplified temperature model is used to predict water temperature in rivers when only temperature and windspeed data are available. The complete temperature model is highly accurate but requires rather complete meteorological data. Finally, the 10-parameter model can be used to route as many as 10 interacting constituents through a river reach. (USGS)

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

Thermal design and simulation of an attitude-varied space camera

NASA Astrophysics Data System (ADS)

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

2015-10-01

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

Simulating extreme environments: Ergonomic evaluation of Chinese pilot performance and heat stress tolerance.

PubMed

Li, Jing; Tian, Yinsheng; Ding, Li; Zou, Huijuan; Ren, Zhaosheng; Shi, Liyong; Feathers, David; Wang, Ning

2015-06-05

High-temperatures in the cockpit environment can adversely influence pilot behavior and performance. To investigate the impact of high thermal environments on Chinese pilot performance in a simulated cockpit environment. Ten subjects volunteered to participate in the tests under 40°C and 45°C high-temperature simulations in an environmentally controlled chamber. Measures such as grip strength, perception, dexterity, somatic sense reaction, and analytical reasoning were taken. The results were compared to the Combined Index of Heat Stress (CIHS). CIHS exceeded the heat stress safety limit after 45 min under 40°C, grip strength decreased by 12% and somatic perception became 2.89 times larger than the initial value. In the case of 45°C, CIHS exceeded the safety limit after only 20 min, while the grip strength decreased just by 3.2% and somatic perception increased to 4.36 times larger than the initial value. Reaction and finger dexterity were not statistically different from baseline measurements, but the error rate of analytical reasoning test rose remarkably. Somatic perception was the most sensitive index to high-temperature, followed by grip strength. Results of this paper may help to improve environmental control design of new fighter cockpit and for pilot physiology and cockpit environment ergonomics research for Chinese pilots.

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

DOE PAGES

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

2018-01-11

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

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

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

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

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

Laboratory simulation of infrared astrophysical features. Ph.D. Thesis; [emission spectra of comets

NASA Technical Reports Server (NTRS)

Rose, L. A.

1977-01-01

Intermediate resolution emission spectroscopy was used to study a group of 9 terrestrial silicates, 1 synthetic silicate, 6 meteorites and 2 lunar soils; comparisons were made with the intermediate resolution spectra of Comet Kohoutek in order to determine which materials best simulate the 10um astrophysical feature. Mixtures of silicates which would yield spectra matching the spectrum of the comet in the 10um region include: (1) A hydrous layer lattice silicate in combination with a high temperature condensate; (2) an amorphous magnesium silicate in combination with a high temperature condensate and (3) glassy olivine and glassy anorthite in approximately equal proportions.

Numerical and experimental studies of particle flow in a high-pressure boundary-layer wind tunnel

NASA Technical Reports Server (NTRS)

White, B. R.

1984-01-01

The approach was to simulate the surface environment of Venus as closely as practicable and to conduct experiments to determine threshold wind speeds, particle flux, particle velocities, and the characteristics of various aeolian bedforms. The Venus Wind Tunnel (VWT) is described and the experimental procedures that were developed to make the high-pressure wind tunnel measurements are presented. In terrestrial simulations of aeolian activity, it is possible to conduct experiments under pressures and temperatures found in natural environments. Because of the high pressures and temperatures, Venusian simulations are difficult to achieve in this regard. Consequently, extrapolation of results to Venue potentially involves unknown factors. The experimental rationale was developed in the following way: The VWT enables the density of the Venusian atmosphere to be reproduced. Density is the principal atmospheric property for governing saltation threshold, particle flux, and the ballistics of airborne particles (equivalent density maintains dynamic similarity of gas flow). When operated at or near Earth's ambient temperature, VWT achieves Venusian atmospheric density at pressures of about 30 bar, or about one third less than those on Venus, although still maintaining dynamic similarity to Venus.

A novel method for computing effective diffusivity: Application to helium implanted α-Fe thin films

NASA Astrophysics Data System (ADS)

Dunn, Aaron; Agudo-Merida, Laura; Martin-Bragado, Ignacio; McPhie, Mathieu; Cherkaoui, Mohammed; Capolungo, Laurent

2014-05-01

The effective diffusivity of helium in thin iron films is quantified using spatially resolved stochastic cluster dynamics and object kinetic Monte Carlo simulations. The roles of total displacement dose (in DPA), damage rate, helium to DPA ratio, layer thickness, and damage type (cascade damage vs Frenkel pair implantation) on effective He diffusivity are investigated. Helium diffusivity is found to decrease with increasing total damage and decreasing damage rate. Arrhenius plots show strongly increased helium diffusivity at high temperatures, high total implantation, and low implantation rates due to decreased vacancy and vacancy cluster concentrations. At low temperatures, effective diffusivity is weakly dependent on foil thickness while at high temperatures, narrower foils prevent defect accumulation by releasing all defects at the free surfaces. Helium to DPA ratio is not shown to strongly change helium diffusivity in the range of irradiation conditions simulated. Frenkel pair implantation is shown to cause higher effective diffusivity and more complex diffusion mechanisms than cascade implantation. The results of these simulations indicate that the differences in damage rates between implantation experiments and fission or fusion environments may result in differences in the final microstructure.

An overview of computational simulation methods for composite structures failure and life analysis

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

1993-01-01

Three parallel computational simulation methods are being developed at the LeRC Structural Mechanics Branch (SMB) for composite structures failure and life analysis: progressive fracture CODSTRAN; hierarchical methods for high-temperature composites; and probabilistic evaluation. Results to date demonstrate that these methods are effective in simulating composite structures failure/life/reliability.

Gradient Theory simulations of pure fluid interfaces using a generalized expression for influence parameters and a Helmholtz energy equation of state for fundamentally consistent two-phase calculations

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

Dahms, Rainer N.

2014-12-31

The fidelity of Gradient Theory simulations depends on the accuracy of saturation properties and influence parameters, and require equations of state (EoS) which exhibit a fundamentally consistent behavior in the two-phase regime. Widely applied multi-parameter EoS, however, are generally invalid inside this region. Hence, they may not be fully suitable for application in concert with Gradient Theory despite their ability to accurately predict saturation properties. The commonly assumed temperature-dependence of pure component influence parameters usually restricts their validity to subcritical temperature regimes. This may distort predictions for general multi-component interfaces where temperatures often exceed the critical temperature of vapor phasemore » components. Then, the calculation of influence parameters is not well defined. In this paper, one of the first studies is presented in which Gradient Theory is combined with a next-generation Helmholtz energy EoS which facilitates fundamentally consistent calculations over the entire two-phase regime. Illustrated on pentafluoroethane as an example, reference simulations using this method are performed. They demonstrate the significance of such high-accuracy and fundamentally consistent calculations for the computation of interfacial properties. These reference simulations are compared to corresponding results from cubic PR EoS, widely-applied in combination with Gradient Theory, and mBWR EoS. The analysis reveals that neither of those two methods succeeds to consistently capture the qualitative distribution of obtained key thermodynamic properties in Gradient Theory. Furthermore, a generalized expression of the pure component influence parameter is presented. This development is informed by its fundamental definition based on the direct correlation function of the homogeneous fluid and by presented high-fidelity simulations of interfacial density profiles. As a result, the new model preserves the accuracy of previous temperature-dependent expressions, remains well-defined at supercritical temperatures, and is fully suitable for calculations of general multi-component two-phase interfaces.« less

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.

An Improved Simulation of the Diurnally Varying Street Canyon Flow

NASA Astrophysics Data System (ADS)

Yaghoobian, Neda; Kleissl, Jan; Paw U, Kyaw Tha

2012-11-01

The impact of diurnal variation of temperature distribution over building and ground surfaces on the wind flow and scalar transport in street canyons is numerically investigated using the PArallelized LES Model (PALM). The Temperature of Urban Facets Indoor-Outdoor Building Energy Simulator (TUF-IOBES) is used for predicting urban surface heat fluxes as boundary conditions for a modified version of PALM. TUF-IOBES dynamically simulates indoor and outdoor building surface temperatures and heat fluxes in an urban area taking into account weather conditions, indoor heat sources, building and urban material properties, composition of the building envelope (e.g. windows, insulation), and HVAC equipment. Temperature (and heat flux) distribution over urban surfaces of the 3-D raster-type geometry of TUF-IOBES makes it possible to provide realistic, high resolution boundary conditions for the numerical simulation of flow and scalar transport in an urban canopy. Compared to some previous analyses using uniformly distributed thermal forcing associated with urban surfaces, the present analysis shows that resolving non-uniform thermal forcings can provide more detailed and realistic patterns of the local air flow and pollutant dispersion in urban canyons.

Heat shock protein 70 as a biomarker of heat stress in a simulated hot cockpit.

PubMed

Kumar, Yadunanda; Chawla, Anuj; Tatu, Utpal

2003-07-01

Fighter pilots are frequently exposed to high temperatures during high-speed low-level flight. Heat strain can result in temporary impairment of cognitive functions and when severe, loss of consciousness and consequent loss of life and equipment. Induction of stress proteins is a highly conserved stress response mechanism from bacteria to humans. Induced stress protein levels are known to be cytoprotective and have been correlated with stress tolerance. Although many studies on the heat shock response mechanisms have been performed in cell culture and animal model systems, there is very limited information on stress protein induction in human subjects. Heat shock proteins (Hsp), especially Hsp70, may be induced in human subjects exposed to high temperatures in a hot cockpit designed to simulate heat stress experienced in low flying sorties. Six healthy volunteers were subjected to heat stress at 55 degrees C in a high temperature cockpit simulator for a period of 1 h at 30% humidity. Physiological parameters such as oral and skin temperatures, heart rate, and sweat rate were monitored regularly during this time. The level of Hsp70 in leukocytes was examined before and after the heat exposure in each subject. Hsp70 was found to be significantly induced in all the six subjects exposed to heat stress. The level of induced Hsp70 appears to correlate with other strain indicators such as accumulative circulatory strain and Craig's modified index. The usefulness of Hsp70 as a molecular marker of heat stress in humans is discussed.

An ultrasound-based system for temperature distribution measurements in injection moulding: system design, simulations and off-line test measurements in water

NASA Astrophysics Data System (ADS)

Praher, Bernhard; Straka, Klaus; Steinbichler, Georg

2013-08-01

The polymer melt temperature in the screw ante-chamber of an injection moulding machine influences a number of parameters during the polymer process and therefore the final product quality. For measurement of this temperature, a sensor must be non-invasive (because of the axial moved screw during the injection of the plasticized polymer into the mould) and withstand the high pressure (>1000 bar) and temperature (>200 °C) during the injection moulding process. It is well known that the temperature of the polymer melt in the screw ante-chamber is inhomogeneous, and for that reason the sensor system must be able to measure the temperature spatially resolved. Due to the fact that sound velocity is temperature dependent, we developed a non-invasive tomography system using the transit times of ultrasonic pulses along different sound paths for calculating the temperature distribution in a polymer melt. Simulation results and example experiments at a test measurement setup are shown. Moreover, different strategies for the ultrasonic probe design (buffer rods, generation of wide beam angle) are discussed. The results of the proposed system are important for the validation of numerical simulations, a better understanding of the plasticizing process and can be used for the input of a novel temperature control system.

A computational fluid dynamics simulation of high- and low-current arcs in self-blast circuit breakers

NASA Astrophysics Data System (ADS)

Claessens, M.; Möller, K.; Thiel, H. G.

1997-07-01

Computational fluid dynamics calculations for high- and low-current arcs in an interrupter of the self-blast type have been performed. The mixing process of the hot PTFE cloud with the cold 0022-3727/30/13/011/img6 in the pressure chamber is strongly inhomogeneous. The existence of two different species has been taken into account by interpolation of the material functions according to their mass fraction in each grid cell. Depending on the arcing time, fault current and interrupter geometry, blow temperatures of up to 2000 K have been found. The simulation results for a decaying arc immediately before current zero yield a significantly reduced arc cooling at the stagnation point for high blow temperatures.

Long-duration heat load measurement approach by novel apparatus design and highly efficient algorithm

NASA Astrophysics Data System (ADS)

Zhu, Yanwei; Yi, Fajun; Meng, Songhe; Zhuo, Lijun; Pan, Weizhen

2017-11-01

Improving the surface heat load measurement technique for vehicles in aerodynamic heating environments is imperative, regarding aspects of both the apparatus design and identification efficiency. A simple novel apparatus is designed for heat load identification, taking into account the lessons learned from several aerodynamic heating measurement devices. An inverse finite difference scheme (invFDM) for the apparatus is studied to identify its surface heat flux from the interior temperature measurements with high efficiency. A weighted piecewise regression filter is also proposed for temperature measurement prefiltering. Preliminary verification of the invFDM scheme and the filter is accomplished via numerical simulation experiments. Three specific pieces of apparatus have been concretely designed and fabricated using different sensing materials. The aerodynamic heating process is simulated by an inductively coupled plasma wind tunnel facility. The identification of surface temperature and heat flux from the temperature measurements is performed by invFDM. The results validate the high efficiency, reliability and feasibility of heat load measurements with different heat flux levels utilizing the designed apparatus and proposed method.

Pyrite oxidation under simulated acid rain weathering conditions.

PubMed

Zheng, Kai; Li, Heping; Wang, Luying; Wen, Xiaoying; Liu, Qingyou

2017-09-01

We investigated the electrochemical corrosion behavior of pyrite in simulated acid rain with different acidities and at different temperatures. The cyclic voltammetry, polarization curve, and electrochemical impedance spectroscopy results showed that pyrite has the same electrochemical interaction mechanism under different simulated acid rain conditions, regardless of acidity or environmental temperature. Either stronger acid rain acidity or higher environmental temperature can accelerate pyrite corrosion. Compared with acid rain having a pH of 5.6 at 25 °C, the prompt efficiency of pyrite weathering reached 104.29% as the acid rain pH decreased to 3.6, and it reached 125.31% as environmental temperature increased to 45 °C. Increasing acidity dramatically decreases the charge transfer resistance, and increasing temperature dramatically decreases the passivation film resistance, when other conditions are held constant. Acid rain always causes lower acidity mine drainage, and stronger acidity or high environmental temperatures cause serious acid drainage. The natural parameters of latitude, elevation, and season have considerable influence on pyrite weathering, because temperature is an important influencing factor. These experimental results are of direct significance for the assessment and management of sulfide mineral acid drainage in regions receiving acid rain.

Characterization of Air and Ground Temperature Relationships within the CMIP5 Historical and Future Climate Simulations

NASA Astrophysics Data System (ADS)

García-García, A.; Cuesta-Valero, F. J.; Beltrami, H.; Smerdon, J. E.

2017-12-01

The relationships between air and ground surface temperatures across North America are examined in the historical and future projection simulations from 32 General Circulation Models (GCMs) included in the fifth phase of the Coupled Model Intercomparison Project (CMIP5). The covariability between surface air (2 m) and ground surface temperatures (10 cm) is affected by simulated snow cover, vegetation cover and precipitation through changes in soil moisture at the surface. At high latitudes, the differences between air and ground surface temperatures, for all CMIP5 simulations, are related to the insulating effect of snow cover and soil freezing phenomena. At low latitudes, the differences between the two temperatures, for the majority of simulations, are inversely proportional to leaf area index and precipitation, likely due to induced-changes in latent and sensible heat fluxes at the ground surface. Our results show that the transport of energy across the air-ground interface differs from observations and among GCM simulations, by amounts that depend on the components of the land-surface models that they include. The large variability among GCMs and the marked dependency of the results on the choice of the land-surface model, illustrate the need for improving the representation of processes controlling the coupling of the lower atmosphere and the land surface in GCMs as a means of reducing the variability in their representation of weather and climate phenomena, with potentially important implications for positive climate feedbacks such as permafrost and soil carbon stability.

Simulation of Inviscid Compressible Multi-Phase Flow with Condensation

NASA Technical Reports Server (NTRS)

Kelleners, Philip

2003-01-01

Condensation of vapours in rapid expansions of compressible gases is investigated. In the case of high temperature gradients the condensation will start at conditions well away from thermodynamic equilibrium of the fluid. In those cases homogeneous condensation is dominant over heterogeneous condensation. The present work is concerned with development of a simulation tool for computation of high speed compressible flows with homogeneous condensation. The resulting ow solver should preferably be accurate and robust to be used for simulation of industrial flows in general geometries.

Molecular dynamics modelling of solidification in metals

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

Boercker, D.B.; Belak, J.; Glosli, J.

1997-12-31

Molecular dynamics modeling is used to study the solidification of metals at high pressure and temperature. Constant pressure MD is applied to a simulation cell initially filled with both solid and molten metal. The solid/liquid interface is tracked as a function of time, and the data are used to estimate growth rates of crystallites at high pressure and temperature in Ta and Mg.

Simulating sunflower canopy temperatures to infer root-zone soil water potential

NASA Technical Reports Server (NTRS)

Choudhury, B. J.; Idso, S. B.

1983-01-01

A soil-plant-atmosphere model for sunflower (Helianthus annuus L.), together with clear sky weather data for several days, is used to study the relationship between canopy temperature and root-zone soil water potential. Considering the empirical dependence of stomatal resistance on insolation, air temperature and leaf water potential, a continuity equation for water flux in the soil-plant-atmosphere system is solved for the leaf water potential. The transpirational flux is calculated using Monteith's combination equation, while the canopy temperature is calculated from the energy balance equation. The simulation shows that, at high soil water potentials, canopy temperature is determined primarily by air and dew point temperatures. These results agree with an empirically derived linear regression equation relating canopy-air temperature differential to air vapor pressure deficit. The model predictions of leaf water potential are also in agreement with observations, indicating that measurements of canopy temperature together with a knowledge of air and dew point temperatures can provide a reliable estimate of the root-zone soil water potential.

High-Temperature Properties of Mold Flux Observed and Measured In Situ by Single/Double Hot-Thermocouple Technique

NASA Astrophysics Data System (ADS)

Wang, Wanlin; Lyu, Peisheng; Zhou, Lejun; Li, Huan; Zhang, Tongsheng

2018-05-01

Mold flux plays very important roles in the continuous casting process, and its high-temperature properties affect the quality of the final as-cast product greatly. Investigations on the melting, isothermal and nonisothermal crystallization, and phase evolution behaviors under a simulated temperature field for the mold flux system using the single/double hot-thermocouple technique (S/DHTT) were reviewed. Meanwhile, further in situ observations on the wetting behavior and heat transfer ability of the mold flux system were also carried out using the S/DHTT. The results summarized here provide a clear understanding of both the high-temperature properties of mold flux and the detailed application of advanced real-time visual high-temperature S/DHTT to this molten slag system.

Impacts of convection on high-temperature aquifer thermal energy storage

NASA Astrophysics Data System (ADS)

Beyer, Christof; Hintze, Meike; Bauer, Sebastian

2016-04-01

Seasonal subsurface heat storage is increasingly used in order to overcome the temporal disparities between heat production from renewable sources like solar thermal installations or from industrial surplus heat and the heat demand for building climatisation or hot water supply. In this context, high-temperature aquifer thermal energy storage (ATES) is a technology to efficiently store and retrieve large amounts of heat using groundwater wells in an aquifer to inject or withdraw hot or cold water. Depending on the local hydrogeology and temperature amplitudes during high-temperature ATES, density differences between the injected hot water and the ambient groundwater may induce significant convective flow components in the groundwater flow field. As a consequence, stored heat may accumulate at the top of the storage aquifer which reduces the heat recovery efficiency of the ATES system. Also, an accumulation of heat at the aquifer top will induce increased emissions of heat to overlying formations with potential impacts on groundwater quality outside of the storage. This work investigates the impacts of convective heat transport on the storage efficiency of a hypothetical high-temperature ATES system for seasonal heat storage as well as heat emissions to neighboring formations by numerical scenario simulations. The coupled groundwater flow and heat transport code OpenGeoSys is used to simulate a medium scale ATES system operating in a sandy aquifer of 20 m thickness with an average groundwater temperature of 10°C and confining aquicludes at top and bottom. Seasonal heat storage by a well doublet (i.e. one fully screened "hot" and "cold" well, respectively) is simulated over a period of 10 years with biannual injection / withdrawal cycles at pumping rates of 15 m³/h and for different scenarios of the temperature of the injected water (20, 35, 60 and 90 °C). Simulation results show, that for the simulated system significant convective heat transport sets in when injection temperatures exceed 35°C. Convection results in an accumulation of heat below the upper confining layer. The consequential increase of the heat plume contact area with this formation results in increased conductive heat transfer. Also, thermal gradients between the heat plume and the ambient groundwater increase with injection temperature, which increases heat conduction within the aquifer. Both effects reduce the thermal recovery of the ATES system. At the end of the 10th injection / withdrawal cycle the efficiency of thermal recovery thus reaches about 76 % for the 20°C scenario, 74% for 35°C, 71 % for 60°C and 66 % for the 90 °C scenario. Sensitivity analysis indicates that permeability in horizontal and vertical directions are controlling factors for the extent of convective heat displacement. Also, heat plume dimensions are influenced by permeability, and to a lesser extent by heat capacity and porosity of the aquifer. The planning of high-temperature ATES at a specific site hence requires a careful investigation of hydraulic and heat transport properties. Acknowledgments: This work is part of the ANGUS+ project (www.angusplus.de) and funded by the German Federal Ministry of Education and Research (BMBF) as part of the energy storage initiative "Energiespeicher".

High resolution simulations of orographic flow over a complex terrain on the Southeast coast of Brazil

NASA Astrophysics Data System (ADS)

Chou, S. C.; Zolino, M. M.; Gomes, J. L.; Bustamante, J. F.; Lima-e-Silva, P. P.

2012-04-01

The Eta Model is used operationally by CPTEC to produce weather forecasts over South America since 1997. The model has gone through upgrades. In order to prepare the model for operational higher resolution forecasts, the model is configured and tested over a region of complex topography located near the coast of Southeast Brazil. The Eta Model was configured, with 2-km horizontal resolution and 50 layers. The Eta-2km is a second nesting, it is driven by Eta-15km, which in its turn is driven by Era-Interim reanalyses. The model domain includes the two Brazilians cities, Rio de Janeiro and Sao Paulo, urban areas, preserved tropical forest, pasture fields, and complex terrain and coastline. Mountains can rise up to about 700m. The region suffers frequent events of floods and landslides. The objective of this work is to evaluate high resolution simulations of wind and temperature in this complex area. Verification of model runs uses observations taken from the nuclear power plant. Accurate near-surface wind direction and magnitude are needed for the plant emergency plan and winds are highly sensitive to model spatial resolution and atmospheric stability. Verification of two cases during summer shows that model has clear diurnal cycle signal for wind in that region. The area is characterized by weak winds which makes the simulation more difficult. The simulated wind magnitude is about 1.5m/s, which is close to observations of about 2m/s; however, the observed change of wind direction of the sea breeze is fast whereas it is slow in the simulations. Nighttime katabatic flow is captured by the simulations. Comparison against Eta-5km runs show that the valley circulation is better described in the 2-km resolution run. Simulated temperatures follow closely the observed diurnal cycle. Experiments improving some surface conditions such as the surface temperature and land cover show simulation error reduction and improved diurnal cycle.

Numerical analysis of thermal drilling technique on titanium sheet metal

NASA Astrophysics Data System (ADS)

Kumar, R.; Hynes, N. Rajesh Jesudoss

2018-05-01

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

High-temperature MIRAGE XL (LFRA) IRSP system development

NASA Astrophysics Data System (ADS)

McHugh, Steve; Franks, Greg; LaVeigne, Joe

2017-05-01

The development of very-large format infrared detector arrays has challenged the IR scene projector community to develop larger-format infrared emitter arrays. Many scene projector applications also require much higher simulated temperatures than can be generated with current technology. This paper will present an overview of resistive emitterbased (broadband) IR scene projector system development, as well as describe recent progress in emitter materials and pixel designs applicable for legacy MIRAGE XL Systems to achieve apparent temperatures >1000K in the MWIR. These new high temperature MIRAGE XL (LFRA) Digital Emitter Engines (DEE) will be "plug and play" equivalent with legacy MIRAGE XL DEEs, the rest of the system is reusable. Under the High Temperature Dynamic Resistive Array (HDRA) development program, Santa Barbara Infrared Inc. (SBIR) is developing a new infrared scene projector architecture capable of producing both very large format (>2k x 2k) resistive emitter arrays and improved emitter pixel technology capable of simulating very high apparent temperatures. During earlier phases of the program, SBIR demonstrated materials with MWIR apparent temperatures in excess of 1500 K. These new emitter materials can be utilized with legacy RIICs to produce pixels that can achieve 7X the radiance of the legacy systems with low cost and low risk. A 'scalable' Read-In Integrated Circuit (RIIC) is also being developed under the same HDRA program to drive the high temperature pixels. This RIIC will utilize through-silicon via (TSV) and Quilt Packaging (QP) technologies to allow seamless tiling of multiple chips to fabricate very large arrays, and thus overcome the yield limitations inherent in large-scale integrated circuits. These quilted arrays can be fabricated in any N x M size in 512 steps.

Regional scaling of annual mean precipitation and water availability with global temperature change

NASA Astrophysics Data System (ADS)

Greve, Peter; Gudmundsson, Lukas; Seneviratne, Sonia I.

2018-03-01

Changes in regional water availability belong to the most crucial potential impacts of anthropogenic climate change, but are highly uncertain. It is thus of key importance for stakeholders to assess the possible implications of different global temperature thresholds on these quantities. Using a subset of climate model simulations from the fifth phase of the Coupled Model Intercomparison Project (CMIP5), we derive here the sensitivity of regional changes in precipitation and in precipitation minus evapotranspiration to global temperature changes. The simulations span the full range of available emission scenarios, and the sensitivities are derived using a modified pattern scaling approach. The applied approach assumes linear relationships on global temperature changes while thoroughly addressing associated uncertainties via resampling methods. This allows us to assess the full distribution of the simulations in a probabilistic sense. Northern high-latitude regions display robust responses towards wetting, while subtropical regions display a tendency towards drying but with a large range of responses. Even though both internal variability and the scenario choice play an important role in the overall spread of the simulations, the uncertainty stemming from the climate model choice usually accounts for about half of the total uncertainty in most regions. We additionally assess the implications of limiting global mean temperature warming to values below (i) 2 K or (ii) 1.5 K (as stated within the 2015 Paris Agreement). We show that opting for the 1.5 K target might just slightly influence the mean response, but could substantially reduce the risk of experiencing extreme changes in regional water availability.

Cyclic high temperature heat storage using borehole heat exchangers

NASA Astrophysics Data System (ADS)

Boockmeyer, Anke; Delfs, Jens-Olaf; Bauer, Sebastian

2016-04-01

The transition of the German energy supply towards mainly renewable energy sources like wind or solar power, termed "Energiewende", makes energy storage a requirement in order to compensate their fluctuating production and to ensure a reliable energy and power supply. One option is to store heat in the subsurface using borehole heat exchangers (BHEs). Efficiency of thermal storage is increasing with increasing temperatures, as heat at high temperatures is more easily injected and extracted than at temperatures at ambient levels. This work aims at quantifying achievable storage capacities, storage cycle times, injection and extraction rates as well as thermal and hydraulic effects induced in the subsurface for a BHE storage site in the shallow subsurface. To achieve these aims, simulation of these highly dynamic storage sites is performed. A detailed, high-resolution numerical simulation model was developed, that accounts for all BHE components in geometrical detail and incorporates the governing processes. This model was verified using high quality experimental data and is shown to achieve accurate simulation results with excellent fit to the available experimental data, but also leads to large computational times due to the large numerical meshes required for discretizing the highly transient effects. An approximate numerical model for each type of BHE (single U, double U and coaxial) that reduces the number of elements and the simulation time significantly was therefore developed for use in larger scale simulations. The approximate numerical model still includes all BHE components and represents the temporal and spatial temperature distribution with a deviation of less than 2% from the fully discretized model. Simulation times are reduced by a factor of ~10 for single U-tube BHEs, ~20 for double U-tube BHEs and ~150 for coaxial BHEs. This model is then used to investigate achievable storage capacity, injection and extraction rates as well as induced effects for varying storage cycle times, operating conditions and storage set-ups. A sensitivity analysis shows that storage efficiency strongly depends on the number of BHEs composing the storage site and the cycle time. Using a half-yearly cycle of heat injection and extraction with the maximum possible rates shows that the fraction of recovered heat increases with the number of storage cycles used, as initial losses due to heat conduction become smaller. Also, overall recovery rates of 70 to 80% are possible in the set-ups investigated. Temperature distribution in the geological heat storage site is most sensitive to the thermal conductivity of both borehole grouting and storage formation, while storage efficiency is dominated by the thermal conductivity of the storage formation. For the large cycle times of 6 months each used, heat capacity is less sensitive than the heat conductivity. Acknowledgments: This work is part of the ANGUS+ project (www.angusplus.de) and funded by the German Federal Ministry of Education and Research (BMBF) as part of the energy storage initiative "Energiespeicher".

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

DOE PAGES

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

2016-04-28

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

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

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

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

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

Langley test highlights, 1982

NASA Technical Reports Server (NTRS)

1983-01-01

A 20 ft vertical spin tunnel, a 30 by 60 ft tunnel, a 7 by 10 ft high speed tunnel, a 4 by 7 meter tunnel, an 8 ft transonic pressure tunnel, a transonic dynamics tunnel, a 16 ft transonic tunnel, a national transonic facility, a 0.3 meter transonic cryogenic tunnel, a unitary plan wind tunnel, a hypersonic facilities complex, an 8 ft high temperature tunnel, an aircraft noise reduction lab, an avionics integration research lab, a DC9 full workload simulator, a transport simulator, a general aviation simulator, an advanced concepts simulator, a mission oriented terminal area simulation (MOTAS), a differential maneuvering simulator, a visual/motion simulator, a vehicle antenna test facility, an impact dynamics research facility, and a flight research facility are all reviewed.

Projected changes in climate extremes over Qatar and the Arabian Gulf region

NASA Astrophysics Data System (ADS)

Kundeti, K.; Kanikicharla, K. K.; Al sulaiti, M.; Khulaifi, M.; Alboinin, N.; Kito, A.

2015-12-01

The climate of the State of Qatar and the adjacent region is dominated by subtropical dry, hot desert climate with low annual rainfall, very high temperatures in summer and a big difference between maximum and minimum temperatures, especially in the inland areas. The coastal areas are influenced by the Arabian Gulf, and have lower maximum, but higher minimum temperatures and a higher moisture percentage in the air. The global warming can have profound impact on the mean climate as well as extreme weather events over the Arabian Peninsula that may affect both natural and human systems significantly. Therefore, it is important to assess the future changes in the seasonal/annual mean of temperature and precipitation and also the extremes in temperature and wind events for a country like Qatar. This study assesses the performance of the Coupled Model Inter comparison Project Phase 5 (CMIP5) simulations in present and develops future climate scenarios. The changes in climate extremes are assessed for three future periods 2016-2035, 2046-2065 and 2080-2099 with respect to 1986-2005 (base line) under two RCPs (Representative Concentrate Pathways) - RCP4.5 and RCP8.5. We analyzed the projected changes in temperature and precipitation extremes using several indices including those that capture heat stress. The observations show an increase in warm extremes over many parts in this region that are generally well captured by the models. The results indicate a significant change in frequency and intensity of both temperature and precipitation extremes over many parts of this region which may have serious implications on human health, water resources and the onshore/offshore infrastructure in this region. Data from a high-resolution (20km) AGCM simulation from Meteorological Research Institute of Japan Meteorological Agency for the present (1979-2003) and a future time slice (2075-2099) corresponding to RCP8.5 have also been utilized to assess the impact of climate change on regional climate extremes as well. The scenarios generated with the high-resolution model simulation were compared with the coarse resolution CMIP5 model scenarios to identify region specific features that might be better resolved in the former simulation.

Communication: Simple liquids' high-density viscosity

NASA Astrophysics Data System (ADS)

Costigliola, Lorenzo; Pedersen, Ulf R.; Heyes, David M.; Schrøder, Thomas B.; Dyre, Jeppe C.

2018-02-01

This paper argues that the viscosity of simple fluids at densities above that of the triple point is a specific function of temperature relative to the freezing temperature at the density in question. The proposed viscosity expression, which is arrived at in part by reference to the isomorph theory of systems with hidden scale invariance, describes computer simulations of the Lennard-Jones system as well as argon and methane experimental data and simulation results for an effective-pair-potential model of liquid sodium.

Adaptive Beam Loading Compensation in Room Temperature Bunching Cavities

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

Edelen, J. P.; Chase, B. E.; Cullerton, E.

In this paper we present the design, simulation, and proof of principle results of an optimization based adaptive feedforward algorithm for beam-loading compensation in a high impedance room temperature cavity. We begin with an overview of prior developments in beam loading compensation. Then we discuss different techniques for adaptive beam loading compensation and why the use of Newton?s Method is of interest for this application. This is followed by simulation and initial experimental results of this method.

Methodology of investigation of ultra high temperature ceramics thermochemical stability and catalycity

NASA Astrophysics Data System (ADS)

Vaganov, A. V.; Zhestkov, B. E.; Lyamin, Yu. B.; Poilov, V. Z.; Pryamilova, E. N.

2016-10-01

The 12 ceramics samples of Ural Research Institute of Composite Materials were investigated in the wind tunnel VAT-104 of TsAGI in air plasma flow which simulated the hypervelocity flight. Model used were discs and blunted cones. All samples had withstood the tests without decomposition, the sample temperature and test time being respectively up to 2800 K and 1200 seconds. It was found there is a big delay in heating of the samples, thought they are of great thermo conductivity. A very interesting phenomenon, the formation of highly catalytic thermo barrier film on the front surface of sample, was also observed. It was a formation of this film that coursed a jump of 500-1000 K of surface temperature during the test. The sample catalytic activity was evaluated using modernized methodology based upon parametrical numerical simulation.

Mercedes-Benz water molecules near hydrophobic wall: Integral equation theories vs Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Urbic, T.; Holovko, M. F.

2011-10-01

Associative version of Henderson-Abraham-Barker theory is applied for the study of Mercedes-Benz model of water near hydrophobic surface. We calculated density profiles and adsorption coefficients using Percus-Yevick and soft mean spherical associative approximations. The results are compared with Monte Carlo simulation data. It is shown that at higher temperatures both approximations satisfactory reproduce the simulation data. For lower temperatures, soft mean spherical approximation gives good agreement at low and at high densities while in at mid range densities, the prediction is only qualitative. The formation of a depletion layer between water and hydrophobic surface was also demonstrated and studied.

Mercedes–Benz water molecules near hydrophobic wall: Integral equation theories vs Monte Carlo simulations

PubMed Central

Urbic, T.; Holovko, M. F.

2011-01-01

Associative version of Henderson-Abraham-Barker theory is applied for the study of Mercedes–Benz model of water near hydrophobic surface. We calculated density profiles and adsorption coefficients using Percus-Yevick and soft mean spherical associative approximations. The results are compared with Monte Carlo simulation data. It is shown that at higher temperatures both approximations satisfactory reproduce the simulation data. For lower temperatures, soft mean spherical approximation gives good agreement at low and at high densities while in at mid range densities, the prediction is only qualitative. The formation of a depletion layer between water and hydrophobic surface was also demonstrated and studied. PMID:21992334

Laser High-Cycle Thermal Fatigue of Pulse Detonation Engine Combustor Materials Tested

NASA Technical Reports Server (NTRS)

Zhu, Dong-Ming; Fox, Dennis S.; Miller, Robert A.

2001-01-01

Pulse detonation engines (PDE's) have received increasing attention for future aerospace propulsion applications. Because the PDE is designed for a high-frequency, intermittent detonation combustion process, extremely high gas temperatures and pressures can be realized under the nearly constant-volume combustion environment. The PDE's can potentially achieve higher thermodynamic cycle efficiency and thrust density in comparison to traditional constant-pressure combustion gas turbine engines (ref. 1). However, the development of these engines requires robust design of the engine components that must endure harsh detonation environments. In particular, the detonation combustor chamber, which is designed to sustain and confine the detonation combustion process, will experience high pressure and temperature pulses with very short durations (refs. 2 and 3). Therefore, it is of great importance to evaluate PDE combustor materials and components under simulated engine temperatures and stress conditions in the laboratory. In this study, a high-cycle thermal fatigue test rig was established at the NASA Glenn Research Center using a 1.5-kW CO2 laser. The high-power laser, operating in the pulsed mode, can be controlled at various pulse energy levels and waveform distributions. The enhanced laser pulses can be used to mimic the time-dependent temperature and pressure waves encountered in a pulsed detonation engine. Under the enhanced laser pulse condition, a maximum 7.5-kW peak power with a duration of approximately 0.1 to 0.2 msec (a spike) can be achieved, followed by a plateau region that has about one-fifth of the maximum power level with several milliseconds duration. The laser thermal fatigue rig has also been developed to adopt flat and rotating tubular specimen configurations for the simulated engine tests. More sophisticated laser optic systems can be used to simulate the spatial distributions of the temperature and shock waves in the engine. Pulse laser high-cycle thermal fatigue behavior has been investigated on a flat Haynes 188 alloy specimen, under the test condition of 30-Hz cycle frequency (33-msec pulse period and 10-msec pulse width including a 0.2-msec pulse spike; ref. 4). Temperature distributions were calculated with one-dimensional finite difference models. The calculations show that that the 0.2-msec pulse spike can cause an additional 40 C temperature fluctuation with an interaction depth of 0.08 mm near the specimen surface region. This temperature swing will be superimposed onto the temperature swing of 80 C that is induced by the 10-msec laser pulse near the 0.53-mm-deep surface interaction region.

Routes to High-Temperature Superconductivity: A Lesson from FeSe/SrTiO3

NASA Astrophysics Data System (ADS)

Lee, Dung-Hai

2018-03-01

Raising the superconducting transition temperature to a point where applications are practical is one of the most important challenges in science. In this review, we aim at gaining insights on the Tc controlling factors for a particular high-temperature superconductor family - the FeSe-based superconductors. In particular, we discuss the mechanisms by which the Cooper pairing temperature is enhanced from ˜8 K in bulk FeSe to ˜80 K in the interface between an atomic layer of FeSe and SrTiO3. This includes the experimental hints and the theoretical simulation of the involved mechanisms. We end by applying these insights to suggest some possible high-temperature superconducting systems.

Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite

NASA Astrophysics Data System (ADS)

Moučka, Filip; Kolafa, Jiří; Lísal, Martin; Smith, William R.

2018-06-01

We present a molecular-level simulation study of CaCl2 in water and crystalline hydrates formed by CaCl2 at ambient (298.15 K, 1 bar) conditions and at a high-temperature high-pressure state (365 K, 275 bars) typical of hydraulic fracturing conditions in natural-gas extraction, at which experimental properties are poorly characterized. We focus on simulations of chemical potentials in both solution and crystalline phases and on the salt solubility, the first time to our knowledge that such properties have been investigated by molecular simulation for divalent aqueous electrolytes. We first extend our osmotic ensemble Monte Carlo simulation technique [F. Moučka et al., J. Phys. Chem. B 115, 7849-7861 (2011)] to such solutions. We then describe and apply new methodology for the simulation of the chemical potentials of the experimentally observed crystalline hydrates at ambient conditions (antarcticite, CaCl2.6H2O) and at high-temperature conditions (sinjarite, CaCl2.2H2O). We implement our methodologies using for both phases the CaCl2 transferable force field (FF) based on simple point charge-extended water developed by Mamatkulov et al. [J. Chem. Phys. 138, 024505 (2013)], based on training sets involving single-ion and ion-pair low-concentration solution properties at near-ambient conditions. We find that simulations of the solution chemical potentials at high concentrations are somewhat problematic, exhibiting densities diverging from experimental values and accompanied by dramatically decreasing particle mobility. For the solid phases, the sinjarite crystalline lattice differs from experiment only slightly, whereas the simulations of antarcticite completely fail, due to instability of the crystalline lattice. The FF thus only successfully yields the sinjarite solubility, but its value m = 8.0(7) mol kg-1H2O lies well below the experimentally observed solubility range at 1 bar pressure of (12m, 15m) in the temperature interval (320 K, 400 K). We conclude that the used FF does not provide a good description of the experimental properties considered and suggest that improvement must take into account the crystalline properties.

Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite.

PubMed

Moučka, Filip; Kolafa, Jiří; Lísal, Martin; Smith, William R

2018-06-14

We present a molecular-level simulation study of CaCl 2 in water and crystalline hydrates formed by CaCl 2 at ambient (298.15 K, 1 bar) conditions and at a high-temperature high-pressure state (365 K, 275 bars) typical of hydraulic fracturing conditions in natural-gas extraction, at which experimental properties are poorly characterized. We focus on simulations of chemical potentials in both solution and crystalline phases and on the salt solubility, the first time to our knowledge that such properties have been investigated by molecular simulation for divalent aqueous electrolytes. We first extend our osmotic ensemble Monte Carlo simulation technique [F. Moučka et al., J. Phys. Chem. B 115, 7849-7861 (2011)] to such solutions. We then describe and apply new methodology for the simulation of the chemical potentials of the experimentally observed crystalline hydrates at ambient conditions (antarcticite, CaCl 2 ·6H 2 O) and at high-temperature conditions (sinjarite, CaCl 2 ·2H 2 O). We implement our methodologies using for both phases the CaCl 2 transferable force field (FF) based on simple point charge-extended water developed by Mamatkulov et al. [J. Chem. Phys. 138, 024505 (2013)], based on training sets involving single-ion and ion-pair low-concentration solution properties at near-ambient conditions. We find that simulations of the solution chemical potentials at high concentrations are somewhat problematic, exhibiting densities diverging from experimental values and accompanied by dramatically decreasing particle mobility. For the solid phases, the sinjarite crystalline lattice differs from experiment only slightly, whereas the simulations of antarcticite completely fail, due to instability of the crystalline lattice. The FF thus only successfully yields the sinjarite solubility, but its value m = 8.0(7) mol kg -1 H 2 O lies well below the experimentally observed solubility range at 1 bar pressure of (12m, 15m) in the temperature interval (320 K, 400 K). We conclude that the used FF does not provide a good description of the experimental properties considered and suggest that improvement must take into account the crystalline properties.

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

NASA Astrophysics Data System (ADS)

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

2018-07-01

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

Spatial and Temporal Variations of a Screening Current Induced Magnetic Field in a Double-Pancake HTS Insert of an LTS/HTS NMR Magnet

PubMed Central

Ahn, Min Cheol; Yagai, Tsuyoshi; Hahn, Seungyong; Ando, Ryuya; Bascuñán, Juan; Iwasa, Yukikazu

2010-01-01

This paper presents experimental and simulation results of a screening current induced magnetic field (SCF) in a high temperature superconductor (HTS) insert that constitutes a low-/high-temperature superconductor (LTS/HTS) NMR magnet. In this experiment, the HTS insert, a stack of 50 double-pancake coils, each wound with Bi2223 tape, was operated at 77 K. A screening current was induced in the HTS insert by three magnetic field sources: 1) a self field from the HTS insert; 2) an external field from a 5-T background magnet; and 3) combinations of 1) and 2). For each field excitation, which induced an SCF, its axial field distribution and temporal variations were measured and compared with simulation results based on the critical state model. Agreement on field profile between experiment and simulation is satisfactory but more work is needed to make the simulation useful for designing shim coils that will cancel the SCF. PMID:20401187

Particle-In-Cell simulations of high pressure plasmas using graphics processing units

NASA Astrophysics Data System (ADS)

Gebhardt, Markus; Atteln, Frank; Brinkmann, Ralf Peter; Mussenbrock, Thomas; Mertmann, Philipp; Awakowicz, Peter

2009-10-01

Particle-In-Cell (PIC) simulations are widely used to understand the fundamental phenomena in low-temperature plasmas. Particularly plasmas at very low gas pressures are studied using PIC methods. The inherent drawback of these methods is that they are very time consuming -- certain stability conditions has to be satisfied. This holds even more for the PIC simulation of high pressure plasmas due to the very high collision rates. The simulations take up to very much time to run on standard computers and require the help of computer clusters or super computers. Recent advances in the field of graphics processing units (GPUs) provides every personal computer with a highly parallel multi processor architecture for very little money. This architecture is freely programmable and can be used to implement a wide class of problems. In this paper we present the concepts of a fully parallel PIC simulation of high pressure plasmas using the benefits of GPU programming.

Establishment and analysis of a High-Resolution Assimilation Dataset of the water-energy cycle in China

NASA Astrophysics Data System (ADS)

Wen, Xiaohang; Dong, Wenjie; Yuan, Wenping; Zheng, Zhiyuan

For better prediction and understanding of land-atmospheric interaction, in-situ observed meteorological data acquired from the China Meteorological Administration (CMA) were assimilated in the Weather Research and Forecasting (WRF) model and the monthly Green Vegetation Coverage (GVF) data, which was calculated using the Normalized Difference Vegetation Index (NDVI) of the Earth Observing System Moderate-Resolution Imaging Spectroradiometer (EOS-MODIS) and Digital Elevation Model (DEM) data of the Shuttle Radar Topography Mission (SRTM) system. Furthermore, the WRF model produced a High-Resolution Assimilation Dataset of the water-energy cycle in China (HRADC). This dataset has a horizontal resolution of 25 km for near surface meteorological data, such as air temperature, humidity, wind vectors and pressure (19 levels); soil temperature and moisture (four levels); surface temperature; downward/upward short/long radiation; 3-h latent heat flux; sensible heat flux; and ground heat flux. In this study, we 1) briefly introduce the cycling 3D-Var assimilation method and 2) compare results of meteorological elements, such as 2 m temperature and precipitation generated by the HRADC with the gridded observation data from CMA, and surface temperature and specific humidity with Global Land Data Assimilation System (GLDAS) output data from the National Aeronautics and Space Administration (NASA). We find that the simulated results of monthly 2 m temperature from HRADC is improved compared with the control simulation and has effectively reproduced the observed patterns. The simulated special distribution of ground surface temperature and specific humidity from HRADC are much closer to GLDAS outputs. The spatial distribution of root mean square errors (RMSE) and bias of 2 m temperature between observations and HRADC is reduced compared with the bias between observations and the control run. The monthly spatial distribution of surface temperature and specific humidity from HRADC is consistent with the GLDAS outputs over China. This study could improve the land surface parameters by utilizing remote sensing data and could further improve atmospheric elements with a data assimilation system. This work provides an effective attempt at combining multi-source data with different spatial and temporal scales into numerical simulations, and the simulated results could be used in further research on the long-term climatic effects and characteristics of the water-energy cycle over China.

Investigations into the low temperature behavior of jet fuels: Visualization, modeling, and viscosity studies

NASA Astrophysics Data System (ADS)

Atkins, Daniel L.

Aircraft operation in arctic regions or at high altitudes exposes jet fuel to temperatures below freeze point temperature specifications. Fuel constituents may solidify and remain within tanks or block fuel system components. Military and scientific requirements have been met with costly, low freeze point specialty jet fuels. Commercial airline interest in polar routes and the use of high altitude unmanned aerial vehicles (UAVs) has spurred interest in the effects of low temperatures and low-temperature additives on jet fuel. The solidification of jet fuel due to freezing is not well understood and limited visualization of fuel freezing existed prior to the research presented in this dissertation. Consequently, computational fluid dynamics (CFD) modeling that simulates jet fuel freezing and model validation were incomplete prior to the present work. The ability to simulate jet fuel freezing is a necessary tool for fuel system designers. An additional impediment to the understanding and simulation of jet fuel freezing has been the absence of published low-temperature thermo-physical properties, including viscosity, which the present work addresses. The dissertation is subdivided into three major segments covering visualization, modeling and validation, and viscosity studies. In the first segment samples of jet fuel, JPTS, kerosene, Jet A and Jet A containing additives, were cooled below their freeze point temperatures in a rectangular, optical cell. Images and temperature data recorded during the solidification process provided information on crystal habit, crystallization behavior, and the influence of the buoyancy-driven flow on freezing. N-alkane composition of the samples was determined. The Jet A sample contained the least n-alkane mass. The cooling of JPTS resulted in the least wax formation while the cooling of kerosene yielded the greatest wax formation. The JPTS and kerosene samples exhibited similar crystallization behavior and crystal habits during cooling. Low-temperature additives modified the crystal habit of the Jet A fuel. Crystal shapes and sizes were recorded for use in future computational modeling. In the second segment, a computational fluid dynamics model was developed that simulates the solidification of jet fuel due to freezing in a buoyancy-driven flow. Flow resistance caused by porous crystal structures that exist in liquid-solid regions is simulated through the use of a momentum resistance source term. (Abstract shortened by UMI.)

On-the-fly Doppler broadening of unresolved resonance region cross sections

DOE PAGES

Walsh, Jonathan A.; Forget, Benoit; Smith, Kord S.; ...

2017-07-29

In this paper, two methods for computing temperature-dependent unresolved resonance region cross sections on-the-fly within continuous-energy Monte Carlo neutron transport simulations are presented. The first method calculates Doppler broadened cross sections directly from zero-temperature average resonance parameters. In a simulation, at each event that requires cross section values, a realization of unresolved resonance parameters is generated about the desired energy and temperature-dependent single-level Breit-Wigner resonance cross sections are computed directly via the analytical Ψ-x Doppler integrals. The second method relies on the generation of equiprobable cross section magnitude bands on an energy-temperature mesh. Within a simulation, the bands are sampledmore » and interpolated in energy and temperature to obtain cross section values on-the-fly. Both of the methods, as well as their underlying calculation procedures, are verified numerically in extensive code-to-code comparisons. Energy-dependent pointwise cross sections calculated with the newly-implemented procedures are shown to be in excellent agreement with those calculated by a widely-used nuclear data processing code. Relative differences at or below 0.1% are observed. Integral criticality benchmark results computed with the proposed methods are shown to reproduce those computed with a state-of-the-art processed nuclear data library very well. In simulations of fast spectrum systems which are highly-sensitive to the representation of cross section data in the unresolved region, k-eigenvalue and neutron flux spectra differences of <10 pcm and <1.0% are observed, respectively. The direct method is demonstrated to be well-suited to the calculation of reference solutions — against which results obtained with a discretized representation may be assessed — as a result of its treatment of the energy, temperature, and cross section magnitude variables as continuous. Also, because there is no pre-processed data to store (only temperature-independent average resonance parameters) the direct method is very memory-efficient. Typically, only a few kB of memory are needed to store all required unresolved region data for a single nuclide. However, depending on the details of a particular simulation, performing URR cross section calculations on-the-fly can significantly increase simulation times. Alternatively, the method of interpolating equiprobable probability bands is demonstrated to produce results that are as accurate as the direct reference solutions, to within arbitrary precision, with high computational efficiency in terms of memory requirements and simulation time. Analyses of a fast spectrum system show that interpolation on a coarse energy-temperature mesh can be used to reproduce reference k-eigenvalue results obtained with cross sections calculated continuously in energy and directly at an exact temperature to within <10 pcm. Probability band data on a mesh encompassing the range of temperatures relevant to reactor analysis usually require around 100 kB of memory per nuclide. Finally, relative to the case in which probability table data generated at a single, desired temperature are used, minor increases in simulation times are observed when probability band interpolation is employed.« less

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.

Computer simulation to predict energy use, greenhouse gas emissions and costs for production of fluid milk using alternative processing methods

USDA-ARS?s Scientific Manuscript database

Computer simulation is a useful tool for benchmarking the electrical and fuel energy consumption and water use in a fluid milk plant. In this study, a computer simulation model of the fluid milk process based on high temperature short time (HTST) pasteurization was extended to include models for pr...

Non-Gaussian statistics and nanosecond dynamics of electrostatic fluctuations affecting optical transitions in proteins.

PubMed

Martin, Daniel R; Matyushov, Dmitry V

2012-08-30

We show that electrostatic fluctuations of the protein-water interface are globally non-Gaussian. The electrostatic component of the optical transition energy (energy gap) in a hydrated green fluorescent protein is studied here by classical molecular dynamics simulations. The distribution of the energy gap displays a high excess in the breadth of electrostatic fluctuations over the prediction of the Gaussian statistics. The energy gap dynamics include a nanosecond component. When simulations are repeated with frozen protein motions, the statistics shifts to the expectations of linear response and the slow dynamics disappear. We therefore suggest that both the non-Gaussian statistics and the nanosecond dynamics originate largely from global, low-frequency motions of the protein coupled to the interfacial water. The non-Gaussian statistics can be experimentally verified from the temperature dependence of the first two spectral moments measured at constant-volume conditions. Simulations at different temperatures are consistent with other indicators of the non-Gaussian statistics. In particular, the high-temperature part of the energy gap variance (second spectral moment) scales linearly with temperature and extrapolates to zero at a temperature characteristic of the protein glass transition. This result, violating the classical limit of the fluctuation-dissipation theorem, leads to a non-Boltzmann statistics of the energy gap and corresponding non-Arrhenius kinetics of radiationless electronic transitions, empirically described by the Vogel-Fulcher-Tammann law.

Parameter Calibration of GTN Damage Model and Formability Analysis of 22MnB5 in Hot Forming Process

NASA Astrophysics Data System (ADS)

Ying, Liang; Liu, Wenquan; Wang, Dantong; Hu, Ping

2017-11-01

Hot forming of high strength steel at elevated temperatures is an attractive technology to achieve the lightweight of vehicle body. The mechanical behavior of boron steel 22MnB5 strongly depends on the variation of temperature which makes the process design more difficult. In this paper, the Gurson-Tvergaard-Needleman (GTN) model is used to study the formability of 22MnB5 sheet at different temperatures. Firstly, the rheological behavior of 22MnB5 is analyzed through a series of hot tensile tests at a temperature range of 600-800 °C. Then, a detailed process to calibrate the damage parameters is given based on the response surface methodology and genetic algorithm method. The GTN model together with the damage parameters calibrated is then implemented to simulate the deformation and damage evolution of 22MnB5 in the process of high-temperature Nakazima test. The capability of the GTN model as a suitable tool to evaluate the sheet formability is confirmed by comparing experimental and calculated results. Finally, as a practical application, the forming limit diagram of 22MnB5 at 700 °C is constructed using the Nakazima simulation and Marciniak-Kuczynski (M-K) model, respectively. And the simulation integrated GTN model shows a higher reliability by comparing the predicted results of these two approaches with the experimental ones.

Interactions of CO2, temperature and management practices: simulations with a modified version of CERES-Wheat

NASA Technical Reports Server (NTRS)

Tubiello, F. N.; Rosenzweig, C.; Volk, T.

1995-01-01

A new growth subroutine was developed for CERES-Wheat, a computer model of wheat (Triticum aestivum) growth and development. The new subroutine simulates canopy photosynthetic response to CO2 concentrations and light levels, and includes the effects of temperature on canopy light-use efficiency. Its performance was compared to the original CERES-Wheat V-2 10 in 30 different cases. Biomass and yield predictions of the two models were well correlated (correlation coefficient r > 0.95). As an application, summer growth of spring wheat was simulated at one site. Modeled crop responses to higher mean temperatures, different amounts of minimum and maximum warming, and doubled CO2 concentrations were compared to observations. The importance of irrigation and nitrogen fertilization in modulating the wheat crop climatic responses were also analyzed. Specifically, in agreement with observations, rainfed crops were found to be more sensitive to CO2 increases than irrigated ones. On the other hand, low nitrogen applications depressed the ability of the wheat crop to respond positively to CO2 increases. In general, the positive effects of high CO2 on grain yield were found to be almost completely counterbalanced by the negative effects of high temperatures. Depending on how temperature minima and maxima were increased, yield changes averaged across management practices ranged from -4% to 8%.

A Multiscale Model for the Quasi-Static Thermo-Plastic Behavior of Highly Cross-Linked Glassy Polymers

DOE PAGES

Vu-Bac, N.; Bessa, M. A.; Rabczuk, Timon; ...

2015-09-10

In this paper, we present experimentally validated molecular dynamics predictions of the quasi- static yield and post-yield behavior for a highly cross-linked epoxy polymer under gen- eral stress states and for different temperatures. In addition, a hierarchical multiscale model is presented where the nano-scale simulations obtained from molecular dynamics were homogenized to a continuum thermoplastic constitutive model for the epoxy that can be used to describe the macroscopic behavior of the material. Three major conclusions were achieved: (1) the yield surfaces generated from the nano-scale model for different temperatures agree well with the paraboloid yield crite- rion, supporting previous macroscopicmore » experimental observations; (2) rescaling of the entire yield surfaces to the quasi-static case is possible by considering Argon’s theoretical predictions for pure compression of the polymer at absolute zero temperature; (3) nano- scale simulations can be used for an experimentally-free calibration of macroscopic con- tinuum models, opening new avenues for the design of materials and structures through multi-scale simulations that provide structure-property-performance relationships.« less

Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

NASA Technical Reports Server (NTRS)

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

2012-01-01

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

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.

High-resolution spatial distribution of temperature over Berlin simulated by the mesoscale model METRAS and comparison with measured data

NASA Astrophysics Data System (ADS)

Sodoudi, Sahar; Schäfer, Kerstin; Grawe, David; Petrik, Ronny; Heinke Schlünzen, K.

2014-05-01

The world's population is projected to increase in the next decades especially in urban areas. Additionally, the living conditions are affected largely by the local urban climate. The urban climate is a complex local system which might change differently than the regional climate. Studying the spatial distribution of air temperature and urban heat island intensity is one of the major concerns in the climate change scenarios. Due to the expected higher frequency of heat waves in the future and the related heat stress, high resolution distribution of air temperature is an important key for urban planning and development. In this study the non-hydrostatic Mesoscale Transport and Fluid Model (METRAS) developed at the University of Hamburg is used to simulate the air temperature for the urban area of Berlin. The forcing data have been derived from the ECMWF reanalysis data. We have used three nested domains (resolution of 4 km, 1 km, 200 m) to simulate the temperature in Berlin. Evaluation of these mesoscale model results is challenging for urban areas, due to the sparse and heterogeneous distribution of meteorological stations and the heterogeneous land cover in urban areas. The Meteorological Institute of the Free University of Berlin organized six measurement campaigns in 2012. Measurements were taken at 31 different routes through Berlin using mobile measurement systems. In comparison with data from permanent weather stations the mobile measurements show a general overestimation of temperature and underestimation of relative humidity values. This may be the result of the different land cover types and places, where the mobile measurements and the stationary measurements were taken. The highly resolved (200 m) simulated air temperature from METRAS has been verified for three different selected summer days in 2012 with different pressure patterns over Berlin. For the model evaluation, the data from the measuring campaign and 34 permanent stations have been used. The results show that METRAS overestimated the cloud water and rain water content on the first two selected days. The air temperature on the first two days has been underestimated by the model due to the reduced incoming radiation, and the strength of the urban heat island has not been reproduced. The mean absolute error is higher during the day time and especially in the city center. The last selected day is a sunny day with light wind from the Northwest. On this day the diurnal temperature variation is well reproduced by the model, although METRAS predicts short showers for several small areas during the afternoon. The showers do not lead to a temperature decrease over the whole city. The mean absolute error is much smaller in comparison with the other days. The temperature peak and the urban heat island are well consistent with observations. The mean absolute error is smaller in the city center and larger over the green areas. The spatial distribution of simulated temperature is in a good agreement with the measurements.

Theory and Simulation of Self- and Mutual-Diffusion of Carrier Density and Temperature in Semiconductor Lasers

NASA Technical Reports Server (NTRS)

Li, Jian-Zhong; Cheung, Samson H.; Ning, C. Z.

2001-01-01

Carrier diffusion and thermal conduction play a fundamental role in the operation of high-power, broad-area semiconductor lasers. Restricted geometry, high pumping level and dynamic instability lead to inhomogeneous spatial distribution of plasma density, temperature, as well as light field, due to strong light-matter interaction. Thus, modeling and simulation of such optoelectronic devices rely on detailed descriptions of carrier dynamics and energy transport in the system. A self-consistent description of lasing and heating in large-aperture, inhomogeneous edge- or surface-emitting lasers (VCSELs) require coupled diffusion equations for carrier density and temperature. In this paper, we derive such equations from the Boltzmann transport equation for the carrier distributions. The derived self- and mutual-diffusion coefficients are in general nonlinear functions of carrier density and temperature including many-body interactions. We study the effects of many-body interactions on these coefficients, as well as the nonlinearity of these coefficients for large-area VCSELs. The effects of mutual diffusions on carrier and temperature distributions in gain-guided VCSELs will be also presented.

Effects of defects on thermal decomposition of HMX via ReaxFF molecular dynamics simulations.

PubMed

Zhou, Ting-Ting; Huang, Feng-Lei

2011-01-20

Effects of molecular vacancies on the decomposition mechanisms and reaction dynamics of condensed-phase β-HMX at various temperatures were studied using ReaxFF molecular dynamics simulations. Results show that three primary initial decomposition mechanisms, namely, N-NO(2) bond dissociation, HONO elimination, and concerted ring fission, exist at both high and lower temperatures. The contribution of the three mechanisms to the initial decomposition of HMX is influenced by molecular vacancies, and the effects vary with temperature. At high temperature (2500 K), molecular vacancies remarkably promote N-N bond cleavage and concerted ring breaking but hinder HONO formation. N-N bond dissociation and HONO elimination are two primary competing reaction mechanisms, and the former is dominant in the initial decomposition. Concerted ring breaking of condensed-phase HMX is not favored at high temperature. At lower temperature (1500 K), the most preferential initial decomposition pathway is N-N bond dissociation followed by the formation of NO(3) (O migration), although all three mechanisms are promoted by molecular vacancies. The promotion effect on concerted ring breaking is considerable at lower temperature. Products resulting from concerted ring breaking appear in the defective system but not in the perfect crystal. The mechanism of HONO elimination is less important at lower temperature. We also estimated the reaction rate constant and activation barriers of initial decomposition with different vacancy concentrations. Molecular vacancies accelerate the decomposition of condensed-phase HMX by increasing the reaction rate constant and reducing activation barriers.

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

Kraus, A.; Garner, P.; Hanan, N.

Thermal-hydraulic simulations have been performed using computational fluid dynamics (CFD) for the highly-enriched uranium (HEU) design of the IVG.1M reactor at the Institute of Atomic Energy (IAE) at the National Nuclear Center (NNC) in the Republic of Kazakhstan. Steady-state simulations were performed for both types of fuel assembly (FA), i.e. the FA in rows 1 & 2 and the FA in row 3, as well as for single pins in those FA (600 mm and 800 mm pins). Both single pin calculations and bundle sectors have been simulated for the most conservative operating conditions corresponding to the 10 MW outputmore » power, which corresponds to a pin unit cell Reynolds number of only about 7500. Simulations were performed using the commercial code STAR-CCM+ for the actual twisted pin geometry as well as a straight-pin approximation. Various Reynolds-Averaged Navier-Stokes (RANS) turbulence models gave different results, and so some validation runs with a higher-fidelity Large Eddy Simulation (LES) code were performed given the lack of experimental data. These singled out the Realizable Two-Layer k-ε as the most accurate turbulence model for estimating surface temperature. Single-pin results for the twisted case, based on the average flow rate per pin and peak pin power, were conservative for peak clad surface temperature compared to the bundle results. Also the straight-pin calculations were conservative as compared to the twisted pin simulations, as expected, but the single-pin straight case was not always conservative with regard to the straight-pin bundle. This was due to the straight-pin temperature distribution being strongly influenced by the pin orientation, particularly near the outer boundary. The straight-pin case also predicted the peak temperature to be in a different location than the twisted-pin case. This is a limitation of the straight-pin approach. The peak temperature pin was in a different location from the peak power pin in every case simulated, and occurred at an inner pin just before the enrichment change. The 600 mm case demonstrated a peak clad surface temperature of 370.4 K, while the 800 mm case had a temperature of 391.6 K. These temperatures are well below the necessary temperatures for boiling to occur at the rated pressure. Fuel temperatures are also well below the melting point. Future bundle work will include simulations of the proposed low-enriched uranium (LEU) design. Two transient scenarios were also investigated for the single-pin geometries. Both were “model” problems that were focused on pure thermal-hydraulic behavior, and as such were simple power changes that did not incorporate neutron kinetics modeling. The first scenario was a high-power, ramp increase, while the second scenario was a low-power, step increase. A cylindrical RELAP model was also constructed to investigate its accuracy as compared to the higher-fidelity CFD. Comparisons between the two codes showed good agreement for peak temperatures in the fuel and at the cladding surface for both cases. In the step transient, temperatures at four axial levels were also computed. These showed greater but reasonable discrepancy, with RELAP outputting higher temperatures. These results provide some evidence that RELAP can be used with confidence in modeling transients for IVG.« less

Method of constructing a microwave antenna

NASA Technical Reports Server (NTRS)

Ngo, Phong (Inventor); Arndt, G. Dickey (Inventor); Carl, James (Inventor)

2003-01-01

A method, simulation, and apparatus are provided that are highly suitable for treatment of benign prostatic hyperplasia (BPH). A catheter is disclosed that includes a small diameter disk loaded monopole antenna surrounded by fusion material having a high heat of fusion and a melting point preferably at or near body temperature. Microwaves from the antenna heat prostatic tissue to promote necrosing of the prostatic tissue that relieves the pressure of the prostatic tissue against the urethra as the body reabsorbs the necrosed or dead tissue. The fusion material keeps the urethra cool by means of the heat of fusion of the fusion material. This prevents damage to the urethra while the prostatic tissue is necrosed. A computer simulation is provided that can be used to predict the resulting temperature profile produced in the prostatic tissue. By changing the various control features of the catheter and method of applying microwave energy a temperature profile can be predicted and produced that is similar to the temperature profile desired for the particular patient.

Method of Constructing a Microwave Antenna

NASA Technical Reports Server (NTRS)

Arndt, G. Dickey (Inventor); Carl, James (Inventor); Ngo, Phong (Inventor)

2003-01-01

A method, simulation, and apparatus are provided that are highly suitable for treatment of benign prostatic hyperplasia (BPH). A catheter is disclosed that includes a small diameter disk loaded monopole antenna surrounded by fusion material having a high heat of fusion and a melting point preferably at or near body temperature. Microwaves from the antenna heat prostatic tissue to promote necrosing of the prostatic tissue that relieves the pressure of the prostatic tissue against the urethra as the body reabsorbs the necrosed or dead tissue. The fusion material keeps the urethra cool by means of the heat of fusion of the fusion material. This prevents damage to the urethra while the prostatic tissue is necrosed. A computer simulation is provided that can be used to predict the resulting temperature profile produced in the prostatic tissue. By changing the various control features of the catheter and method of applying microwave energy a temperature profile can be predicted and produced that is similar to the temperature profile desired for the particular patient.

Method for selective thermal ablation

NASA Technical Reports Server (NTRS)

Ngo, Phong (Inventor); Arndt, G. Dickey (Inventor); Raffoul, George W. (Inventor); Carl, James (Inventor)

2003-01-01

A method, simulation, and apparatus are provided that are highly suitable for treatment of benign prostatic hyperplasia (BPH). A catheter is disclosed that includes a small diameter disk loaded monopole antenna surrounded by fusion material having a high heat of fusion and a melting point preferably at or near body temperature. Microwaves from the antenna heat prostatic tissue to promote necrosing of the prostatic tissue that relieves the pressure of the prostatic tissue against the urethra as the body reabsorbs the necrosed or dead tissue. The fusion material keeps the urethra cool by means of the heat of fusion of the fusion material. This prevents damage to the urethra while the prostatic tissue is necrosed. A computer simulation is provided that can be used to predict the resulting temperature profile produced in the prostatic tissue. By changing the various control features of the catheter and method of applying microwave energy a temperature profile can be predicted and produced that is similar to the temperature profile desired for the particular patient.

Method for Selective Thermal Ablation

NASA Technical Reports Server (NTRS)

Arndt, G. Dickey (Inventor); Carl, James (Inventor); Ngo, Phong (Inventor); Raffoul, George W. (Inventor)

2003-01-01

A method, simulation, and apparatus are provided that are highly suitable for treatment of benign prostatic hyperplasia (BPH). A catheter is disclosed that includes a small diameter disk loaded monopole antenna surrounded by fusion material having a high heat of fusion and a melting point preferably at or near body temperature. Microwaves from the antenna heat prostatic tissue to promote necrosing of the prostatic tissue that relieves the pressure of the prostatic tissue against the urethra as the body reabsorbs the necrosed or dead tissue. The fusion material keeps the urethra cool by means of the heat of fusion of the fusion material. This prevents damage to the urethra while the prostatic tissue is necrosed. A computer simulation is provided that can be used to predict the resulting temperature profile produced in the prostatic tissue. By changing the various control features of the catheter and method of applying microwave energy a temperature profile can be predicted and produced that is similar to the temperature profile desired for the particular patient.

Irradiation of Frozen Solutions of Ferrous Sulphate as Dosimeter for Low Temperature Irradiations

NASA Astrophysics Data System (ADS)

Sánchez-Mejorada, G.; Frias, D.

2006-09-01

A theoretical model is presented for the evaluation of the energy transferred during the interaction of high energy radiation with icy bodies. Numerical simulations of the chemical reaction system reproduce the behavior of the icy systems (frozen solution of iron salts) after its interaction with the gamma radiation. Simulation experiments of extraterrestrial bodies are useful for space research, where low temperature dosimetry is necessary, especially in trips with humans or in the International Space Station (ISS) where humans are exposed to high radiation doses. The results showed that theoretical model applied for the irradiated system for different doses (from 10 to 2500Gy) and at different temperature (from 77 to 298 °K). The system under study was frozen solutions of iron salts and were analyzed (after Melting) by UV-spectroscopy. The systems were irradiates with gamma radiation. It is also shown that the response of the system is a function of the temperature and it was linear with as a function of dose.

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

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

Development and prototype testing of MgCl 2 /graphite foam latent heat thermal energy storage system

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

Singh, Dileep; Yu, Wenhua; Zhao, Weihuan

Composites of graphite foam infiltrated with a magnesium chloride phase-change material have been developed as high-temperature thermal energy storage media for concentrated solar power applications. This storage medium provides a high thermal energy storage density, a narrow operating temperature range, and excellent heat transfer characteristics. In this study, experimental investigations were conducted on laboratory-scale prototypes with magnesium chloride/graphite foam composite as the latent heat thermal energy storage system. Prototypes were designed and built to monitor the melt front movement during the charging/discharging tests. A test loop was built to ensure the charging/discharging of the prototypes at temperatures > 700 degreesmore » C. Repeated thermal cycling experiments were carried out on the fabricated prototypes, and the experimental temperature profiles were compared to the predicted results from numerical simulations using COMSOL Multiphysics software. Experimental results were found to be in good agreement with the simulations to validate the thermal models.« less

Transcatheter Microwave Antenna

NASA Technical Reports Server (NTRS)

Arndt, Dickey G. (Inventor); Carl, James R. (Inventor); Ngo, Phong (Inventor); Raffoul, George W. (Inventor)

2001-01-01

A method, simulation, and apparatus are provided that are highly suitable for treatment of benign prostatic hyperplasia (BPH). A catheter is disclosed that includes a small diameter disk loaded monopole antenna surrounded by fusion material having a high heat of fusion and a melting point preferably at or near body temperature. Microwaves from the antenna heat prostatic tissue to promote necrosing of the prostatic tissue that relieves the pressure of the prostatic tissue against the urethra as the body reabsorbs the necrosed or dead tissue. The fusion material keeps the urethra cool by means of the heat of fusion of the fusion material. This prevents damage to the urethra while the prostatic tissue is necrosed. A computer simulation is provided that can be used to predict the resulting temperature profile produced in the prostatic tissue. By changing the various control features of the catheter and method of applying microwave energy a temperature profile can be predicted and produced that is similar to the temperature profile desired for the particular patient.

Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal γ-TiAl Based on Molecular Dynamics Simulation

NASA Astrophysics Data System (ADS)

Ruicheng, Feng; Hui, Cao; Haiyan, Li; Zhiyuan, Rui; Changfeng, Yan

2018-01-01

Molecular dynamics simulation is used to analyze tensile strength and elastic modulus under different temperatures and vacancy concentrations. The effects of temperature and vacancy concentration on the mechanical properties of γ-TiAl alloy are investigated. The results show that the ultimate stress, ultimate strain and elastic modulus decrease nonlinearly with increasing temperature and vacancy concentration. As the temperature increases, the plastic of material is reinforced. The influence of temperature on strength and elastic modulus is larger than that of vacancy concentration. The evolution process of vacancy could be observed clearly. Furthermore, vacancies with different concentrations develop into voids first as a function of external forces or other factors, micro cracks evolve from those voids, those micro cracks then converge to a macro crack, and fracture will finally occur. The vacancy evolution process cannot be observed clearly owing to the thermal motion of atoms at high temperature. In addition, potential energy is affected by both temperature and vacancy concentration.

Application of fire and evacuation models in evaluation of fire safety in railway tunnels

NASA Astrophysics Data System (ADS)

Cábová, Kamila; Apeltauer, Tomáš; Okřinová, Petra; Wald, František

2017-09-01

The paper describes an application of numerical simulation of fire dynamics and evacuation of people in a tunnel. The software tool Fire Dynamics Simulator is used to simulate temperature resolution and development of smoke in a railway tunnel. Comparing to temperature curves which are usually used in the design stage results of the model show that the numerical model gives lower temperature of hot smoke layer. Outputs of the numerical simulation of fire also enable to improve models of evacuation of people during fires in tunnels. In the presented study the calculated high of smoke layer in the tunnel is in 10 min after the fire ignition lower than the level of 2.2 m which is considered as the maximal limit for safe evacuation. Simulation of the evacuation process in bigger scale together with fire dynamics can provide very valuable information about important security conditions like Available Safe Evacuation Time (ASET) vs Required Safe Evacuation Time (RSET). On given example in software EXODUS the paper summarizes selected results of evacuation model which should be in mind of a designer when preparing an evacuation plan.

Comparison of the migration of melamine from melamine-formaldehyde plastics ('melaware') into various food simulants and foods themselves.

PubMed

Bradley, E L; Castle, L; Day, J S; Ebner, I; Ehlert, K; Helling, R; Koster, S; Leak, J; Pfaff, K

2010-12-01

A variety of melaware articles were tested for the migration of melamine into the food simulant 3% w/v acetic acid as a benchmark, and into other food simulants, beverages and foods for comparison. The results indicate that the acidity of the food simulant plays a role in promoting migration, but not by as much as might have been anticipated, since 3% acetic acid gave migration values about double those obtained using water under the same time and temperature test conditions. In contrast, migration into the fatty food simulant olive oil was not detectable and at least 20-fold lower than with the aqueous food simulants. This was expected given the solubility properties of melamine and the characteristics of the melaware plastic. Migration levels into hot acidic beverages (apple juice, tomato juice, red-fruit tea and black coffee) were rather similar to the acetic acid simulant when the same time and temperature test conditions are used, e.g. 2 h at 70°C. However, migration levels into foods that were placed hot into melaware articles and then allowed to cool on standing were much lower (6-14 times lower) than if pre-heated food was placed into the articles and then maintained (artificially) at that high temperature in the same way that a controlled time-temperature test using simulants would be conducted. This very strong influence of time and especially temperature was manifest in the effects seen of microwave heating of food or beverage in the melaware articles. Here, despite the short duration of hot contact, migration levels were similar to simulants used for longer periods, e.g. 70°C for 2 h. This is rationalized in terms of the peak temperature achieved on microwave heating, which may exceed 70°C, counterbalancing the shorter time period held hot. There was also evidence that when using melaware utensils in boiling liquids, as for stovetop use of spatulas, the boiling action of circulating food/simulant can have an additional effect in promoting surface erosion, increasing the plastic decomposition and so elevating the melamine release.

Study of the coupling between real gas effects and rarefied effects on hypersonic aerodynamics

NASA Astrophysics Data System (ADS)

Chen, Song; Hu, Yuan; Sun, Quanhua

2012-11-01

Hypersonic vehicles travel across the atmosphere at very high speed, and the surrounding gas experiences complicated physical and chemical processes. These processes produce real gas effects at high temperature and rarefied gas effects at high altitude where the two effects are coupled through molecular collisions. In this study, we aim to identify the individual real gas and rarefied gas effects by simulating hypersonic flow over a 2D cylinder, a sphere and a blunted cone using a continuum-based CFD approach and the direct simulation Monte Carlo method. It is found that physical processes such as vibrational excitation and chemical reaction will reduce significantly the shock stand-off distance and flow temperature for flows having small Knudsen number. The calculated skin friction and surface heat flux will decrease when the real gas effects are considered in simulations. The trend, however, gets weakened as the Knudsen number increases. It is concluded that the rarefied gas effects weaken the real gas effects on hypersonic flows.

Role of the Soil Thermal Inertia in the short term variability of the surface temperature and consequences for the soil-moisture temperature feedback

NASA Astrophysics Data System (ADS)

Cheruy, Frederique; Dufresne, Jean-Louis; Ait Mesbah, Sonia; Grandpeix, Jean-Yves; Wang, Fuxing

2017-04-01

A simple model based on the surface energy budget at equilibrium is developed to compute the sensitivity of the climatological mean daily temperature and diurnal amplitude to the soil thermal inertia. It gives a conceptual framework to quantity the role of the atmospheric and land surface processes in the surface temperature variability and relies on the diurnal amplitude of the net surface radiation, the sensitivity of the turbulent fluxes to the surface temperature and the thermal inertia. The performances of the model are first evaluated with 3D numerical simulations performed with the atmospheric (LMDZ) and land surface (ORCHIDEE) modules of the Institut Pierre Simon Laplace (IPSL) climate model. A nudging approach is adopted, it prevents from using time-consuming long-term simulations required to account for the natural variability of the climate and allow to draw conclusion based on short-term (several years) simulations. In the moist regions the diurnal amplitude and the mean surface temperature are controlled by the latent heat flux. In the dry areas, the relevant role of the stability of the boundary layer and of the soil thermal inertia is demonstrated. In these regions, the sensitivity of the surface temperature to the thermal inertia is high, due to the high contribution of the thermal flux to the energy budget. At high latitudes, when the sensitivity of turbulent fluxes is dominated by the day-time sensitivity of the sensible heat flux to the surface temperature and when this later is comparable to the thermal inertia term of the sensitivity equation, the surface temperature is also partially controlled by the thermal inertia which can rely on the snow properties; In the regions where the latent heat flux exhibits a high day-to-day variability, such as transition regions, the thermal inertia has also significant impact on the surface temperature variability . In these not too wet (energy limited) and not too dry (moisture-limited) soil moisture (SM) ''hot spots'', it is generally admitted that the variability of the surface temperature is explained by the soil moisture trough its control on the evaporation. This work suggests that the impact of the soil moisture on the temperature through its impact on the thermal inertia can be as important as its direct impact on the evaporation. Contrarily to the evaporation related soil-moisture temperature negative feedback, the thermal inertia soil-moisture related feedback newly identified by this work is a positive feedback which limits the cooling when the soil moisture increases. These results suggest that uncertainties in the representation of the soil and snow thermal properties can be responsible of significant biases in numerical simulations and emphasize the need to carefully document and evaluate these quantities in the Land Surface Modules implemented in the climate models.

The procedure for determining the residual life of high-temperature aggregates

NASA Astrophysics Data System (ADS)

Nikiforov, A. S.; Prihodko, E. V.; Kinzhibekova, A. K.; Karmanov, A. E.

2018-01-01

One of the main reasons for the withdrawal of high-temperature aggregates for repairs is the destruction of enclosing structures due to the occurrence of temperature stresses. A wide range of refractory materials used, a large number of product names, a difference in the operation of even the same aggregates makes it impossible to apply general principles for determining the residual resource of high-temperature aggregates, which is based, as a rule, on the determination of temperature stresses. In the article there is suggested a technique based on the method of simulation modeling, allowing to estimate the remaining resource and reliability of the operating equipment. There are given data on the calculation of these indicators for a 25-ton steel-casting ladle. The values obtained make it possible to evaluate the rationality of the further operation of the high-temperature unit by the condition of reliability of the enclosing structures.

Investigation on combustion characteristics and NO formation of methane with swirling and non-swirling high temperature air

NASA Astrophysics Data System (ADS)

Li, Xing; Jia, Li

2014-10-01

Combustion characteristics of methane jet flames in an industrial burner working in high temperature combustion regime were investigated experimentally and numerically to clarify the effects of swirling high temperature air on combustion. Speziale-Sarkar-Gatski (SSG) Reynolds stress model, Eddy-Dissipation Model (EDM), Discrete Ordinates Method (DTM) combined with Weighted-Sum-of-Grey Gases Model (WSGG) were employed for the numerical simulation. Both Thermal-NO and Prompt-NO mechanism were considered to evaluate the NO formation. Temperature distribution, NO emissions by experiment and computation in swirling and non-swirling patterns show combustion characteristics of methane jet flames are totally different. Non-swirling high temperature air made high NO formation while significant NO prohibition were achieved by swirling high temperature air. Furthermore, velocity fields, dimensionless major species mole fraction distributions and Thermal-NO molar reaction rate profiles by computation interpret an inner exhaust gas recirculation formed in the combustion zone in swirling case.

GRCop-84: A High-Temperature Copper Alloy for High-Heat-Flux Applications

NASA Technical Reports Server (NTRS)

Ellis, David L.

2005-01-01

GRCop-84 (Cu-8 at.% Cr-4 at.% Nb) is a new high-temperature copper-based alloy. It possesses excellent high-temperature strength, creep resistance and low-cycle fatigue up to 700 C (1292 F) along with low thermal expansion and good conductivity. GRCop-84 can be processed and joined by a variety of methods such as extrusion, rolling, bending, stamping, brazing, friction stir welding, and electron beam welding. Considerable mechanical property data has been generated for as-produced material and following simulated braze cycles. The data shows that the alloy is extremely stable during thermal exposures. This paper reviews the major GRCop-84 mechanical and thermophysical properties and compares them to literature values for a variety of other high-temperature copper-based alloys.

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.

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.

Energy consumption analysis and simulation of waste heat recovery technology of ceramic rotary kiln

NASA Astrophysics Data System (ADS)

Chen, Zhiguang; Zhou, Yu; Qin, Chaokui; Zhang, Xuemei

2018-03-01

Ceramsite is widely used in the construction industry, insulation works and oil industry in China, and the manufacture equipment is mainly industrial kiln. In this paper, energy consumption analysis had been carried out through experimental test of a Ceramsite kiln in Henan province. Results showed that the discharge temperature of Ceramsite was about 1393K, and the waste heat accounted for 22.1% of the total energy consumption. A structure of cyclone preheater which recovered waste heat of the high temperature Ceramsite by blast cooling was designed. Then, using Fluent software, performance of the unit was simulated. The minimum temperature that Ceramsite could reach, heat dissipating capacity of Ceramsite, temperature at air outlet, wall temperature of the unit and pressure loss were analyzed. Performance of the designed unit under different inlet velocity was analyzed as well.

The incompressibility assumption in computational simulations of nasal airflow.

PubMed

Cal, Ismael R; Cercos-Pita, Jose Luis; Duque, Daniel

2017-06-01

Most of the computational works on nasal airflow up to date have assumed incompressibility, given the low Mach number of these flows. However, for high temperature gradients, the incompressibility assumption could lead to a loss of accuracy, due to the temperature dependence of air density and viscosity. In this article we aim to shed some light on the influence of this assumption in a model of calm breathing in an Asian nasal cavity, by solving the fluid flow equations in compressible and incompressible formulation for different ambient air temperatures using the OpenFOAM package. At low flow rates and warm climatological conditions, similar results were obtained from both approaches, showing that density variations need not be taken into account to obtain a good prediction of all flow features, at least for usual breathing conditions. This agrees with most of the simulations previously reported, at least as far as the incompressibility assumption is concerned. However, parameters like nasal resistance and wall shear stress distribution differ for air temperatures below [Formula: see text]C approximately. Therefore, density variations should be considered for simulations at such low temperatures.

Simulation studies of improved sounding systems

NASA Technical Reports Server (NTRS)

Yates, H.; Wark, D.; Aumann, H.; Evans, N.; Phillips, N.; Susskind, J.; Mcmillin, L.; Goldman, A.; Chahine, M.; Crone, L.

1989-01-01

Two instrument designs for indirect satellite sounding of the atmosphere in the infrared are represented by the High Resolution Infra-Red Sounder, Model 2 (HIRS-2) and by the Advanced Meteorological Temperature Sounder (AMTS). The relative capabilities of the two instruments were tested by simulating satellite measurements from a group of temperature soundings, allowing the two participants to retrieve the temperature profiles from the simulated data, and comparing the results with the original temperature profiles. Four data sets were produced from radiosondes data extrapolated to a suitable altitude, representing continents and oceans, between 30S and 30N. From the information available, temperature profiles were retrieved by two different methods, statistical regression and inversion of the radiative transfer equation. Results show the consequence of greater spectral purity, concomitant increase in the number of spectral intervals, and the better spatial resolution in partly clouded areas. At the same time, the limitation of the HIRS-2 without its companion instrument leads to some results which should be ignored in comparing the two instruments. A clear superiority of AMTS results is shown.

INNOVATIVE INSTRUMENTATION AND ANALYSIS OF THE TEMPERATURE MEASUREMENT FOR HIGH TEMPERATURE GASIFICATION

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

Seong W. Lee

2004-10-01

The systematic tests of the gasifier simulator on the clean thermocouple were completed in this reporting period. Within the systematic tests on the clean thermocouple, five (5) factors were considered as the experimental parameters including air flow rate, water flow rate, fine dust particle amount, ammonia addition and high/low frequency device (electric motor). The fractional factorial design method was used in the experiment design with sixteen (16) data sets of readings. Analysis of Variances (ANOVA) was applied to the results from systematic tests. The ANOVA results show that the un-balanced motor vibration frequency did not have the significant impact onmore » the temperature changes in the gasifier simulator. For the fine dust particles testing, the amount of fine dust particles has significant impact to the temperature measurements in the gasifier simulator. The effects of the air and water on the temperature measurements show the same results as reported in the previous report. The ammonia concentration was included as an experimental parameter for the reducing environment in this reporting period. The ammonia concentration does not seem to be a significant factor on the temperature changes. The linear regression analysis was applied to the temperature reading with five (5) factors. The accuracy of the linear regression is relatively low, which is less than 10% accuracy. Nonlinear regression was also conducted to the temperature reading with the same factors. Since the experiments were designed in two (2) levels, the nonlinear regression is not very effective with the dataset (16 readings). An extra central point test was conducted. With the data of the center point testing, the accuracy of the nonlinear regression is much better than the linear regression.« less

Middle Holocene thermal maximum in eastern Beringia

NASA Astrophysics Data System (ADS)

Kaufman, D. S.; Bartlein, P. J.

2015-12-01

A new systematic review of diverse Holocene paleoenvironmental records (Kaufman et al., Quat. Sci. Rev., in revision) has clarified the primary multi-centennial- to millennial-scale trends across eastern Beringia (Alaska, westernmost Canada and adjacent seas). Composite time series from midges, pollen, and biogeochemical indicators are compared with new summaries of mountain-glacier and lake-level fluctuations, terrestrial water-isotope records, sea-ice and sea-surface-temperature analyses, and peatland and thaw-lake initiation frequencies. The paleo observations are also compared with recently published simulations (Bartlein et al., Clim. Past Discuss., 2015) that used a regional climate model to simulate the effects of global and regional-scale forcings at 11 and 6 ka. During the early Holocene (11.5-8 ka), rather than a prominent thermal maximum as suggested previously, the newly compiled paleo evidence (mostly sensitive to summer conditions) indicates that temperatures were highly variable, at times both higher and lower than present, although the overall lowest average temperatures occurred during the earliest Holocene. During the middle Holocene (8-4 ka), glaciers retreated as the regional average temperature increased to a maximum between 7 and 5 ka, as reflected in most proxy types. The paleo evidence for low and variable temperatures during the early Holocene contrasts with more uniformly high temperatures during the middle Holocene and agrees with the climate simulations, which show that temperature in eastern Beringia was on average lower at 11 ka and higher at 6 ka than at present (pre-industrial). Low temperatures during the early Holocene can be attributed in part to the summer chilling caused by flooding the continental shelves, whereas the mid-Holocene thermal maximum was likely driven by the loss of the Laurentide ice sheet, rise in greenhouse gases, higher-than-present summer insolation, and expansion of forest over tundra.

High-Temperature Gas-Cooled Test Reactor Point Design

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

Sterbentz, James William; Bayless, Paul David; Nelson, Lee Orville

2016-04-01

A point design has been developed for a 200 MW high-temperature gas-cooled test reactor. The point design concept uses standard prismatic blocks and 15.5% enriched UCO fuel. Reactor physics and thermal-hydraulics simulations have been performed to characterize the capabilities of the design. In addition to the technical data, overviews are provided on the technological readiness level, licensing approach and costs.

Influence of Courtyard Ventilation on Thermal Performance of Office Building in Hot-Humid Climate: A Case Study

NASA Astrophysics Data System (ADS)

Abbaas, Esra'a. Sh.; Saif, Ala'eddin A.; Munaaim, MAC; Azree Othuman Mydin, Md.

2018-03-01

The influence of courtyard on the thermal performance of Development Department office building in University Malaysia Perlis (UniMAP, Pauh Putra campus) is investigated through simulation study for the effect of ventilation on indoor air temperature and relative humidity of the building. The study is carried out using EnergyPlus simulator interface within OpenStudio and SketchUp plug in software to measure both of air temperature and relative humidity hourly on 21 April 2017 as a design day. The results show that the ventilation through the windows facing the courtyard has sufficient effect on reducing the air temperature compared to the ventilation through external windows since natural ventilation is highly effective on driving the indoor warm air out to courtyard. In addition, the relative humidity is reduced due to ventilation since the courtyard has high ability to remove or dilute indoor airborne pollutants coming from indoor sources. This indicates that the presence of courtyard is highly influential on thermal performance of the building.

Simulating Large Area, High Intensity AM0 Illumination on Earth- Representative Testing at Elevated Temperatures for the BepiColombo and SolO Missions

NASA Astrophysics Data System (ADS)

Oberhuttinger, C.; Quabis, D.; Zimmermann, C. G.

2014-08-01

During both the BepiColombo and the Solar Orbiter (SolO) mission, severe environmental conditions with sun intensities up to 10.6 solar constants (SCs) resp. 12.8 SCs will be encountered. Therefore, a special cell design was developed which can withstand these environmental loads. To verify the solar cells under representative conditions, a set of specific tests is conducted. The key qualification test for these high intensity, high temperature (HIHT) missions is a combined test, which exposes a large number of cells simultaneously to the complete AM0 spectrum at the required irradiance and temperature. Such a test was set up in the VTC1.5 chamber located at ESTEC. This paper provides an overview of the challenges in designing a setup capable of achieving this HIHT simulation. The solutions that were developed will be presented. Also the performance of the setup will be illustrated by actual test results.

Direct calculation of liquid-vapor phase equilibria from transition matrix Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Errington, Jeffrey R.

2003-06-01

An approach for directly determining the liquid-vapor phase equilibrium of a model system at any temperature along the coexistence line is described. The method relies on transition matrix Monte Carlo ideas developed by Fitzgerald, Picard, and Silver [Europhys. Lett. 46, 282 (1999)]. During a Monte Carlo simulation attempted transitions between states along the Markov chain are monitored as opposed to tracking the number of times the chain visits a given state as is done in conventional simulations. Data collection is highly efficient and very precise results are obtained. The method is implemented in both the grand canonical and isothermal-isobaric ensemble. The main result from a simulation conducted at a given temperature is a density probability distribution for a range of densities that includes both liquid and vapor states. Vapor pressures and coexisting densities are calculated in a straightforward manner from the probability distribution. The approach is demonstrated with the Lennard-Jones fluid. Coexistence properties are directly calculated at temperatures spanning from the triple point to the critical point.

Full-size solar dynamic heat receiver thermal-vacuum tests

NASA Technical Reports Server (NTRS)

Sedgwick, L. M.; Kaufmann, K. J.; Mclallin, K. L.; Kerslake, Thomas W.

1991-01-01

The testing of a full-size, 120 kW, solar dynamic heat receiver utilizing high-temperature thermal energy storage is described. The purpose of the test program was to quantify receiver thermodynamic performance, operating temperatures, and thermal response to changes in environmental and power module interface boundary conditions. The heat receiver was tested in a vacuum chamber with liquid nitrogen cold shrouds and an aperture cold plate to partly simulate a low-Earth-orbit environment. The cavity of the receiver was heated by an infrared quartz lamp heater with 30 independently controllable zones to allow axially and circumferentially varied flux distributions. A closed-Brayton cycle engine simulator conditioned a helium-xenon gas mixture to specific interface conditions to simulate the various operational modes of the solar dynamic power module on the Space Station Freedom. Inlet gas temperature, pressure, and flow rate were independently varied. A total of 58 simulated orbital cycles, each 94 minutes in duration, was completed during the test conduct period.

Full-size solar dynamic heat receiver thermal-vacuum tests

NASA Technical Reports Server (NTRS)

Sedgwick, L. M.; Kaufmann, K. J.; Mclallin, K. L.; Kerslake, T. W.

1991-01-01

The testing of a full-size, 102 kW, solar dynamic heat receiver utilizing high-temperature thermal energy storage is described. The purpose of the test program was to quantify receiver thermodynamic performance, operating temperatures, and thermal response to changes in environmental and power module interface boundary conditions. The heat receiver was tested in a vacuum chamber with liquid nitrogen cold shrouds and an aperture cold plate to partly simulate a low-Earth-orbit environment. The cavity of the receiver was heated by an infrared quartz lamp heater with 30 independently controllable zones to allow axially and circumferentially varied flux distributions. A closed-Brayton cycle engine simulator conditioned a helium-xenon gas mixture to specific interface conditions to simulate the various operational modes of the solar dynamic power module on the Space Station Freedom. Inlet gas temperature, pressure, and flow rate were independently varied. A total of 58 simulated orbital cycles, each 94 minutes in duration, was completed during the test period.

Full-size solar dynamic heat receiver thermal-vacuum tests

NASA Astrophysics Data System (ADS)

Sedgwick, L. M.; Kaufmann, K. J.; McLallin, K. L.; Kerslake, T. W.

The testing of a full-size, 102 kW, solar dynamic heat receiver utilizing high-temperature thermal energy storage is described. The purpose of the test program was to quantify receiver thermodynamic performance, operating temperatures, and thermal response to changes in environmental and power module interface boundary conditions. The heat receiver was tested in a vacuum chamber with liquid nitrogen cold shrouds and an aperture cold plate to partly simulate a low-Earth-orbit environment. The cavity of the receiver was heated by an infrared quartz lamp heater with 30 independently controllable zones to allow axially and circumferentially varied flux distributions. A closed-Brayton cycle engine simulator conditioned a helium-xenon gas mixture to specific interface conditions to simulate the various operational modes of the solar dynamic power module on the Space Station Freedom. Inlet gas temperature, pressure, and flow rate were independently varied. A total of 58 simulated orbital cycles, each 94 minutes in duration, was completed during the test period.

Computer simulation to predict energy use, greenhouse gas emissions and costs for production of extended shelf-life (ESL) milk using microfiltration

USDA-ARS?s Scientific Manuscript database

Extended shelf-life (ESL) milk has a shelf life between that of high-temperature short-time (HTST) and ultrahigh temperature (UHT) pasteurized milk. ESL milk is usually pasteurized at temperatures exceeding 125 deg C which may give the milk a cooked taste. ESL milk produced using crossflow microfilt...

Circumplanetary disc or circumplanetary envelope?

NASA Astrophysics Data System (ADS)

Szulágyi, J.; Masset, F.; Lega, E.; Crida, A.; Morbidelli, A.; Guillot, T.

2016-08-01

We present three-dimensional simulations with nested meshes of the dynamics of the gas around a Jupiter mass planet with the JUPITER and FARGOCA codes. We implemented a radiative transfer module into the JUPITER code to account for realistic heating and cooling of the gas. We focus on the circumplanetary gas flow, determining its characteristics at very high resolution (80 per cent of Jupiter's diameter). In our nominal simulation where the temperature evolves freely by the radiative module and reaches 13000 K at the planet, a circumplanetary envelope was formed filling the entire Roche lobe. Because of our equation of state is simplified and probably overestimates the temperature, we also performed simulations with limited maximal temperatures in the planet region (1000, 1500, and 2000 K). In these fixed temperature cases circumplanetary discs (CPDs) were formed. This suggests that the capability to form a CPD is not simply linked to the mass of the planet and its ability to open a gap. Instead, the gas temperature at the planet's location, which depends on its accretion history, plays also fundamental role. The CPDs in the simulations are hot and cooling very slowly, they have very steep temperature and density profiles, and are strongly sub-Keplerian. Moreover, the CPDs are fed by a strong vertical influx, which shocks on the CPD surfaces creating a hot and luminous shock-front. In contrast, the pressure supported circumplanetary envelope is characterized by internal convection and almost stalled rotation.

Predicting the variation in Echinogammarus marinus at its southernmost limits under global warming scenarios: can the sex-ratio make a difference?

PubMed

Guerra, Alexandra; Leite, Nuno; Marques, João Carlos; Ford, Alex T; Martins, Irene

2014-01-01

Understanding the environmental parameters that constrain the distribution of a species at its latitudinal extremes is critical for predicting how ecosystems react to climate change. Our first aim was to predict the variation in the amphipod populations of Echinogammarus marinus from the southernmost limit of its distribution under global warming scenarios. Our second aim was to test whether sex-ratio fluctuations - a mechanism frequently displayed by amphipods - respond to the variations in populations under altered climate conditions. To achieve these aims, scenarios were run with a validated model of E. marinus populations. Simulations were divided into: phase I - simulation of the effect of climate change on amphipod populations, and phase II - simulation of the effect of climate change on populations with male and female proportions. In both phases, temperature (T), salinity (S) and temperature and salinity (T-S) were tested. Results showed that E. marinus populations are highly sensitive to increases in temperature (>2 °C), which has adverse effects on amphipod recruitment and growth. Results from the climate change scenarios coupled with the sex-ratio fluctuations depended largely on the degree of female bias within population. Temperature increase of 2 °C had less impact on female-biased populations, particularly when conjugated with increases in salinity. Male-biased populations were highly sensitive to any variation in temperature and/or salinity; these populations exhibited a long-term decline in density. Simulations in which temperature increased more than 4 °C led to a continuous decline in the E. marinus population. According to this work, E. marinus populations at their southernmost limit are vulnerable to global warming. We anticipate that in Europe, temperature increases of 2 °C will incite a withdrawal of the population of 5°N from the amphipod species located at southernmost geographical borders. This effect is discussed in relation to the distribution of E. marinus along the Atlantic coast. © 2013 Elsevier B.V. All rights reserved.

Stability of nanocrystalline Ni-based alloys: coupling Monte Carlo and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Waseda, O.; Goldenstein, H.; Silva, G. F. B. Lenz e.; Neiva, A.; Chantrenne, P.; Morthomas, J.; Perez, M.; Becquart, C. S.; Veiga, R. G. A.

2017-10-01

The thermal stability of nanocrystalline Ni due to small additions of Mo or W (up to 1 at%) was investigated in computer simulations by means of a combined Monte Carlo (MC)/molecular dynamics (MD) two-steps approach. In the first step, energy-biased on-lattice MC revealed segregation of the alloying elements to grain boundaries. However, the condition for the thermodynamic stability of these nanocrystalline Ni alloys (zero grain boundary energy) was not fulfilled. Subsequently, MD simulations were carried out for up to 0.5 μs at 1000 K. At this temperature, grain growth was hindered for minimum global concentrations of 0.5 at% W and 0.7 at% Mo, thus preserving most of the nanocrystalline structure. This is in clear contrast to a pure Ni model system, for which the transformation into a monocrystal was observed in MD simulations within 0.2 μs at the same temperature. These results suggest that grain boundary segregation of low-soluble alloying elements in low-alloyed systems can produce high-temperature metastable nanocrystalline materials. MD simulations carried out at 1200 K for 1 at% Mo/W showed significant grain boundary migration accompanied by some degree of solute diffusion, thus providing additional evidence that solute drag mostly contributed to the nanostructure stability observed at lower temperature.

Temperature-induced unfolding of epidermal growth factor (EGF): insight from molecular dynamics simulation

PubMed Central

Yan, Chunli; Pattani, Varun; Tunnell, James W.; Ren, Pengyu

2010-01-01

Thermal disruption of protein structure and function is a potentially powerful therapeutic vehicle. With the emerging nanoparticle-targeting and femtosecond laser technology, it is possible to deliver heating locally to specific molecules. It is therefore important to understand how fast a protein can unfold or lose its function at high temperatures, such as near the water boiling point. In this study, the thermal damage of EGF was investigated by combining the replica exchange (136 replicas) and conventional molecular dynamics simulations. The REMD simulation was employed to rigorously explore the free energy landscape of EGF unfolding. Interestingly, besides the native and unfolded states, we also observed a distinct molten globule (MG) state that retained substantial amount of native contacts. Based on the understanding that which the unfolding of EGF is a three-state process, we have examined the unfolding kinetics of EGF (N→ MG→h multiple 20-ns conventional MD simulations. The Arrhenius prefactors and activation energy barriers determined from the simulation are within the range of previously studied proteins. In contrast to the thermal damage of cells and tissues which take place on the time scale of seconds to hours at relatively low temperatures, the denaturation of proteins occur in nanoseconds when the temperature of heat bath approaches the boiling point. PMID:20466569

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.

Interannual Rainfall Variability in North-East Brazil: Observation and Model Simulation

NASA Astrophysics Data System (ADS)

Harzallah, A.; Rocha de Aragão, J. O.; Sadourny, R.

1996-08-01

The relationship between interannual variability of rainfall in north-east Brazil and tropical sea-surface temperature is studied using observations and model simulations. The simulated precipitation is the average of seven independent realizations performed using the Laboratoire de Météorologie Dynamique atmospheric general model forced by the 1970-1988 observed sea-surface temperature. The model reproduces very well the rainfall anomalies (correlation of 091 between observed and modelled anomalies). The study confirms that precipitation in north-east Brazil is highly correlated to the sea-surface temperature in the tropical Atlantic and Pacific oceans. Using the singular value decomposition method, we find that Nordeste rainfall is modulated by two independent oscillations, both governed by the Atlantic dipole, but one involving only the Pacific, the other one having a period of about 10 years. Correlations between precipitation in north-east Brazil during February-May and the sea-surface temperature 6 months earlier indicate that both modes are essential to estimate the quality of the rainy season.

Numerical Simulation of Thermal Performance of Glass-Fibre-Reinforced Polymer

NASA Astrophysics Data System (ADS)

Zhao, Yuchao; Jiang, Xu; Zhang, Qilin; Wang, Qi

2017-10-01

Glass-Fibre-Reinforced Polymer (GFRP), as a developing construction material, has a rapidly increasing application in civil engineering especially bridge engineering area these years, mainly used as decorating materials and reinforcing bars for now. Compared with traditional construction material, these kinds of composite material have obvious advantages such as high strength, low density, resistance to corrosion and ease of processing. There are different processing methods to form members, such as pultrusion and resin transfer moulding (RTM) methods, which process into desired shape directly through raw material; meanwhile, GFRP, as a polymer composite, possesses several particular physical and mechanical properties, and the thermal property is one of them. The matrix material, polymer, performs special after heated and endue these composite material a potential hot processing property, but also a poor fire resistance. This paper focuses on thermal performance of GFRP as panels and corresponding researches are conducted. First, dynamic thermomechanical analysis (DMA) experiment is conducted to obtain the glass transition temperature (Tg) of the object GFRP, and the curve of bending elastic modulus with temperature is calculated according to the experimental data. Then compute and estimate the values of other various thermal parameters through DMA experiment and other literatures, and conduct numerical simulation under two condition respectively: (1) the heat transfer process of GFRP panel in which the panel would be heated directly on the surface above Tg, and the hot processing under this temperature field; (2) physical and mechanical performance of GFRP panel under fire condition. Condition (1) is mainly used to guide the development of high temperature processing equipment, and condition (2) indicates that GFRP’s performance under fire is unsatisfactory, measures must be taken when being adopted. Since composite materials’ properties differ from each other and their high temperature parameters can’t be obtained through common methods, some parameters are estimated, the simulation is to guide the actual high temperature experiment, and the parameters will also be adjusted by then.

Assessment of the performance of CORDEX-SA experiments in simulating seasonal mean temperature over the Himalayan region for the present climate: Part I

NASA Astrophysics Data System (ADS)

Nengker, T.; Choudhary, A.; Dimri, A. P.

2018-04-01

The ability of an ensemble of five regional climate models (hereafter RCMs) under Coordinated Regional Climate Downscaling Experiments-South Asia (hereafter, CORDEX-SA) in simulating the key features of present day near surface mean air temperature (Tmean) climatology (1970-2005) over the Himalayan region is studied. The purpose of this paper is to understand the consistency in the performance of models across the ensemble, space and seasons. For this a number of statistical measures like trend, correlation, variance, probability distribution function etc. are applied to evaluate the performance of models against observation and simultaneously the underlying uncertainties between them for four different seasons. The most evident finding from the study is the presence of a large cold bias (-6 to -8 °C) which is systematically seen across all the models and across space and time over the Himalayan region. However, these RCMs with its fine resolution perform extremely well in capturing the spatial distribution of the temperature features as indicated by a consistently high spatial correlation (greater than 0.9) with the observation in all seasons. In spite of underestimation in simulated temperature and general intensification of cold bias with increasing elevation the models show a greater rate of warming than the observation throughout entire altitudinal stretch of study region. During winter, the simulated rate of warming gets even higher at high altitudes. Moreover, a seasonal response of model performance and its spatial variability to elevation is found.

Approximation of Engine Casing Temperature Constraints for Casing Mounted Electronics

NASA Technical Reports Server (NTRS)

Kratz, Jonathan L.; Culley, Dennis E.; Chapman, Jeffryes W.

2017-01-01

The performance of propulsion engine systems is sensitive to weight and volume considerations. This can severely constrain the configuration and complexity of the control system hardware. Distributed Engine Control technology is a response to these concerns by providing more flexibility in designing the control system, and by extension, more functionality leading to higher performing engine systems. Consequently, there can be a weight benefit to mounting modular electronic hardware on the engine core casing in a high temperature environment. This paper attempts to quantify the in-flight temperature constraints for engine casing mounted electronics. In addition, an attempt is made at studying heat soak back effects. The Commercial Modular Aero Propulsion System Simulation 40k (C-MAPSS40k) software is leveraged with real flight data as the inputs to the simulation. A two-dimensional (2-D) heat transfer model is integrated with the engine simulation to approximate the temperature along the length of the engine casing. This modification to the existing C-MAPSS40k software will provide tools and methodologies to develop a better understanding of the requirements for the embedded electronics hardware in future engine systems. Results of the simulations are presented and their implications on temperature constraints for engine casing mounted electronics is discussed.

Approximation of Engine Casing Temperature Constraints for Casing Mounted Electronics

NASA Technical Reports Server (NTRS)

Kratz, Jonathan; Culley, Dennis; Chapman, Jeffryes

2016-01-01

The performance of propulsion engine systems is sensitive to weight and volume considerations. This can severely constrain the configuration and complexity of the control system hardware. Distributed Engine Control technology is a response to these concerns by providing more flexibility in designing the control system, and by extension, more functionality leading to higher performing engine systems. Consequently, there can be a weight benefit to mounting modular electronic hardware on the engine core casing in a high temperature environment. This paper attempts to quantify the in-flight temperature constraints for engine casing mounted electronics. In addition, an attempt is made at studying heat soak back effects. The Commercial Modular Aero Propulsion System Simulation 40k (C-MAPSS40k) software is leveraged with real flight data as the inputs to the simulation. A two-dimensional (2-D) heat transfer model is integrated with the engine simulation to approximate the temperature along the length of the engine casing. This modification to the existing C-MAPSS40k software will provide tools and methodologies to develop a better understanding of the requirements for the embedded electronics hardware in future engine systems. Results of the simulations are presented and their implications on temperature constraints for engine casing mounted electronics is discussed.

Accurate Behavioral Simulator of All-Digital Time-Domain Smart Temperature Sensors by Using SIMULINK

PubMed Central

Chen, Chun-Chi; Chen, Chao-Lieh; Lin, You-Ting

2016-01-01

This study proposes a new behavioral simulator that uses SIMULINK for all-digital CMOS time-domain smart temperature sensors (TDSTSs) for performing rapid and accurate simulations. Inverter-based TDSTSs offer the benefits of low cost and simple structure for temperature-to-digital conversion and have been developed. Typically, electronic design automation tools, such as HSPICE, are used to simulate TDSTSs for performance evaluations. However, such tools require extremely long simulation time and complex procedures to analyze the results and generate figures. In this paper, we organize simple but accurate equations into a temperature-dependent model (TDM) by which the TDSTSs evaluate temperature behavior. Furthermore, temperature-sensing models of a single CMOS NOT gate were devised using HSPICE simulations. Using the TDM and these temperature-sensing models, a novel simulator in SIMULINK environment was developed to substantially accelerate the simulation and simplify the evaluation procedures. Experiments demonstrated that the simulation results of the proposed simulator have favorable agreement with those obtained from HSPICE simulations, showing that the proposed simulator functions successfully. This is the first behavioral simulator addressing the rapid simulation of TDSTSs. PMID:27509507

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.

Quantifying Uncertainty in Model Predictions for the Pliocene (Plio-QUMP): Initial results

USGS Publications Warehouse

Pope, J.O.; Collins, M.; Haywood, A.M.; Dowsett, H.J.; Hunter, S.J.; Lunt, D.J.; Pickering, S.J.; Pound, M.J.

2011-01-01

Examination of the mid-Pliocene Warm Period (mPWP; ~. 3.3 to 3.0. Ma BP) provides an excellent opportunity to test the ability of climate models to reproduce warm climate states, thereby assessing our confidence in model predictions. To do this it is necessary to relate the uncertainty in model simulations of mPWP climate to uncertainties in projections of future climate change. The uncertainties introduced by the model can be estimated through the use of a Perturbed Physics Ensemble (PPE). Developing on the UK Met Office Quantifying Uncertainty in Model Predictions (QUMP) Project, this paper presents the results from an initial investigation using the end members of a PPE in a fully coupled atmosphere-ocean model (HadCM3) running with appropriate mPWP boundary conditions. Prior work has shown that the unperturbed version of HadCM3 may underestimate mPWP sea surface temperatures at higher latitudes. Initial results indicate that neither the low sensitivity nor the high sensitivity simulations produce unequivocally improved mPWP climatology relative to the standard. Whilst the high sensitivity simulation was able to reconcile up to 6 ??C of the data/model mismatch in sea surface temperatures in the high latitudes of the Northern Hemisphere (relative to the standard simulation), it did not produce a better prediction of global vegetation than the standard simulation. Overall the low sensitivity simulation was degraded compared to the standard and high sensitivity simulations in all aspects of the data/model comparison. The results have shown that a PPE has the potential to explore weaknesses in mPWP modelling simulations which have been identified by geological proxies, but that a 'best fit' simulation will more likely come from a full ensemble in which simulations that contain the strengths of the two end member simulations shown here are combined. ?? 2011 Elsevier B.V.

Examination of Wildland Fire Spread at Small Scales Using Direct Numerical Simulations and High-Speed Laser Diagnostics

NASA Astrophysics Data System (ADS)

Wimer, N. T.; Mackoweicki, A. S.; Poludnenko, A. Y.; Hoffman, C.; Daily, J. W.; Rieker, G. B.; Hamlington, P.

2017-12-01

Results are presented from a joint computational and experimental research effort focused on understanding and characterizing wildland fire spread at small scales (roughly 1m-1mm) using direct numerical simulations (DNS) with chemical kinetics mechanisms that have been calibrated using data from high-speed laser diagnostics. The simulations are intended to directly resolve, with high physical accuracy, all small-scale fluid dynamic and chemical processes relevant to wildland fire spread. The high fidelity of the simulations is enabled by the calibration and validation of DNS sub-models using data from high-speed laser diagnostics. These diagnostics have the capability to measure temperature and chemical species concentrations, and are used here to characterize evaporation and pyrolysis processes in wildland fuels subjected to an external radiation source. The chemical kinetics code CHEMKIN-PRO is used to study and reduce complex reaction mechanisms for water removal, pyrolysis, and gas phase combustion during solid biomass burning. Simulations are then presented for a gaseous pool fire coupled with the resulting multi-step chemical reaction mechanisms, and the results are connected to the fundamental structure and spread of wildland fires. It is anticipated that the combined computational and experimental approach of this research effort will provide unprecedented access to information about chemical species, temperature, and turbulence during the entire pyrolysis, evaporation, ignition, and combustion process, thereby permitting more complete understanding of the physics that must be represented by coarse-scale numerical models of wildland fire spread.

Metal Carbon Eutectics to Extend the Use of the Fixed-Point Technique in Precision IR Thermometry

NASA Astrophysics Data System (ADS)

Battuello, M.; Girard, F.; Florio, M.

2008-06-01

The high-temperature extension of the fixed-point technique for primary calibration of precision infrared (IR) thermometers was investigated both through mathematical simulations and laboratory investigations. Simulations were performed with Co C (1,324°C) and Pd C (1, 492°C) eutectic fixed points, and a precision IR thermometer was calibrated from the In point (156.5985°C) up to the Co C point. Mathematical simulations suggested the possibility of directly deriving the transition temperature of the Co C and Pd C points by extrapolating the calibration derived from fixed-point measurements from In to the Cu point. Both temperatures, as a result of the low uncertainty associated with the In Cu calibration and the high number of fixed points involved in the calibration process, can be derived with an uncertainty of 0.11°C for Co C and 0.18°C for Pd C. A transition temperature of 1,324.3°C for Co C was determined from the experimental verification, a value higher than, but compatible with, the one proposed by the thermometry community for inclusion as a secondary reference point for ITS-90 dissemination, i.e., 1,324.0°C.

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.

Global simulation of edge pedestal micro-instabilities

NASA Astrophysics Data System (ADS)

Wan, Weigang; Parker, Scott; Chen, Yang

2011-10-01

We study micro turbulence of the tokamak edge pedestal with global gyrokinetic particle simulations. The simulation code GEM is an electromagnetic δf code. Two sets of DIII-D experimental profiles, shot #131997 and shot #136051 are used. The dominant instabilities appear to be two kinds of modes both propagating in the electron diamagnetic direction, with comparable linear growth rates. The low n mode is at the Alfven frequency range and driven by density and ion temperature gradients. The high n mode is driven by electron temperature gradient and has a low real frequency. A β scan shows that the low n mode is electromagnetic. Frequency analysis shows that the high n mode is sometimes mixed with an ion instability. Experimental radial electric field is applied and its effects studied. We will also show some preliminary nonlinear results. We thank R. Groebner, P. Snyder and Y. Zheng for providing experimental profiles and helpful discussions.

Modeling of subcooling and solidification of phase change materials

NASA Astrophysics Data System (ADS)

Günther, Eva; Mehling, Harald; Hiebler, Stefan

2007-12-01

Phase change materials (PCM) are able to store thermal energy in small temperature intervals very efficiently due to their high latent heat. Particularly high storage capacity is found in salt hydrates. Salt hydrates however often show subcooling, thus inhibiting the release of the stored heat. In the state of the art simulations of PCM, the effect of subcooling is almost always neglected. This is a practicable approach for small subcooling, but it is problematic for subcooling in the order of the driving temperature gradient on unloading the storage. In this paper, we first present a new algorithm to simulate subcooling in a physically proper way. Then, we present a parametric study to demonstrate the main features of the algorithm and a comparison of computed and experimentally obtained data. The new algorithm should be particularly useful in simulating applications with low cooling rates, for example building applications.

Salt weathering in Egyptian limestone after laboratory simulations with continuous flow of salt solutions at different temperatures

NASA Astrophysics Data System (ADS)

Aly, Nevin; Gomez-Heras, Miguel; Hamed, Ayman; Alvarez de Buergo, Monica

2013-04-01

weathering in Egyptian limestone after laboratory simulations with continuous flow of salt solutions at different temperatures Nevin Aly Mohamed (1), Miguel Gomez - Heras(2), Ayman Hamed Ahmed (1), and Monica Alvarez de Buergo(2). (1) Faculty of Pet. & Min. Engineering- Suez Canal University, Suez, Egypt, (2) Instituto de Geociencias (CSIC-UCM) Madrid. Spain. Limestone is one of the most frequent building stones in Egypt and is used since the time of ancient Egyptians and salt weathering is one of the main threats to its conservation. Most of the limestone used in historical monuments in Cairo is a biomicrite extracted from the Mid-Eocene Mokattam Group. During this work, cylindrical samples (2.4 cm diameter and approx. 4.8 cm length) were subjected, in a purpose-made simulation chamber, to simulated laboratory weathering tests with fixed salt concentration (10% weight NaCl solution), at different temperatures, which were kept constant throughout each test (10, 20, 30, 40 oC). During each test, salt solutions flowed continuously imbibing samples by capilarity. Humidity within the simulation chamber was reduced using silica gel to keep it low and constant to increase evaporation rate. Temperature, humidity inside the simulation chamber and samples weight were digitally monitored during each test. Results show the advantages of the proposed experimental methodology using a continuous flow of salt solutions and shed light on the effect of temperature on the dynamics of salt crystallization on and within samples. Research funded by mission sector of high education ministry, Egypt and Geomateriales S2009/MAT-1629.

Response to Extreme Temperatures of Mesoporous Silica MCM-41: Porous Structure Transformation Simulation and Modification of Gas Adsorption Properties.

PubMed

Zhang, Shenli; Perez-Page, Maria; Guan, Kelly; Yu, Erick; Tringe, Joseph; Castro, Ricardo H R; Faller, Roland; Stroeve, Pieter

2016-11-08

Molecular dynamics (MD) and Monte Carlo (MC) simulations were applied together for the first time to reveal the porous structure transformation mechanisms of mesoporous silica MCM-41 subjected to temperatures up to 2885 K. Silica was experimentally characterized to inform the models and enable prediction of changes in gas adsorption/separation properties. MD simulations suggest that the pore closure process is activated by a collective diffusion of matrix atoms into the porous region, accompanied by bond reformation at the surface. Degradation is kinetically limited, such that complete pore closure is postponed at high heating rates. We experimentally observe decreased gas adsorption with increasing temperature in mesoporous silica heated at fixed rates, due to pore closure and structural degradation consistent with simulation predictions. Applying the Kissinger equation, we find a strong correlation between the simulated pore collapse temperatures and the experimental values which implies an activation energy of 416 ± 17 kJ/mol for pore closure. MC simulations give the adsorption and selectivity for thermally treated MCM-41, for N 2 , Ar, Kr, and Xe at room temperature within the 1-10 000 kPa pressure range. Relative to pristine MCM-41, we observe that increased surface roughness due to decreasing pore size amplifies the difference of the absolute adsorption amount differently for different adsorbate molecules. In particular, we find that adsorption of strongly interacting molecules can be enhanced in the low-pressure region while adsorption of weakly interacting molecules is inhibited. This then results in higher selectivity in binary mixture adsorption in mesoporous silica.

Simulated Altitude Performance of Combustor of Westinghouse 19XB-1 Jet-Propulsion Engine

NASA Technical Reports Server (NTRS)

Childs, J. Howard; McCafferty, Richard J.

1948-01-01

A 19XB-1 combustor was operated under conditions simulating zero-ram operation of the 19XB-1 turbojet engine at various altitudes and engine speeds. The combustion efficiencies and the altitude operational limits were determined; data were also obtained on the character of the combustion, the pressure drop through the combustor, and the combustor-outlet temperature and velocity profiles. At altitudes about 10,000 feet below the operational limits, the flames were yellow and steady and the temperature rise through the combustor increased with fuel-air ratio throughout the range of fuel-air ratios investigated. At altitudes near the operational limits, the flames were blue and flickering and the combustor was sluggish in its response to changes in fuel flow. At these high altitudes, the temperature rise through the combustor increased very slowly as the fuel flow was increased and attained a maximum at a fuel-air ratio much leaner than the over-all stoichiometric; further increases in fuel flow resulted in decreased values of combustor temperature rise and increased resonance until a rich-limit blow-out occurred. The approximate operational ceiling of the engine as determined by the combustor, using AN-F-28, Amendment-3, fuel, was 30,400 feet at a simulated engine speed of 7500 rpm and increased as the engine speed was increased. At an engine speed of 16,000 rpm, the operational ceiling was approximately 48,000 feet. Throughout the range of simulated altitudes and engine speeds investigated, the combustion efficiency increased with increasing engine speed and with decreasing altitude. The combustion efficiency varied from over 99 percent at operating conditions simulating high engine speed and low altitude operation to less than 50 percent at conditions simulating operation at altitudes near the operational limits. The isothermal total pressure drop through the combustor was 1.82 times as great as the inlet dynamic pressure. As expected from theoretical considerations, a straight-line correlation was obtained when the ratio of the combustor total pressure drop to the combustor-inlet dynamic pressure was plotted as a function of the ratio of the combustor-inlet air density to the combustor-outlet gas density. The combustor-outlet temperature profiles were, in general, more uniform for runs in which the temperature rise was low and the combustion efficiency was high. Inspection of the combustor basket after 36 hours of operation showed very little deterioration and no appreciable carbon deposits.

Application of the SHARP Toolkit to Sodium-Cooled Fast Reactor Challenge Problems

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

Shemon, E. R.; Yu, Y.; Kim, T. K.

The Simulation-based High-efficiency Advanced Reactor Prototyping (SHARP) toolkit is under development by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Campaign of the U.S. Department of Energy, Office of Nuclear Energy. To better understand and exploit the benefits of advanced modeling simulations, the NEAMS Campaign initiated the “Sodium-Cooled Fast Reactor (SFR) Challenge Problems” task, which include the assessment of hot channel factors (HCFs) and the demonstration of zooming capability using the SHARP toolkit. If both challenge problems are resolved through advanced modeling and simulation using the SHARP toolkit, the economic competitiveness of a SFR can be significantly improved. The effortsmore » in the first year of this project focused on the development of computational models, meshes, and coupling procedures for multi-physics calculations using the neutronics (PROTEUS) and thermal-hydraulic (Nek5000) components of the SHARP toolkit, as well as demonstration of the HCF calculation capability for the 100 MWe Advanced Fast Reactor (AFR-100) design. Testing the feasibility of the SHARP zooming capability is planned in FY 2018. The HCFs developed for the earlier SFRs (FFTF, CRBR, and EBR-II) were reviewed, and a subset of these were identified as potential candidates for reduction or elimination through high-fidelity simulations. A one-way offline coupling method was used to evaluate the HCFs where the neutronics solver PROTEUS computes the power profile based on an assumed temperature, and the computational fluid dynamics solver Nek5000 evaluates the peak temperatures using the neutronics power profile. If the initial temperature profile used in the neutronics calculation is reasonably accurate, the one-way offline method is valid because the neutronics power profile has weak dependence on small temperature variation. In order to get more precise results, the proper temperature profile for initial neutronics calculations was obtained from the STAR-CCM+ calculations. The HCFs of the peak temperatures at cladding outer surface, cladding inner wall surface, and fuel centerline induced by cladding manufacturing tolerance and uncertainties on the cladding, coolant, and fuel properties were evaluated for the AFR-100. Some assessment on the effect of wire wrap configuration and size of the bundle shows that it is practical to use the 7-pin bare rod bundle to calculate the HCFs. The resulting HCFs obtained from the high-fidelity SHARP calculations are generally smaller than those developed for the earlier SFRs because the most uncertainties involved in the modeling and simulations were disappeared. For completeness, additional investigations are planned in FY 2018, which will use random sampling techniques.« less

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.

Improving 1D Stellar Models with 3D Atmospheres

NASA Astrophysics Data System (ADS)

Mosumgaard, Jakob Rørsted; Silva Aguirre, Víctor; Weiss, Achim; Christensen-Dalsgaard, Jørgen; Trampedach, Regner

2017-10-01

Stellar evolution codes play a major role in present-day astrophysics, yet they share common issues. In this work we seek to remedy some of those by the use of results from realistic and highly detailed 3D hydrodynamical simulations of stellar atmospheres. We have implemented a new temperature stratification extracted directly from the 3D simulations into the Garching Stellar Evolution Code to replace the simplified atmosphere normally used. Secondly, we have implemented the use of a variable mixing-length parameter, which changes as a function of the stellar surface gravity and temperature - also derived from the 3D simulations. Furthermore, to make our models consistent, we have calculated new opacity tables to match the atmospheric simulations. Here, we present the modified code and initial results on stellar evolution using it.

Summer U.S. Surface Air Temperature Variability: Controlling Factors and AMIP Simulation Biases

NASA Astrophysics Data System (ADS)

Merrifield, A.; Xie, S. P.

2016-02-01

This study documents and investigates biases in simulating summer surface air temperature (SAT) variability over the continental U.S. in the Coupled Model Intercomparison Project (CMIP5) Atmospheric Model Intercomparison Project (AMIP). Empirical orthogonal function (EOF) and multivariate regression analyses are used to assess the relative importance of circulation and the land surface feedback at setting summer SAT over a 30-year period (1979-2008). In observations, regions of high SAT variability are closely associated with midtropospheric highs and subsidence, consistent with adiabatic theory (Meehl and Tebaldi 2004, Lau and Nath 2012). Preliminary analysis shows the majority of the AMIP models feature high SAT variability over the central U.S., displaced south and/or west of observed centers of action (COAs). SAT COAs in models tend to be concomitant with regions of high sensible heat flux variability, suggesting an excessive land surface feedback in these models modulate U.S. summer SAT. Additionally, tropical sea surface temperatures (SSTs) play a role in forcing the leading EOF mode for summer SAT, in concert with internal atmospheric variability. There is evidence that models respond to different SST patterns than observed. Addressing issues with the bulk land surface feedback and the SST-forced component of atmospheric variability may be key to improving model skill in simulating summer SAT variability over the U.S.

A Low-Power Thermal-Based Sensor System for Low Air Flow Detection

PubMed Central

Arifuzzman, AKM; Haider, Mohammad Rafiqul; Allison, David B.

2016-01-01

Being able to rapidly detect a low air flow rate with high accuracy is essential for various applications in the automotive and biomedical industries. We have developed a thermal-based low air flow sensor with a low-power sensor readout for biomedical applications. The thermal-based air flow sensor comprises a heater and three pairs of temperature sensors that sense temperature differences due to laminar air flow. The thermal-based flow sensor was designed and simulated by using laminar flow, heat transfer in solids and fluids physics in COMSOL MultiPhysics software. The proposed sensor can detect air flow as low as 0.0064 m/sec. The readout circuit is based on a current- controlled ring oscillator in which the output frequency of the ring oscillator is proportional to the temperature differences of the sensors. The entire readout circuit was designed and simulated by using a 130-nm standard CMOS process. The sensor circuit features a small area and low-power consumption of about 22.6 µW with an 800 mV power supply. In the simulation, the output frequency of the ring oscillator and the change in thermistor resistance showed a high linearity with an R2 value of 0.9987. The low-power dissipation, high linearity and small dimensions of the proposed flow sensor and circuit make the system highly suitable for biomedical applications. PMID:28435186

Thermoelectric Oxide Modules (TOMs) for the Direct Conversion of Simulated Solar Radiation into Electrical Energy

PubMed Central

Tomeš, Petr; Trottmann, Matthias; Suter, Clemens; Aguirre, Myriam Heidi; Steinfeld, Aldo; Haueter, Philipp; Weidenkaff, Anke

2010-01-01

The direct conversion of concentrated high temperature solar heat into electrical energy was demonstrated with a series of four–leg thermoelectric oxide modules (TOM). These temperature stable modules were not yet optimized for high efficiency conversion, but served as proof-of-principle for high temperature conversion. They were constructed by connecting two p- (La1.98Sr0.02CuO4) and two n-type (CaMn0.98Nb0.02O3) thermoelements electrically in series and thermally in parallel. The temperature gradient ΔT was applied by a High–Flux Solar Simulator source (HFSS) which generates a spectrum similar to solar radiation. The influence of the graphite layer coated on the hot side of the Al2O3 substrate compared to the uncoated surface on ΔT, Pmax and η was studied in detail. The measurements show an almost linear temperature profile along the thermoelectric legs. The maximum output power of 88.8 mW was reached for a TOM with leg length of 5 mm at ΔT = 622 K. The highest conversion efficiency η was found for a heat flux of 4–8 W cm-2 and the dependence of η on the leg length was investigated.

The effect of nozzle diameter, injection pressure and ambient temperature on spray characteristics in diesel engine

NASA Astrophysics Data System (ADS)

Rhaodah Andsaler, Adiba; Khalid, Amir; Sharifhatul Adila Abdullah, Nor; Sapit, Azwan; Jaat, Norrizam

2017-04-01

Mixture formation of the ignition process is a key element in the diesel combustion as it influences the combustion process and exhaust emission. Aim of this study is to elucidate the effects of nozzle diameter, injection pressure and ambient temperature to the formation of spray. This study investigated diesel formation spray using Computational Fluid Dynamics. Multiphase volume of fluid (VOF) behaviour in the chamber are determined by means of transient simulation, Eulerian of two phases is used for implementation of mixing fuel and air. The detail behaviour of spray droplet diameter, spray penetration and spray breakup length was visualised using the ANSYS 16.1. This simulation was done in different nozzle diameter 0.12 mm and 0.2 mm performed at the ambient temperature 500 K and 700 K with different injection pressure 40 MPa, 70 MPa and 140 MPa. Results show that high pressure influence droplet diameter become smaller and the penetration length longer with the high injection pressure apply. Smaller nozzle diameter gives a shorter length of the breakup. It is necessary for nozzle diameter and ambient temperature condition to improve the formation of spray. High injection pressure is most effective in improvement of formation spray under higher ambient temperature and smaller nozzle diameter.

An experimental summary of plasma arc exposures of space shuttle high-temperature reusable surface insulation tile array with a single missing tile (conducted at the Ames Research Center)

NASA Technical Reports Server (NTRS)

Galanter, S. A.

1975-01-01

A space shuttle high temperature reusable surface insulation (HRSI) tile array with a single missing or lost tile was exposed to a hot gas simulated reentry environment to investigate the heating conditions in and around the vicinity of the missing HRSI tile. Heat flux and pressure data for the lost tile condition were obtained by the use of a water cooled lost tile calibration model. The maximum aluminum substrate temperature obtained during the simulated reentry was 128 C (263 F). The lost tile calibration data indicated a maximum heat flux in the lost tile cavity region of 63 percent of the upstream reference value. This test was conducted at the Ames Research Center in the 20 MW semielliptical thermal protection system (TPS) pilot plasma arc test facility.

Hot dynamic test rig for measuring hypersonic engine seal flow and durability

NASA Technical Reports Server (NTRS)

Miller, Jeffrey H.; Steinetz, Bruce M.; Sirocky, Paul J.; Kren, Lawrence A.

1994-01-01

A test fixture for measuring the dynamic performance of candidate high-temperature engine seal concepts was developed. The test fixture was developed to evaluate seal concepts under development for advanced hypersonic engines, such as those being considered for the National Aerospace Plane (NASP). The fixture can measure dynamic seal leakage performance from room temperature up to 840 C and air pressure differentials of to 0.7 MPa. Performance of the seals can be measured while sealing against flat or engine-simulated distorted walls. In the fixture, two seals are preloaded against the sides of a 0.3 m long saber that slides transverse to the axis of the seals, simulating the scrubbing motion anticipated in these engines. The capabilities of this text fixture along with preliminary data showing the dependence of seal leakage performance on high temperature cycling are covered.

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

NASA Astrophysics Data System (ADS)

Bonek, Mirosław; Śliwa, Agata; Mikuła, Jarosław

2016-12-01

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

Effect of excimer laser annealing on a-InGaZnO thin-film transistors passivated by solution-processed hybrid passivation layers

NASA Astrophysics Data System (ADS)

Bermundo, Juan Paolo; Ishikawa, Yasuaki; Fujii, Mami N.; Nonaka, Toshiaki; Ishihara, Ryoichi; Ikenoue, Hiroshi; Uraoka, Yukiharu

2016-01-01

We demonstrate the use of excimer laser annealing (ELA) as a low temperature annealing alternative to anneal amorphous InGaZnO (a-IGZO) thin-film transistors (TFTs) passivated by a solution-processed hybrid passivation layer. Usually, a-IGZO is annealed using thermal annealing at high temperatures of up to 400 °C. As an alternative to high temperature thermal annealing, two types of ELA, XeCl (308 nm) and KrF (248 nm) ELA, are introduced. Both ELA types enhanced the electrical characteristics of a-IGZO TFTs leading to a mobility improvement of ~13 cm2 V-1 s-1 and small threshold voltage which varied from ~0-3 V. Furthermore, two-dimensional heat simulation using COMSOL Multiphysics was used to identify possible degradation sites, analyse laser heat localization, and confirm that the substrate temperature is below 50 °C. The two-dimensional heat simulation showed that the substrate temperature remained at very low temperatures, less than 30 °C, during ELA. This implies that any flexible material can be used as the substrate. These results demonstrate the large potential of ELA as a low temperature annealing alternative for already-passivated a-IGZO TFTs.

Thermodynamic Simulation of Viscosity of TiO2-Ti2O3-CaO Ternary Slag

NASA Astrophysics Data System (ADS)

Zhang, P.; Ma, W. H.; Zhang, S. J.; Lei, Y.; Wen, J. H.

2017-12-01

The viscosity of high titanium slag at high temperature is one of the key factors of slag-iron separation. Based on the Einstein-Roscoe equation, thermodynamic simulation of viscosity of TiO2-Ti2O3-CaO ternary slag is studied by using FactSage® software, and the effects of temperature, CaO content and solid-phase particles on the viscosity of slag were studied. The results show that the increase of CaO content has the effect of reducing melting temperature and viscosity of TiO2-Ti2O3-CaO ternary slag. After the TiO2-Ti2O3-CaO ternary slag is completely melted, the increase of temperature has little effect on viscosity of slag, and the viscosity is about 110~125mPa·s. When the temperature is lower than melting temperature, TiO2-Ti2O3-CaO ternary slag will precipitate solid-phase particles, and the precipitation process is carried out in stages, and with the decrease of temperature, the precipitation will increase and the viscosity will sharply increase. TiO2-Ti2O3-CaO ternary titanium slag has obvious characteristics of short slag.

High Capacity Garnet-Based All-Solid-State Lithium Batteries: Fabrication and 3D-Microstructure Resolved Modeling.

PubMed

Finsterbusch, Martin; Danner, Timo; Tsai, Chih-Long; Uhlenbruck, Sven; Latz, Arnulf; Guillon, Olivier

2018-06-21

The development of high-capacity, high-performance all-solid-state batteries requires the specific design and optimization of its components, especially on the positive electrode side. For the first time, we were able to produce a completely inorganic mixed positive electrode consisting only of LiCoO 2 and Ta-substituted Li 7 La 3 Zr 2 O 12 (LLZ:Ta) without the use of additional sintering aids or conducting additives, which has a high theoretical capacity density of 1 mAh/cm 2 . A true all-solid-state cell composed of a Li metal negative electrode, a LLZ:Ta garnet electrolyte, and a 25 μm thick LLZ:Ta + LiCoO 2 mixed positive electrode was manufactured and characterized. The cell shows 81% utilization of theoretical capacity upon discharging at elevated temperatures and rather high discharge rates of 0.1 mA (0.1 C). However, even though the room temperature performance is also among the highest reported so far for similar cells, it still falls far short of the theoretical values. Therefore, a 3D reconstruction of the manufactured mixed positive electrode was used for the first time as input for microstructure-resolved continuum simulations. The simulations are able to reproduce the electrochemical behavior at elevated temperature favorably, however fail completely to predict the performance loss at room temperature. Extensive parameter studies were performed to identify the limiting processes, and as a result, interface phenomena occurring at the cathode active material/solid-electrolyte interface were found to be the most probable cause for the low performance at room temperature. Furthermore, the simulations are used for a sound estimation of the optimization potential that can be realized with this type of cell, which provides important guidelines for future oxide based all-solid-state battery research and fabrication.

Modelling of plasma-wall interaction and impurity transport in fusion devices and prompt deposition of tungsten as application

NASA Astrophysics Data System (ADS)

Kirschner, A.; Tskhakaya, D.; Brezinsek, S.; Borodin, D.; Romazanov, J.; Ding, R.; Eksaeva, A.; Linsmeier, Ch

2018-01-01

Main processes of plasma-wall interaction and impurity transport in fusion devices and their impact on the availability of the devices are presented and modelling tools, in particular the three-dimensional Monte-Carlo code ERO, are introduced. The capability of ERO is demonstrated on the example of tungsten erosion and deposition modelling. The dependence of tungsten deposition on plasma temperature and density is studied by simulations with a simplified geometry assuming (almost) constant plasma parameters. The amount of deposition increases with increasing electron temperature and density. Up to 100% of eroded tungsten can be promptly deposited near to the location of erosion at very high densities (˜1 × 1014 cm-3 expected e.g. in the divertor of ITER). The effect of the sheath characteristics on tungsten prompt deposition is investigated by using particle-in-cell (PIC) simulations to spatially resolve the plasma parameters inside the sheath. Applying PIC data instead of non-resolved sheath leads in general to smaller tungsten deposition, which is mainly due to a density and temperature decrease towards the surface within the sheath. Two-dimensional tungsten erosion/deposition simulations, assuming symmetry in toroidal direction but poloidally spatially varying plasma parameter profiles, have been carried out for the JET divertor. The simulations reveal, similar to experimental findings, that tungsten gross erosion is dominated in H-mode plasmas by the intra-ELM phases. However, due to deposition, the net tungsten erosion can be similar within intra- and inter-ELM phases if the inter-ELM electron temperature is high enough. Also, the simulated deposition fraction of about 84% in between ELMs is in line with spectroscopic observations from which a lower limit of 50% has been estimated.

Simulated building energy demand biases resulting from the use of representative weather stations

DOE PAGES

Burleyson, Casey D.; Voisin, Nathalie; Taylor, Z. Todd; ...

2017-11-06

Numerical building models are typically forced with weather data from a limited number of “representative cities” or weather stations representing different climate regions. The use of representative weather stations reduces computational costs, but often fails to capture spatial heterogeneity in weather that may be important for simulations aimed at understanding how building stocks respond to a changing climate. Here, we quantify the potential reduction in temperature and load biases from using an increasing number of weather stations over the western U.S. Our novel approach is based on deriving temperature and load time series using incrementally more weather stations, ranging frommore » 8 to roughly 150, to evaluate the ability to capture weather patterns across different seasons. Using 8 stations across the western U.S., one from each IECC climate zone, results in an average absolute summertime temperature bias of ~4.0 °C with respect to a high-resolution gridded dataset. The mean absolute bias drops to ~1.5 °C using all available weather stations. Temperature biases of this magnitude could translate to absolute summertime mean simulated load biases as high as 13.5%. Increasing the size of the domain over which biases are calculated reduces their magnitude as positive and negative biases may cancel out. Using 8 representative weather stations can lead to a 20–40% bias of peak building loads during both summer and winter, a significant error for capacity expansion planners who may use these types of simulations. Using weather stations close to population centers reduces both mean and peak load biases. Our approach could be used by others designing aggregate building simulations to understand the sensitivity to their choice of weather stations used to drive the models.« less

Simulated building energy demand biases resulting from the use of representative weather stations

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

Burleyson, Casey D.; Voisin, Nathalie; Taylor, Z. Todd

Numerical building models are typically forced with weather data from a limited number of “representative cities” or weather stations representing different climate regions. The use of representative weather stations reduces computational costs, but often fails to capture spatial heterogeneity in weather that may be important for simulations aimed at understanding how building stocks respond to a changing climate. Here, we quantify the potential reduction in temperature and load biases from using an increasing number of weather stations over the western U.S. Our novel approach is based on deriving temperature and load time series using incrementally more weather stations, ranging frommore » 8 to roughly 150, to evaluate the ability to capture weather patterns across different seasons. Using 8 stations across the western U.S., one from each IECC climate zone, results in an average absolute summertime temperature bias of ~4.0 °C with respect to a high-resolution gridded dataset. The mean absolute bias drops to ~1.5 °C using all available weather stations. Temperature biases of this magnitude could translate to absolute summertime mean simulated load biases as high as 13.5%. Increasing the size of the domain over which biases are calculated reduces their magnitude as positive and negative biases may cancel out. Using 8 representative weather stations can lead to a 20–40% bias of peak building loads during both summer and winter, a significant error for capacity expansion planners who may use these types of simulations. Using weather stations close to population centers reduces both mean and peak load biases. Our approach could be used by others designing aggregate building simulations to understand the sensitivity to their choice of weather stations used to drive the models.« less

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-04-01

The flow over a 2D leading-edge flat plate is studied at Mach number Ma =(Uinf / \\setmn √{kBTinf / m}) in the range

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2016-11-01

The flow over a 2D leading-edge flat plate is studied at Mach number Ma = (Uinf /√{kBTinf / m }) in the range

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-01-01

The flow over a 2D leading-edge flat plate is studied at Mach number Ma = (Uinf /√{kBTinf / m }) in the range

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev

2016-10-01

The flow over a 2D leading-edge flat plate is studied at Mach number Ma = (Uinf / {kBTinf /m}) in the range

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

The flow over a 2D leading-edge flat plate is studied at Mach number Ma = (Uinf / ∖ sqrt{kBTinf / m})in the range

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

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

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

2016-08-07

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

On FAST3D simulations of directly-driven inertial-fusion targets with high-Z layers for reducing laser imprint and surface non-uniformity growth

NASA Astrophysics Data System (ADS)

Bates, Jason; Schmitt, Andrew; Klapisch, Marcel; Karasik, Max; Obenschain, Steve

2013-10-01

Modifications to the FAST3D code have been made to enhance its ability to simulate the dynamics of plastic ICF targets with high-Z overcoats. This class of problems is challenging computationally due in part to plasma conditions that are not in a state of local thermodynamic equilibrium and to the presence of mixed computational cells containing more than one material. Recently, new opacity tables for gold, palladium and plastic have been generated with an improved version of the STA code. These improved tables provide smoother, higher-fidelity opacity data over a wider range of temperature and density states than before, and contribute to a more accurate treatment of radiative transfer processes in FAST3D simulations. Furthermore, a new, more efficient subroutine known as ``MMEOS'' has been installed in the FAST3D code for determining pressure and temperature equilibrium conditions within cells containing multiple materials. We will discuss these topics, and present new simulation results for high-Z planar-target experiments performed recently on the NIKE Laser Facility. Work supported by DOE/NNSA.

The molecular dynamics simulation on the mechanical properties of Ni glass with external pressure

NASA Astrophysics Data System (ADS)

Zhang, Chuan-Hui; Wang, Ying; Sun, Dong-Bai

2017-08-01

In this paper, rapid quenching of Ni from crystal to metallic glass (MG) at different external pressures is simulated by molecular dynamics. The pair distribution functions (PDFs), mean-square displacement, glass transition temperature (Tg) and elastic property are calculated and compared with each other. The split of the second PDF peak means the liquid’s transition to glass state starts as previously reported for other MGs. And the Ri/R1 ratio rule is found to hold very well in Ni MG and reveals the SPO structural feature in the configurations. Moreover, with high external pressure, Tg values are more approximated by density-temperature and enthalpy-temperature curves. At last, the elastic modulus and mechanics modulus of quenching models produced a monotonous effect with increasing external pressure and temperature.

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

PubMed

Safari, Mahdi; Mosleminiya, Navid; Abdolali, Ali

2017-10-01

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

Mercedes-Benz water molecules near hydrophobic wall: integral equation theories vs Monte Carlo simulations.

PubMed

Urbic, T; Holovko, M F

2011-10-07

Associative version of Henderson-Abraham-Barker theory is applied for the study of Mercedes-Benz model of water near hydrophobic surface. We calculated density profiles and adsorption coefficients using Percus-Yevick and soft mean spherical associative approximations. The results are compared with Monte Carlo simulation data. It is shown that at higher temperatures both approximations satisfactory reproduce the simulation data. For lower temperatures, soft mean spherical approximation gives good agreement at low and at high densities while in at mid range densities, the prediction is only qualitative. The formation of a depletion layer between water and hydrophobic surface was also demonstrated and studied. © 2011 American Institute of Physics

Accessing the band alignment in high efficiency Cu(In,Ga)(Se,S)2 (CIGSSe) solar cells with an InxSy:Na buffer based on temperature dependent measurements and simulations

NASA Astrophysics Data System (ADS)

Schoneberg, Johannes; Ohland, Jörg; Eraerds, Patrick; Dalibor, Thomas; Parisi, Jürgen; Richter, Michael

2018-04-01

We present a one-dimensional simulation model for high efficiency Cu(In,Ga)(Se,S)2 solar cells with a novel band alignment at the hetero-junction. The simulation study is based on new findings about the doping concentration of the InxSy:Na buffer and i-ZnO layers as well as comprehensive solar cell characterization by means of capacitance, current voltage, and external quantum efficiency measurements. The simulation results show good agreement with the experimental data over a broad temperature range, suggesting the simulation model with an interface-near region (INR) of approximately 100 nm around the buffer/absorber interface that is of great importance for the solar cell performance. The INR exhibits an inhomogeneous doping and defect density profile as well as interface traps at the i-layer/buffer and buffer/absorber interfaces. These crucial parameters could be accessed via their opposing behavior on the simulative reconstruction of different measurement characteristics. In this work, we emphasize the necessity to reconstruct the results of a set of experimental methods by means of simulation to find the most appropriate model for the solar cell. Lowly doped buffer and intrinsic window layers in combination with a high space charge at the front of the absorber lead to a novel band alignment in the simulated band structure of the solar cell. The presented insights may guide the strategy of further solar cell optimization including (alkali-) post deposition treatments.

Ion irradiation to simulate neutron irradiation in model graphites: Consequences for nuclear graphite

NASA Astrophysics Data System (ADS)

Galy, N.; Toulhoat, N.; Moncoffre, N.; Pipon, Y.; Bérerd, N.; Ammar, M. R.; Simon, P.; Deldicque, D.; Sainsot, P.

2017-10-01

Due to its excellent moderator and reflector qualities, graphite was used in CO2-cooled nuclear reactors such as UNGG (Uranium Naturel-Graphite-Gaz). Neutron irradiation of graphite resulted in the production of 14C which is a key issue radionuclide for the management of the irradiated graphite waste. In order to elucidate the impact of neutron irradiation on 14C behavior, we carried out a systematic investigation of irradiation and its synergistic effects with temperature in Highly Oriented Pyrolitic Graphite (HOPG) model graphite used to simulate the coke grains of nuclear graphite. We used 13C implantation in order to simulate 14C displaced from its original structural site through recoil. The collision of the impinging neutrons with the graphite matrix carbon atoms induces mainly ballistic damage. However, a part of the recoil carbon atom energy is also transferred to the graphite lattice through electronic excitation. The effects of the different irradiation regimes in synergy with temperature were simulated using ion irradiation by varying Sn(nuclear)/Se(electronic) stopping power. Thus, the samples were irradiated with different ions of different energies. The structure modifications were followed by High Resolution Transmission Electron Microscopy (HRTEM) and Raman microspectrometry. The results show that temperature generally counteracts the disordering effects of irradiation but the achieved reordering level strongly depends on the initial structural state of the graphite matrix. Thus, extrapolating to reactor conditions, for an initially highly disordered structure, irradiation at reactor temperatures (200 - 500 °C) should induce almost no change of the initial structure. On the contrary, when the structure is initially less disordered, there should be a "zoning" of the reordering: In "cold" high flux irradiated zones where the ballistic damage is important, the structure should be poorly reordered; In "hot" low flux irradiated zones where the ballistic impact is lower and can therefore be counteracted by temperature, a better reordering of the structure should be achieved. Concerning 14C, except when located close to open pores where it can be removed through radiolytic corrosion, it tends to stabilize in the graphite matrix into sp2 or sp3 structures with variable proportions depending on the irradiation conditions.

Numerical simulation of ozone loss in the Antarctic winters 2005-2008: Comparison with MLS measurements

NASA Astrophysics Data System (ADS)

Kuttippurath, J.; Godin-Beekmann, S.; Lefevre, F.; Pazmino, A.

2009-04-01

The ozone loss in the recent Antarctic winters were high enough to pause a lag in the recovery phase of stratospheric ozone above this continent. We quantitatively examine the extent of ozone loss variability during 2005-2008 with simulations from a high resolution chemical transport model, MIMOSA-CHIM. The simulated results are cross-checked with the observed loss from Microwave Limb Sounder (MLS) satellite sensor data. This study uses the vortex averaged data at the potential temperature level 475 K from both MIMOSA and MLS to estimate the ozone loss by transport method. Minimum temperatures calculated from ECMWF analyzes over 50-90°S at 475 K are coldest in 2008 during June-July and in 2006 during September-November. In general, Antarctic winters experience NAT temperatures from mid-May to mid-October and ICE temperatures from June to September. Due to the saturation of chemical ozone loss, the year-to-year difference in temperatures do not have a large effect. The estimated cumulative ozone loss from MIMOSA-CHIM at 475 K is 3.2 in 2005, 2.9 in 2006, 2.8 in 2007 and 2.0 ppm in 2008. The measured cumulative loss in the respective years also show similar values: respectively 3.3, 3.2, 2.8 and 2.2 ppm in 2005, 2006, 2007 and 2008. Both data sets show the same loss trend, as the cumulative loss is highest in 2005 followed by 2006 and the lowest in 2008, and are in accord with the chlorine activation and denitrification found in the respective winters. The simulations in 2008 lack adequate diabatic descent as assessed from tracer simulations in comparison with measurements. This eventually produced relatively lower values for ozone loss in 2008 in both data sets even though the observed chlorine activation was found to be similar to previous winters.

Quark structure of static correlators in high temperature QCD

NASA Astrophysics Data System (ADS)

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

1992-07-01

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

The Effects of Simulated Live-release Walleye Tournaments on Survival and Blood Chemistry

USGS Publications Warehouse

Loomis, John H.; Schramm, Harold L.; Vondracek, Bruce C.; Gerard, Patrick D.; Chizinski, Christopher J.

2013-01-01

We examined the effects of acclimation water temperature,live-well (LW) water temperature,and LW dissolved oxygen (DO) concentration on survival of adult WalleyesSander vitreus subjected to simulated tournament conditions (angling,LW confinement,and weigh-in procedures) under controlled laboratory conditions. We tested three acclimation temperatures (12,18,and 24°C),and three LW temperature differentials (ΔT = −4,0,and +4°C) were tested at each acclimation temperature. Survival was monitored after 8 h of LW confinement and during a 5-d retention period in 1,700-L tanks. None of the Walleyes that were acclimated to 24°C and subjected to simulated tournament procedures survived the 5-d retention period; for fish subjected only to simulated angling at 24°C,survival during the 5-d retention period was 29%. Five-day survival was generally over 70% at acclimation temperatures of 12°C and 18°C,and we observed a significant interaction between acclimation temperature and ΔT; survival was greatest in LWs at −4°C ΔT for fish acclimated to 18°C and in LWs at +4°C ΔT for fish acclimated to 12°C. Best survival of Walleyes subjected to the stress of angling and tournament procedures was obtained at temperatures 6–8°C below the optimum temperature for adult Walleyes (i.e.,optimum = 20–22°C). Five-day survival exceeded 70% when LW DO was 5 or 12–15 mg/L (at an acclimation and LW temperature of 18°C),but survival was 0% when DO was 2 mg/L. Anglers may increase survival of Walleyes through careful manipulation of LW temperature and DO when ambient temperature is at or below 18°C,but high mortality of angled and LW-retained Walleyes should be expected when ambient water temperatures are 24°C or greater.

Effects of simulated angler capture and live-release tournaments on walleye survival

USGS Publications Warehouse

Loomis, John H.; Schramm, Harold L.; Vondracek, Bruce C.; Gerard, Patrick D.; Chizinski, Christopher J.

2015-01-01

We examined the effects of acclimation water temperature,live-well (LW) water temperature,and LW dissolved oxygen (DO) concentration on survival of adult WalleyesSander vitreus subjected to simulated tournament conditions (angling,LW confinement,and weigh-in procedures) under controlled laboratory conditions. We tested three acclimation temperatures (12,18,and 24°C),and three LW temperature differentials (ΔT = −4,0,and +4°C) were tested at each acclimation temperature. Survival was monitored after 8 h of LW confinement and during a 5-d retention period in 1,700-L tanks. None of the Walleyes that were acclimated to 24°C and subjected to simulated tournament procedures survived the 5-d retention period; for fish subjected only to simulated angling at 24°C,survival during the 5-d retention period was 29%. Five-day survival was generally over 70% at acclimation temperatures of 12°C and 18°C,and we observed a significant interaction between acclimation temperature and ΔT; survival was greatest in LWs at −4°C ΔT for fish acclimated to 18°C and in LWs at +4°C ΔT for fish acclimated to 12°C. Best survival of Walleyes subjected to the stress of angling and tournament procedures was obtained at temperatures 6–8°C below the optimum temperature for adult Walleyes (i.e.,optimum = 20–22°C). Five-day survival exceeded 70% when LW DO was 5 or 12–15 mg/L (at an acclimation and LW temperature of 18°C),but survival was 0% when DO was 2 mg/L. Anglers may increase survival of Walleyes through careful manipulation of LW temperature and DO when ambient temperature is at or below 18°C,but high mortality of angled and LW-retained Walleyes should be expected when ambient water temperatures are 24°C or greater.

Application of millisecond pulsed laser for thermal fatigue property evaluation

NASA Astrophysics Data System (ADS)

Pan, Sining; Yu, Gang; Li, Shaoxia; He, Xiuli; Xia, Chunyang; Ning, Weijian; Zheng, Caiyun

2018-02-01

An approach based on millisecond pulsed laser is proposed for thermal fatigue property evaluation in this paper. Cyclic thermal stresses and strains within millisecond interval are induced by complex and transient temperature gradients with pulsed laser heating. The influence of laser parameters on surface temperature is studied. The combination of low pulse repetition rate and high pulse energy produces small temperature oscillation, while high pulse repetition rate and low pulse energy introduces large temperature shock. The possibility of application is confirmed by two thermal fatigue tests of compacted graphite iron with different laser controlled modes. The developed approach is able to fulfill the preset temperature cycles and simulate thermal fatigue failure of engine components.

Static and Dynamic Disorder in Bacterial Light-Harvesting Complex LH2: A 2DES Simulation Study.

PubMed

Rancova, Olga; Abramavicius, Darius

2014-07-10

Two-dimensional coherent electronic spectroscopy (2DES) is a powerful technique in distinguishing homogeneous and inhomogeneous broadening contributions to the spectral line shapes of molecular transitions induced by environment fluctuations. Using an excitonic model of a double-ring LH2 aggregate, we perform simulations of its 2DES spectra and find that the model of a harmonic environment cannot provide a consistent set of parameters for two temperatures: 77 K and room temperature. This indicates the highly anharmonic nature of protein fluctuations for the pigments of the B850 ring. However, the fluctuations of B800 ring pigments can be assumed as harmonic in this temperature range.

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.

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.

Emission spectroscopy of an atmospheric pressure plasma jet operated with air at low frequency

NASA Astrophysics Data System (ADS)

Giuliani, L.; Gallego, J. L.; Minotti, F.; Kelly, H.; Grondona, D.

2015-03-01

Low-temperature, high-pressure plasma jets have an extensive use in plasma biology and plasma medicine, such as pathogen deactivation, wound disinfection, stopping of bleeding without damage of healthy tissue, acceleration of wound healing, control of bio-film proliferation, etc. In this work, a spectroscopic characterization of a typical plasma jet, operated in air at atmospheric pressure, is reported. Within the spectrum of wavelengths from 200 to 450 nm all remarkable emissions of N2 were monitored. Spectra of the N2 2nd positive system (C3Πu-B3Πg) emitted in air are the most convenient for plasma diagnostics, since they enable to determine electronic Te, rotational Tr and vibrational Tv temperatures by fitting the experimental spectra with the simulated ones. We used SPECAIR software for spectral simulation and obtained the best fit with all these temperatures about 3500K. The conclusion that all temperatures are equal, and its relatively high value, is consistent with the results of a previous work, where it was found that the experimentally determined electrical characteristic was consistent with the model of a thermal arc discharge, together with a highly collisional cathode sheet.

High pressure combustion of liquid fuels. [alcohol and n-paraffin fuels

NASA Technical Reports Server (NTRS)

Canada, G. S.

1974-01-01

Measurements were made of the burning rates and liquid surface temperatures for a number of alcohol and n-paraffin fuels under natural and forced convection conditions. Porous spheres ranging in size from 0.64-1.9 cm O.D. were emloyed to simulate the fuel droplets. The natural convection cold gas tests considered the combustion in air of methanol, ethanol, propanol-1, n-pentane, n-heptane, and n-decane droplets at pressures up to 78 atmospheres. The pressure levels of the natural convection tests were high enough so that near critical combustion was observed for methanol and ethanol vaporization rates and liquid surface temperature measurements were made of droplets burning in a simulated combustion chamber environment. Ambient oxygen molar concentrations included 13%, 9.5% and pure evaporation. Fuels used in the forced convection atmospheric tests included those listed above for the natural convection tests. The ambient gas temperature ranged from 600 to 1500 K and the Reynolds number varied from 30 to 300. The high pressure forced convection tests employed ethanol and n-heptane as fuels over a pressure range of one to 40 atmospheres. The ambient gas temperature was 1145 K for the two combustion cases and 1255 K for the evaporation case.

Effect of alkyl branches on the thermal stability of quaternary ammonium cations in organic electrolytes for electrochemical double layer capacitors.

PubMed

Ahn, Yong Nam; Lee, Sung Hoon; Lee, Goo Soo; Kim, Hyunbin

2017-08-02

Quaternary ammoniums are cations having widespread use in organic electrolytes for high performance electrochemical double layer capacitors (EDLCs) due to their various advantages such as high electrochemical stability and inexpensive production cost. However, the decomposition of quaternary ammoniums via Hofmann elimination hinders their applications for EDLCs operating at elevated temperatures. This study systematically investigates the reactivity of four different quaternary ammoniums (tetraethyl-, triethylmethyl-, diethyldimethyl-, and trimethylethyl-ammonium) in EDLC by utilizing density functional theory calculations and Brownian dynamics simulations complemented with molecular dynamics simulations. It is found that ammonium stability reduces upon increasing the number of ethyl branches that have a stronger positive charge than the methyl groups. However, the contribution of the entropy change to the reaction free energy makes trimethylethylammonium less stable than diethyldimethylammonium at room temperature although the former has less ethyl branches than the latter. Trimethylethylammonium becomes the most stable at a high temperature of 488 K above which the activation free energy becomes effectively negligible and thus the number of reactive sites determines the overall stability. The fundamental understanding of the ammonium decompositions through Hofmann elimination demonstrated in this study is expected to contribute to developing new long-life organic electrolyte systems for high-temperature applications.

Development of techniques and associated instrumentation for high temperature emissivity measurements

NASA Technical Reports Server (NTRS)

Cunnington, G. R.; Funaa, A. I.; Cassady, P. E.

1973-01-01

Studies were made to develop a test apparatus for the measurement of total emittance of materials under repeated exposure to simulated earth entry conditions. As no existing test facility met the emittance measurement and entry simulation goals, a new apparatus was designed, fabricated and checked out. This apparatus has the capability of performing total and spectral emittance measurements during cyclic temperature and pressure exposure under sonic and supersonic flow conditions. Emittance measurements were performed on a series of oxidized superalloys, silicide coated columbium alloys and ceramic coatings.

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

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

DeVoto, Douglas J.

2017-10-19

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

Thermal Characterization of a Simulated Fission Engine via Distributed Fiber Bragg Gratings

NASA Astrophysics Data System (ADS)

Duncan, Roger G.; Fielder, Robert S.; Seeley, Ryan J.; Kozikowski, Carrie L.; Raum, Matthew T.

2005-02-01

We report the use of distributed fiber Bragg gratings to monitor thermal conditions within a simulated nuclear reactor core located at the Early Flight Fission Test Facility of the NASA Marshall Space Flight Center. Distributed fiber-optic temperature measurements promise to add significant capability and advance the state-of-the-art in high-temperature sensing. For the work reported herein, seven probes were constructed with ten sensors each for a total of 70 sensor locations throughout the core. These discrete temperature sensors were monitored over a nine hour period while the test article was heated to over 700 °C and cooled to ambient through two operational cycles. The sensor density available permits a significantly elevated understanding of thermal effects within the simulated reactor. Fiber-optic sensor performance is shown to compare very favorably with co-located thermocouples where such co-location was feasible.

Atomic concentration effect on thermal properties during solidification of Pt-Rh alloy: A molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Yildiz, A. K.; Celik, F. A.

2017-04-01

The solidification process of Platinum-Rhodium alloy from liquid phase to solid state is investigated at the nano-scale by using Molecular Dynamics Simulation (MDS) for different atomic concentration ratios of Pt. The critical nucleus radius, the bond order parameter, interfacial free energies and total energy based on nucleation theory of the alloy are examined with respect to the temperature changes. The heat of fusion from high temperatures to low temperatures during solidification of the alloy system is determined from molecular dynamics simulation. The structural development is determined from the radial distribution function. It is observed from the results that the melting point of the alloy system decreases with increasing concentration of Pt and that variation of Pt ratio in the alloy shows a remarkable effect on solidification to understand the cooling process of thermal effects.

Validation of the solar heating and cooling high speed performance (HISPER) computer code

NASA Technical Reports Server (NTRS)

Wallace, D. B.

1980-01-01

Developed to give a quick and accurate predictions HISPER, a simplification of the TRNSYS program, achieves its computational speed by not simulating detailed system operations or performing detailed load computations. In order to validate the HISPER computer for air systems the simulation was compared to the actual performance of an operational test site. Solar insolation, ambient temperature, water usage rate, and water main temperatures from the data tapes for an office building in Huntsville, Alabama were used as input. The HISPER program was found to predict the heating loads and solar fraction of the loads with errors of less than ten percent. Good correlation was found on both a seasonal basis and a monthly basis. Several parameters (such as infiltration rate and the outside ambient temperature above which heating is not required) were found to require careful selection for accurate simulation.

Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets

DOE PAGES

Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai -Zhuang; ...

2015-03-05

The concerns about the supply and resource of rare earth (RE) metals have generated a lot of interests in searching for high performance RE-free permanent magnets. Alnico alloys are traditional non-RE permanent magnets and have received much attention recently due their good performance at high temperature. In this paper, we develop an accurate and efficient cluster expansion energy model for alnico 5–7. Monte Carlo simulations using the cluster expansion method are performed to investigate the structure of alnico 5–7 at atomistic and nano scales. The alnico 5–7 master alloy is found to decompose into FeCo-rich and NiAl-rich phases at lowmore » temperature. The boundary between these two phases is quite sharp (~2 nm) for a wide range of temperature. The compositions of the main constituents in these two phases become higher when the temperature gets lower. Both FeCo-rich and NiAl-rich phases are in B2 ordering with Fe and Al on α-site and Ni and Co on β-site. The degree of order of the NiAl-rich phase is much higher than that of the FeCo-rich phase. In addition, a small magnetic moment is also observed in NiAl-rich phase but the moment reduces as the temperature is lowered, implying that the magnetic properties of alnico 5–7 could be improved by lowering annealing temperature to diminish the magnetism in NiAl-rich phase. Furthermore, the results from our Monte Carlo simulations are consistent with available experimental results.« less

Cluster expansion modeling and Monte Carlo simulation of alnico 5-7 permanent magnets

NASA Astrophysics Data System (ADS)

Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; Ho, Kai-Ming

2015-03-01

The concerns about the supply and resource of rare earth (RE) metals have generated a lot of interests in searching for high performance RE-free permanent magnets. Alnico alloys are traditional non-RE permanent magnets and have received much attention recently due their good performance at high temperature. In this paper, we develop an accurate and efficient cluster expansion energy model for alnico 5-7. Monte Carlo simulations using the cluster expansion method are performed to investigate the structure of alnico 5-7 at atomistic and nano scales. The alnico 5-7 master alloy is found to decompose into FeCo-rich and NiAl-rich phases at low temperature. The boundary between these two phases is quite sharp (˜2 nm) for a wide range of temperature. The compositions of the main constituents in these two phases become higher when the temperature gets lower. Both FeCo-rich and NiAl-rich phases are in B2 ordering with Fe and Al on α-site and Ni and Co on β-site. The degree of order of the NiAl-rich phase is much higher than that of the FeCo-rich phase. A small magnetic moment is also observed in NiAl-rich phase but the moment reduces as the temperature is lowered, implying that the magnetic properties of alnico 5-7 could be improved by lowering annealing temperature to diminish the magnetism in NiAl-rich phase. The results from our Monte Carlo simulations are consistent with available experimental results.

Modeling ecohydrological impacts of land management and water use in the Silver Creek basin, Idaho

NASA Astrophysics Data System (ADS)

Loinaz, Maria C.; Gross, Dayna; Unnasch, Robert; Butts, Michael; Bauer-Gottwein, Peter

2014-03-01

A number of anthropogenic stressors, including land use change and intensive water use, have caused stream habitat deterioration in arid and semiarid climates throughout the western U.S. These often contribute to high stream temperatures, a widespread water quality problem. Stream temperature is an important indicator of stream ecosystem health and is affected by catchment-scale climate and hydrological processes, morphology, and riparian vegetation. To properly manage affected systems and achieve ecosystem sustainability, it is important to understand the relative impact of these factors. In this study, we predict relative impacts of different stressors using an integrated catchment-scale ecohydrological model that simulates hydrological processes, stream temperature, and fish growth. This type of model offers a suitable measure of ecosystem services because it provides information about the reproductive capability of fish under different conditions. We applied the model to Silver Creek, Idaho, a stream highly valued for its world-renowned trout fishery. The simulations indicated that intensive water use by agriculture and climate change are both major contributors to habitat degradation in the study area. Agricultural practices that increase water use efficiency and mitigate drainage runoff are feasible and can have positive impacts on the ecosystem. All of the mitigation strategies simulated reduced stream temperatures to varying degrees; however, not all resulted in increases in fish growth. The results indicate that temperature dynamics, rather than point statistics, determine optimal growth conditions for fish. Temperature dynamics are influenced by surface water-groundwater interactions. Combined restoration strategies that can achieve ecosystem stability under climate change should be further explored.

New molten salt systems for high-temperature molten salt batteries: LiF-LiCl-LiBr-based quaternary systems

NASA Astrophysics Data System (ADS)

Fujiwara, Syozo; Inaba, Minoru; Tasaka, Akimasa

To develop novel multi-component molten salt systems more effectively, we developed a simulative technique using the CALPHAD (Calculation of Phase Diagram and Thermodynamics) method to estimate the ionic conductivity and the melting point. The validity of this new simulative technique was confirmed by comparing the simulated ionic conductivities and melting points of typical high-temperature molten salts, such as LiF-LiCl-LiBr, LiF-LiBr-KBr, LiCl-LiBr-KBr, and LiCl-LiBr-LiI, with those reported data in the literature or experimentally obtained. This simulative technique was used to develop new quaternary molten salt systems for use as electrolytes in high-temperature molten salt batteries (called thermal batteries). The targets of the ionic conductivity and the melting point were set at 2.0 S cm -1 and higher at 500 °C, and in the range of 350-430 °C, respectively, to replace the LiCl-KCl system (1.85 S cm -1 at 500 °C) within the conventional design of the heat generation system for thermal batteries. Using the simulative method, six kinds of novel quaternary systems, LiF-LiCl-LiBr-MX (M = Na and K; X = F, Cl, and Br), which contain neither environmentally instable anions such as iodides nor expensive cations such as Rb + and Cs +, were proposed. Experimental results showed that the LiF-LiCl-LiBr-0.10NaX (X = Cl and Br) and LiF-LiCl-LiBr-0.10KX (X = F, Cl, and Br) systems meet our targets of both the ionic conductivity and the melting point.

Size-exclusion chromatography for the determination of the boiling point distribution of high-boiling petroleum fractions.

PubMed

Boczkaj, Grzegorz; Przyjazny, Andrzej; Kamiński, Marian

2015-03-01

The paper describes a new procedure for the determination of boiling point distribution of high-boiling petroleum fractions using size-exclusion chromatography with refractive index detection. Thus far, the determination of boiling range distribution by chromatography has been accomplished using simulated distillation with gas chromatography with flame ionization detection. This study revealed that in spite of substantial differences in the separation mechanism and the detection mode, the size-exclusion chromatography technique yields similar results for the determination of boiling point distribution compared with simulated distillation and novel empty column gas chromatography. The developed procedure using size-exclusion chromatography has a substantial applicability, especially for the determination of exact final boiling point values for high-boiling mixtures, for which a standard high-temperature simulated distillation would have to be used. In this case, the precision of final boiling point determination is low due to the high final temperatures of the gas chromatograph oven and an insufficient thermal stability of both the gas chromatography stationary phase and the sample. Additionally, the use of high-performance liquid chromatography detectors more sensitive than refractive index detection allows a lower detection limit for high-molar-mass aromatic compounds, and thus increases the sensitivity of final boiling point determination. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of TIMS performance subjected to simulated wind blast

NASA Technical Reports Server (NTRS)

Jaggi, S.; Kuo, S.

1992-01-01

The results of the performance of the Thermal Infrared Multispectral Scanner (TIMS) when it is subjected to various wind conditions in the laboratory are described. Various wind conditions were simulated using a 24 inch fan or combinations of air jet streams blowing toward either or both of the blackbody surfaces. The fan was used to simulate a large volume of air flow at moderate speeds (up to 30 mph). The small diameter air jets were used to probe TIMS system response in reaction to localized wind perturbations. The maximum nozzle speed of the air jet was 60 mph. A range of wind directions and speeds were set up in the laboratory during the test. The majority of the wind tests were conducted under ambient conditions with the room temperature fluctuating no more than 2 C. The temperature of the high speed air jet was determined to be within 1 C of the room temperature. TIMS response was recorded on analog tape. Additional thermistor readouts of the blackbody temperatures and thermocouple readout of the ambient temperature were recorded manually to be compared with the housekeeping data recorded on the tape. Additional tests were conducted under conditions of elevated and cooled room temperatures. The room temperature was varied between 19.5 to 25.5 C in these tests. The calibration parameters needed for quantitative analysis of TIMS data were first plotted on a scanline-by-scanline basis. These parameters are the low and high blackbody temperature readings as recorded by the TIMS and their corresponding digitized count values. Using these values, the system transfer equations were calculated. This equation allows us to compute the flux for any video count by computing the slope and intercept of the straight line that relates the flux to the digital count. The actual video of the target (the lab floor in this case) was then compared with a simulated target. This simulated target was assumed to be a blackbody at emissivity of .95 degrees and the temperature was assumed to be at ambient temperature as recorded by the TIMS for each scanline. Using the slope and the intercept the flux corresponding to this target was converted into digital counts. The counts were observed to have a strong correlation with the actual video as recorded by the TIMS. The attached graphs describe the performance of the TIMS when compressed air is blown at each one of the blackbodies at different speeds. The effect of blowing a fan and changing the room temperature is also being analyzed. Results indicate that the TIMS system responds to variation in wind speed in real time and maintains the capability to produce accurate temperatures on a scan line basis.

The influence of air temperature inversions on snowmelt and glacier mass-balance simulations, Ammassalik island, SE Greenland

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

Mernild, Sebastian Haugard; Liston, Glen

2009-01-01

In many applications, a realistic description of air temperature inversions is essential for accurate snow and glacier ice melt, and glacier mass-balance simulations. A physically based snow-evolution modeling system (SnowModel) was used to simulate eight years (1998/99 to 2005/06) of snow accumulation and snow and glacier ice ablation from numerous small coastal marginal glaciers on the SW-part of Ammassalik Island in SE Greenland. These glaciers are regularly influenced by inversions and sea breezes associated with the adjacent relatively low temperature and frequently ice-choked fjords and ocean. To account for the influence of these inversions on the spatiotemporal variation of airmore » temperature and snow and glacier melt rates, temperature inversion routines were added to MircoMet, the meteorological distribution sub-model used in SnowModel. The inversions were observed and modeled to occur during 84% of the simulation period. Modeled inversions were defined not to occur during days with strong winds and high precipitation rates due to the potential of inversion break-up. Field observations showed inversions to extend from sea level to approximately 300 m a.s.l., and this inversion level was prescribed in the model simulations. Simulations with and without the inversion routines were compared. The inversion model produced air temperature distributions with warmer lower elevation areas and cooler higher elevation areas than without inversion routines due to the use of cold sea-breeze base temperature data from underneath the inversion. This yielded an up to 2 weeks earlier snowmelt in the lower areas and up to 1 to 3 weeks later snowmelt in the higher elevation areas of the simulation domain. Averaged mean annual modeled surface mass-balance for all glaciers (mainly located above the inversion layer) was -720 {+-} 620 mm w.eq. y{sup -1} for inversion simulations, and -880 {+-} 620 mm w.eq. y{sup -1} without the inversion routines, a difference of 160 mm w.eq. y{sup -1}. The annual glacier loss for the two simulations was 50.7 x 10{sup 6} m{sup 3} y{sup -1} and 64.4 x 10{sup 6} m{sup 3} y{sup -1} for all glaciers - a difference of {approx}21%. The average equilibrium line altitude (ELA) for all glaciers in the simulation domain was located at 875 m a.s.l. and at 900 m a.s.l. for simulations with or without inversion routines, respectively.« less

Comparison of Waste Heat Driven and Electrically Driven Cooling Systems for a High Ambient Temperature, Off-Grid Application

DTIC Science & Technology

2012-12-10

combustion (IC) engine , Type 907, and its dat file was modified to match the expected fuel consumption and performance of the ...temperature output by the AS desorber. Depending on this DB set temperature, fuel would be burned to raise the temperature of the engine exhaust stream...in the simulations, it was based upon experimental data provided for this project indicating the performance of a 3 kW diesel

Evaluation of an innovative high temperature ceramic wafer seal for hypersonic engine applications. Ph.D. Thesis, 1991

NASA Technical Reports Server (NTRS)

Steinetz, Bruce M.

1992-01-01

A critical mechanical system in advanced hypersonic engines is the panel-edge seal system that seals gaps between the articulating engine panels and the adjacent engine splitter walls. Significant advancements in seal technology are required to meet the extreme demands placed on the seals, including the simultaneous requirements of low leakage, conformable, high temperature, high pressure, sliding operation. In this investigation, the design, development, analytical and experimental evaluation of a new ceramic wafer seal that shows promise of meeting these demands will be addressed. A high temperature seal test fixture was designed and fabricated to measure static seal leakage performance under engine simulated conditions. Ceramic wafer seal leakage rates are presented for engine-simulated air pressure differentials (up to 100 psi), and temperature (up to 1350 F), sealing both flat and distorted wall conditions, where distortions can be as large as 0.15 inches in only an 18 inch span. Seal leakage rates are low, meeting an industry-established tentative leakage limit for all combinations of temperature, pressure and wall conditions considered. A seal leakage model developed from externally-pressurized gas film bearing theory is also presented. Predicted leakage rates agree favorably with the measured data for nearly all conditions of temperature and pressure. Discrepancies noted at high engine pressure and temperature are attributed to thermally-induced, non-uniform changes in the size and shape of the leakage gap condition. The challenging thermal environment the seal must operate in places considerable demands on the seal concept and material selection. Of the many high temperature materials considered in the design, ceramics were the only materials that met the many challenging seal material design requirements. Of the aluminum oxide, silicon carbide, and silicon nitride ceramics considered in the material ranking scheme developed herein, the silicon nitride class of ceramics ranked the highest because of their high temperature strength; resistance to the intense heating rates; resistance to hydrogen damage; and good structural properties. Baseline seal feasibility has been established through the research conducted in this investigation. Recommendations for future work are also discussed.

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.

Station Blackout Analysis of HTGR-Type Experimental Power Reactor

NASA Astrophysics Data System (ADS)

Syarip; Zuhdi, Aliq; Falah, Sabilul

2018-01-01

The National Nuclear Energy Agency of Indonesia has decided to build an experimental power reactor of high-temperature gas-cooled reactor (HTGR) type located at Puspiptek Complex. The purpose of this project is to demonstrate a small modular nuclear power plant that can be operated safely. One of the reactor safety characteristics is the reliability of the reactor to the station blackout (SBO) event. The event was observed due to relatively high disturbance frequency of electricity network in Indonesia. The PCTRAN-HTR functional simulator code was used to observe fuel and coolant temperature, and coolant pressure during the SBO event. The reactor simulated at 10 MW for 7200 s then the SBO occurred for 1-3 minutes. The analysis result shows that the reactor power decreases automatically as the temperature increase during SBO accident without operator’s active action. The fuel temperature increased by 36.57 °C every minute during SBO and the power decreased by 0.069 MW every °C fuel temperature rise at the condition of anticipated transient without reactor scram. Whilst, the maximum coolant (helium) temperature and pressure are 1004 °C and 9.2 MPa respectively. The maximum fuel temperature is 1282 °C, this value still far below the fuel temperature limiting condition i.e. 1600 °C, its mean that the HTGR has a very good inherent safety system.

Development of self-powered wireless high temperature electrochemical sensor for in situ corrosion monitoring of coal-fired power plant.

PubMed

Aung, Naing Naing; Crowe, Edward; Liu, Xingbo

2015-03-01

Reliable wireless high temperature electrochemical sensor technology is needed to provide in situ corrosion information for optimal predictive maintenance to ensure a high level of operational effectiveness under the harsh conditions present in coal-fired power generation systems. This research highlights the effectiveness of our novel high temperature electrochemical sensor for in situ coal ash hot corrosion monitoring in combination with the application of wireless communication and an energy harvesting thermoelectric generator (TEG). This self-powered sensor demonstrates the successful wireless transmission of both corrosion potential and corrosion current signals to a simulated control room environment. Copyright © 2014 ISA. All rights reserved.

High temperature antenna development for space shuttle, volume 1

NASA Technical Reports Server (NTRS)

Kuhlman, E. A.

1973-01-01

Design concepts for high temperature flush mounted Space Shuttle Orbiter antenna systems are discussed. The design concepts include antenna systems for VHF, L-band, S-band, C-band and Ku-band frequencies. The S-band antenna system design was completed and test hardware fabricated. It was then subjected to electrical and thermal testing to establish design requirements and determine reuse capabilities. The thermal tests consisted of applying ten high temperature cycles simulating the Orbiter entry heating environment in an arc tunnel plasma facility and observing the temperature distributions. Radiation pattern and impedance measurements before and after high temperature exposure were used to evaluated the antenna systems performance. Alternate window design concepts are considered. Layout drawings, supported by thermal and strength analyses, are given for each of the antenna system designs. The results of the electrical and thermal testing of the S-band antenna system are given.

High-temperature test facility at the NASA Lewis engine components research laboratory

NASA Technical Reports Server (NTRS)

Colantonio, Renato O.

1990-01-01

The high temperature test facility (HTTF) at NASA-Lewis Engine Components Research Laboratory (ECRL) is presently used to evaluate the survivability of aerospace materials and the effectiveness of new sensing instrumentation in a realistic afterburner environment. The HTTF has also been used for advanced heat transfer studies on aerospace components. The research rig uses pressurized air which is heated with two combustors to simulate high temperature flow conditions for test specimens. Maximum airflow is 31 pps. The HTTF is pressure rated for up to 150 psig. Combustors are used to regulate test specimen temperatures up to 2500 F. Generic test sections are available to house test plates and advanced instrumentation. Customized test sections can be fabricated for programs requiring specialized features and functions. The high temperature test facility provides government and industry with a facility for testing aerospace components. Its operation and capabilities are described.

Performance of a high-work, low-aspect-ratio turbine stator tested with a realistic inlet radial temperature gradient

NASA Technical Reports Server (NTRS)

Stabe, Roy G.; Schwab, John R.

1991-01-01

A 0.767-scale model of a turbine stator designed for the core of a high-bypass-ratio aircraft engine was tested with uniform inlet conditions and with an inlet radial temperature profile simulating engine conditions. The principal measurements were radial and circumferential surveys of stator-exit total temperature, total pressure, and flow angle. The stator-exit flow field was also computed by using a three-dimensional Navier-Stokes solver. Other than temperature, there were no apparent differences in performance due to the inlet conditions. The computed results compared quite well with the experimental results.

Analysis of uncertainties in turbine metal temperature predictions

NASA Technical Reports Server (NTRS)

Stepka, F. S.

1980-01-01

An analysis was conducted to examine the extent to which various factors influence the accuracy of analytically predicting turbine blade metal temperatures and to determine the uncertainties in these predictions for several accuracies of the influence factors. The advanced turbofan engine gas conditions of 1700 K and 40 atmospheres were considered along with those of a highly instrumented high temperature turbine test rig and a low temperature turbine rig that simulated the engine conditions. The analysis showed that the uncertainty in analytically predicting local blade temperature was as much as 98 K, or 7.6 percent of the metal absolute temperature, with current knowledge of the influence factors. The expected reductions in uncertainties in the influence factors with additional knowledge and tests should reduce the uncertainty in predicting blade metal temperature to 28 K, or 2.1 percent of the metal absolute temperature.

Establishment and analysis of a High-Resolution Assimilation Dataset of the water-energy cycle in China

NASA Astrophysics Data System (ADS)

Zhu, X.; Wen, X.; Zheng, Z.

2017-12-01

For better prediction and understanding of land-atmospheric interaction, in-situ observed meteorological data acquired from the China Meteorological Administration (CMA) were assimilated in the Weather Research and Forecasting (WRF) model and the monthly Green Vegetation Coverage (GVF) data, which was calculated using the Normalized Difference Vegetation Index (NDVI) of the Earth Observing System Moderate-Resolution Imaging Spectroradiometer (EOS-MODIS) and Digital Elevation Model (DEM) data of the Shuttle Radar Topography Mission (SRTM) system. Furthermore, the WRF model produced a High-Resolution Assimilation Dataset of the water-energy cycle in China (HRADC). This dataset has a horizontal resolution of 25 km for near surface meteorological data, such as air temperature, humidity, wind vectors and pressure (19 levels); soil temperature and moisture (four levels); surface temperature; downward/upward short/long radiation; 3-h latent heat flux; sensible heat flux; and ground heat flux. In this study, we 1) briefly introduce the cycling 3D-Var assimilation method and 2) compare results of meteorological elements, such as 2 m temperature and precipitation generated by the HRADC with the gridded observation data from CMA, and surface temperature and specific humidity with Global LandData Assimilation System (GLDAS) output data from the National Aeronautics and Space Administration (NASA). We found that the satellite-derived GVF from MODIS increased over southeast China compared with the default model over the whole year. The simulated results of soil temperature, net radiation and surface energy flux from the HRADC are improved compared with the control simulation and are close to GLDAS outputs. The values of net radiation from HRADC are higher than the GLDAS outputs, and the differences in the simulations are large in the east region but are smaller in northwest China and on the Qinghai-Tibet Plateau. The spatial distribution of the sensible heat flux and the ground heat flux from HRADC is consistent with the GLDAS outputs in summer. In general, the simulated results from HRADC are an improvement on the control simulation and can present the characteristics of the spatial and temporal variation of the water-energy cycle in China.

High Resolution Forecasting System for Mountain area based on KLAPS-WRF

NASA Astrophysics Data System (ADS)

Chun, Ji Min; Rang Kim, Kyu; Lee, Seon-Yong; Kang, Wee Soo; Park, Jong Sun; Yi, Chae Yeon; Choi, Young-jean; Park, Eun Woo; Hong, Soon Sung; Jung, Hyun-Sook

2013-04-01

This paper reviews the results of recent observations and simulations on the thermal belt and cold air drainage, which are outstanding in local climatic phenomena in mountain areas. In a mountain valley, cold air pool and thermal belt were simulated with the Weather and Research Forecast (WRF) model and the Korea Local Analysis and Prediction System (KLAPS) to determine the impacts of planetary boundary layer (PBL) schemes and topography resolution on model performance. Using the KLAPS-WRF models, an information system was developed for 12 hour forecasting of cold air damage in orchard. This system was conducted on a three level nested grid from 1 km to 111 m horizontal resolution. Results of model runs were verified by the data from automated weather stations, which were installed at twelve sites in a valley at Yeonsuri, Yangpyeonggun, Gyeonggido to measure temperature and wind speed and direction during March to May 2012. The potential of the numerical model to simulate these local features was found to be dependent on the planetary boundary layer schemes. Statistical verification results indicate that Mellor-Yamada-Janjic (MYJ) PBL scheme was in good agreement with night time temperature, while the no-PBL scheme produced predictions similar to the day time temperature observation. Although the KLAPS-WRF system underestimates temperature in mountain areas and overestimates wind speed, it produced an accurate description of temperature, with an RMSE of 1.67 ˚C in clear daytime. Wind speed and direction were not forecasted well in precision (RMSE: 5.26 m/s and 10.12 degree). It might have been caused by the measurement uncertainty and spatial variability. Additionally, the performance of KLAPS-WRF was performed to evaluate for different terrain resolution: Topography data were improved from USGS (United States Geological Survey) 30" to NGII (National Geographic Information Institute) 10 m. The simulated results were quantitatively compared to observations and there was a significant improvement (RMSE: 2.06 ˚C -> 1.73 ˚C) in the temperature prediction in the study area. The results will provide useful guidance of grid size selection on high resolution simulation over the mountain regions in Korea.

Europlanet Research Infrastructure: Planetary Simulation Facilities

NASA Astrophysics Data System (ADS)

Davies, G. R.; Mason, N. J.; Green, S.; Gómez, F.; Prieto, O.; Helbert, J.; Colangeli, L.; Srama, R.; Grande, M.; Merrison, J.

2008-09-01

EuroPlanet The Europlanet Research Infrastructure consortium funded under FP7 aims to provide the EU Planetary Science community greater access for to research infrastructure. A series of networking and outreach initiatives will be complimented by joint research activities and the formation of three Trans National Access distributed service laboratories (TNA's) to provide a unique and comprehensive set of analogue field sites, laboratory simulation facilities, and extraterrestrial sample analysis tools. Here we report on the infrastructure that comprises the second TNA; Planetary Simulation Facilities. 11 laboratory based facilities are able to recreate the conditions found in the atmospheres and on the surfaces of planetary systems with specific emphasis on Martian, Titan and Europa analogues. The strategy has been to offer some overlap in capabilities to ensure access to the highest number of users and to allow for progressive and efficient development strategies. For example initial testing of mobility capability prior to the step wise development within planetary atmospheres that can be made progressively more hostile through the introduction of extreme temperatures, radiation, wind and dust. Europlanet Research Infrastructure Facilties: Mars atmosphere simulation chambers at VUA and OU These relatively large chambers (up to 1 x 0.5 x 0.5 m) simulate Martian atmospheric conditions and the dual cooling options at VUA allows stabilised instrument temperatures while the remainder of the sample chamber can be varied between 220K and 350K. Researchers can therefore assess analytical protocols for instruments operating on Mars; e.g. effect of pCO2, temperature and material (e.g., ± ice) on spectroscopic and laser ablation techniques while monitoring the performance of detection technologies such as CCD at low T & variable p H2O & pCO2. Titan atmosphere and surface simulation chamber at OU The chamber simulates Titan's atmospheric composition under a range of pressures and temperatures and through provision of external UV light and or electrical discharge can be used to form the well known Titan Aerosol species, which can subsequently be analysed using one of several analytical techniques (UV-Vis, FTIR and mass spectrometry). Simulated surfaces can be produced (icy surfaces down to 15K) and subjected to a variety of light and particles (electron and ion) sources. Chemical and physical changes in the surface may be explored using remote spectroscopy. Planetary Simulation chamber for low density atmospheres INTA-CAB The planetary simulation chamber-ultra-high vacuum equipment (PSC-UHV) has been designed to study planetary surfaces and low dense atmospheres, space environments or any other hypothetic environment at UHV. Total pressure ranges from 7 mbar (Martian conditions) to 5x10-9 mbar. A residual gas analyzer regulates gas compositions to ppm precision. Temperature ranges from 4K to 325K and most operations are computer controlled. Radiation levels are simulated using a deuterium UV lamp, and ionization sources. 5 KV electron and noble-gas discharge UV allows measurement of IR and UV spectra and chemical compositions are determined by mass spectroscopy. Planetary Simulation chamber for high density planetary atmospheres at INTA-CAB The facility allows experimental study of planetary environments under high pressure, and was designed to include underground, seafloor and dense atmosphere environments. Analytical capabilities include Raman spectra, physicochemical properties of materials, e.a. thermal conductivity. P-T can be controlled as independent variables to allow monitoring of the tolerance of microorganisms and the stability of materials and their phase changes. Planetary Simulation chamber for icy surfaces at INTA-CAB This chamber is being developed to the growth of ice samples to simulate the chemical and physical properties of ices found on both planetary bodies and their moons. The goal is to allow measurement of the physical properties of ice samples formed under planetary conditions to assess how rheology varies with pressure and temperature and grain size to gain a far better understanding of how tectonics may operate on icy moons. Hot planetary surfaces simulation chamber at DLR The planetary simulation chamber is to study the behaviour of planetary analogue materials on the surface of hot (airless) bodies in the solar system. Samples can be heated up to temperatures of 500°C simulating conditions found on the surface of Mercury and Venus. This enables highly accurate thermal emission measurements using the integrated infrared spectrometer and calibrated sources. Thermal gradients can be applied to samples to simulate diurnal thermal cycles and examine thermal stresses in materials. The chamber can be placed under vacuum or purged with gas. In addition, to the high temperature chamber a number of further planetary simulation chambers are available equipped with LIBS and Raman-spectroscopy equipment. Dust analogue simulation chamber at INAF/OACN This facility produces and characterises dust analogues (arc discharge, laser ablation, grinding of minerals, ices) in a variety of simulation chambers under variable pressure (10-6 - 10-3 mbar), temperature (80 - 330 K) and gas composition. Dust and analogues are characterised by a variety of Spectroscopic (absorption, transmission, diffuse-specular reflectance) and imaging techniques (SEM) and can be subjected to thermal annealing, ion bombardment and UV irradiation. Dust accelerator facility at Max Planck Institüt Nuclear Physics, Heidelberg. This facility allows the investigation of hypervelocity dust impacts onto various materials. Dust grain materials from nano to micron sizes are accelerated using a 2 MV Vande- Graaff to velocities between 1 and 60 km/s comparable to the planetary rings of the giant gas planets and impact ejecta processes on the surface of small bodies (asteroids, comets) as well as moons and planetary surfaces. Potential phenomena for study include dust charging, dust magentosphere interactions, dust impact flashes and the possibility of obtaining compositional measurements of impact plasma plumes. Mars surface simulation Laboratory, Aberystwyth University. A Planetary Analogue Terrain Laboratory facilitates comprehensive mission operations emulation experiments designed to interpret and maximise scientific data return from robotic instruments. This facility includes Mars Soil Simulant and `science target' rocks that have been fully characterised. The terrain also has an area for sub-surface sampling. An Access Grid Node allows simulation of remote control operation and diminishes the need for direct onsite attendance. PAT Lab has a large selection of software tools for rover, robot arm and instrument modelling and simulation, and for the processing and visualisation of captured instrument data. Instrument motion is measured using a Vicon motion capture system with a resolution < 0.1 mm. Dusty wind tunnel at Aarhus University, Denmark The Aarhus wind tunnel simulates wind driven dust exposure on Mars. This allows study into analogue materials, dust/surface processes, meteorological condition and microbiological survival under Martian conditions. The multipurpose facility is used to quantify dust deposition (i.e. on optical surfaces, electrical or mechanical components) and examine the operation of instrumentation in dusty/windy environment under Martian conditions (pressure, gas composition & temperature). This includes calibration of wind flow instrumentation and dust sensors.

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

NASA Technical Reports Server (NTRS)

Good, Brian

2013-01-01

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

Subpixel edge estimation with lens aberrations compensation based on the iterative image approximation for high-precision thermal expansion measurements of solids

NASA Astrophysics Data System (ADS)

Inochkin, F. M.; Kruglov, S. K.; Bronshtein, I. G.; Kompan, T. A.; Kondratjev, S. V.; Korenev, A. S.; Pukhov, N. F.

2017-06-01

A new method for precise subpixel edge estimation is presented. The principle of the method is the iterative image approximation in 2D with subpixel accuracy until the appropriate simulated is found, matching the simulated and acquired images. A numerical image model is presented consisting of three parts: an edge model, object and background brightness distribution model, lens aberrations model including diffraction. The optimal values of model parameters are determined by means of conjugate-gradient numerical optimization of a merit function corresponding to the L2 distance between acquired and simulated images. Computationally-effective procedure for the merit function calculation along with sufficient gradient approximation is described. Subpixel-accuracy image simulation is performed in a Fourier domain with theoretically unlimited precision of edge points location. The method is capable of compensating lens aberrations and obtaining the edge information with increased resolution. Experimental method verification with digital micromirror device applied to physically simulate an object with known edge geometry is shown. Experimental results for various high-temperature materials within the temperature range of 1000°C..2400°C are presented.

A Computational Framework for Efficient Low Temperature Plasma Simulations

NASA Astrophysics Data System (ADS)

Verma, Abhishek Kumar; Venkattraman, Ayyaswamy

2016-10-01

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

Computational aspects in high intensity ultrasonic surgery planning.

PubMed

Pulkkinen, A; Hynynen, K

2010-01-01

Therapeutic ultrasound treatment planning is discussed and computational aspects regarding it are reviewed. Nonlinear ultrasound simulations were solved with a combined frequency domain Rayleigh and KZK model. Ultrasonic simulations were combined with thermal simulations and were used to compute heating of muscle tissue in vivo for four different focused ultrasound transducers. The simulations were compared with measurements and good agreement was found for large F-number transducers. However, at F# 1.9 the simulated rate of temperature rise was approximately a factor of 2 higher than the measured ones. The power levels used with the F# 1 transducer were too low to show any nonlinearity. The simulations were used to investigate the importance of nonlinarities generated in the coupling water, and also the importance of including skin in the simulations. Ignoring either of these in the model would lead to larger errors. Most notably, the nonlinearities generated in the water can enhance the focal temperature by more than 100%. The simulations also demonstrated that pulsed high power sonications may provide an opportunity to significantly (up to a factor of 3) reduce the treatment time. In conclusion, nonlinear propagation can play an important role in shaping the energy distribution during a focused ultrasound treatment and it should not be ignored in planning. However, the current simulation methods are accurate only with relatively large F-numbers and better models need to be developed for sharply focused transducers. Copyright 2009 Elsevier Ltd. All rights reserved.

Design of modular control system for grain dryers

NASA Astrophysics Data System (ADS)

He, Gaoqing; Liu, Yanhua; Zu, Yuan

In order to effectively control the temperature of grain drying bin, grain ,air outlet as well as the grain moisture, it designed the control system of 5HCY-35 which is based on MCU to adapt to all grains drying conditions, high drying efficiency, long life usage and less manually. The system includes: the control module of the constant temperature and the temperature difference control in drying bin, the constant temperature control of heating furnace, on-line testing of moisture, variety of grain-circulation speed control and human-computer interaction interface. Spatial curve simulation, which takes moisture as control objectives, controls the constant temperature and the temperature difference in drying bin according to preset parameter by the user or a list to reduce the grains explosive to ensure the seed germination percentage. The system can realize the intelligent control of high efficiency and various drying, the good scalability and the high quality.

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations.

PubMed

Morales, Miguel A; Pierleoni, Carlo; Schwegler, Eric; Ceperley, D M

2010-07-20

Using quantum simulation techniques based on either density functional theory or quantum Monte Carlo, we find clear evidence of a first-order transition in liquid hydrogen, between a low conductivity molecular state and a high conductivity atomic state. Using the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures near 2,000 K and pressures near 120 GPa. Furthermore, we have determined the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using quantum Monte Carlo energetics.

Study of iron structure stability in high temperature molten lead-bismuth eutectic with oxygen injection using molecular dynamics simulation

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

Arkundato, Artoto; Su'ud, Zaki; Sudarko

2014-09-30

Corrosion of structural materials in high temperature molten lead-bismuth eutectic is a major problem for design of PbBi cooled reactor. One technique to inhibit corrosion process is to inject oxygen into coolant. In this paper we study and focus on a way of inhibiting the corrosion of iron using molecular dynamics method. For the simulation results we concluded that effective corrosion inhibition of iron may be achieved by injection 0.0532 wt% to 0.1156 wt% oxygen into liquid lead-bismuth. At this oxygen concentration the structure of iron material will be maintained at about 70% in bcc crystal structure during interaction withmore » liquid metal.« less

Simulating Microfracture In Metal-Matrix Composites

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Embedded infrared fiber-optic sensor for thermometry in a high temperature/pressure environment

NASA Astrophysics Data System (ADS)

Yoo, Wook Jae; Jang, Kyoung Won; Moon, Jinsoo; Han, Ki-Tek; Jeon, Dayeong; Lee, Bongsoo; Park, Byung Gi

2012-11-01

In this study, we developed an embedded infrared fiber-optic temperature sensor for thermometry in high temperature/pressure and water-chemistry environments by using two identical silver-halide optical fibers. The performance of the fabricated temperature sensor was assessed in an autoclave filled with an aqueous coolant solution containing boric acid and lithium hydroxide. We carried out real-time monitoring of the infrared radiation emitted from the signal and reference probes for various temperatures over a temperature range from 95 to 225 °C. In order to decide the temperature of the synthetic coolant solution, we measured the difference between the infrared radiation emitted from the two temperature-sensing probes. Thermometry with the proposed sensor is immune to any changes in the physical conditions and the emissivity of the heat source. From the experimental results, the embedded infrared fiber-optic temperature sensor can withstand, and normally operate in a high temperature/pressure test loop system corresponding to the coolant system used for nuclear power plant simulation. We expect that the proposed sensor can be developed to accurately monitor temperatures in harsh environments.

The Sea Breeze in South-Iceland: Observations with an unmanned aircraft and numerical simulations

NASA Astrophysics Data System (ADS)

Opsanger Jonassen, Marius; Ólafsson, Haraldur; Rasol, Dubravka; Reuder, Joachim

2010-05-01

Sea breeze events, 19-20 July 2009, observed during the international field campaign MOSO, at the southcoast of Iceland, have been investigated using high resolution numerical simulations. Thanks to the use of a small unmanned aircraft system (UAS), SUMO, the wind and temperature aloft could be observed at a high resolution in both space and time. Simultaneously with the UAS operations, conventional platforms were used to obtain surface measurements. The observations show a distinct sea breeze circulation with an onset at around noon and a final decay around 19:00 UTC. At the maximum, the sea breeze layer reached a height of appr. 400 m, marked by a capping wind minimum. When compared to the flow aloft, the sea breeze layer was found to exhibit relatively low temperatures and an expected turn from an off-shore to an on-shore flow. Overall, the agreement between the observations and simulations are relatively good. The simulations suggest a horizontal extent of the circulation some 20-30 km off-shore, but only around 5 km on-shore.

Design and simulation of different multilayer solar selective coatings for solar thermal applications

NASA Astrophysics Data System (ADS)

El-Mahallawy, Nahed; Atia, Mostafa R. A.; Khaled, Amany; Shoeib, Madiha

2018-04-01

Research has adopted lately the improvement of solar collectors’ efficiency and durability by coating its surface with special selective coatings. The selectivity of any coat is governed by the ratio between the absorptivity of this coat in the UV range to its emissivity in the IR range (named selectivity). There emerged a need of using simulation software to estimate the effect of different elements and compounds on the optical properties before getting into experimental analysis. Several research has discussed the stability and durability of the coats under high temperature conditions since it was proved that the coat efficiency increases at high temperature; i.e. being more selective. This research has approached the simulation of different metal(M) / metal oxide (MOx) based tandems in order to obtain promising selective properties that can be taken into further experimental investigation. Five metals and six metal oxides were chosen based on previous literature to be simulated using OpenFilters open source software and results were analyzed. Oxides of tungsten, copper and silicon have shown superior selective results through different layering techniques than others.

Constant diurnal temperature regime alters the impact of simulated climate warming on a tropical pseudoscorpion

NASA Astrophysics Data System (ADS)

Zeh, Jeanne A.; Bonilla, Melvin M.; Su, Eleanor J.; Padua, Michael V.; Anderson, Rachel V.; Zeh, David W.

2014-01-01

Recent theory suggests that global warming may be catastrophic for tropical ectotherms. Although most studies addressing temperature effects in ectotherms utilize constant temperatures, Jensen's inequality and thermal stress considerations predict that this approach will underestimate warming effects on species experiencing daily temperature fluctuations in nature. Here, we tested this prediction in a neotropical pseudoscorpion. Nymphs were reared in control and high-temperature treatments under a constant daily temperature regime, and results compared to a companion fluctuating-temperature study. At constant temperature, pseudoscorpions outperformed their fluctuating-temperature counterparts. Individuals were larger, developed faster, and males produced more sperm, and females more embryos. The greatest impact of temperature regime involved short-term, adult exposure, with constant temperature mitigating high-temperature effects on reproductive traits. Our findings demonstrate the importance of realistic temperature regimes in climate warming studies, and suggest that exploitation of microhabitats that dampen temperature oscillations may be critical in avoiding extinction as tropical climates warm.

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

NASA Astrophysics Data System (ADS)

Liu, Zhaosen; Ian, Hou

2017-01-01

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

Validation of chemistry models employed in a particle simulation method

NASA Technical Reports Server (NTRS)

Haas, Brian L.; Mcdonald, Jeffrey D.

1991-01-01

The chemistry models employed in a statistical particle simulation method, as implemented in the Intel iPSC/860 multiprocessor computer, are validated and applied. Chemical relaxation of five-species air in these reservoirs involves 34 simultaneous dissociation, recombination, and atomic-exchange reactions. The reaction rates employed in the analytic solutions are obtained from Arrhenius experimental correlations as functions of temperature for adiabatic gas reservoirs in thermal equilibrium. Favorable agreement with the analytic solutions validates the simulation when applied to relaxation of O2 toward equilibrium in reservoirs dominated by dissociation and recombination, respectively, and when applied to relaxation of air in the temperature range 5000 to 30,000 K. A flow of O2 over a circular cylinder at high Mach number is simulated to demonstrate application of the method to multidimensional reactive flows.

Atmospheric dynamics and habitability range in Earth-like aquaplanets obliquity simulations

NASA Astrophysics Data System (ADS)

Nowajewski, Priscilla; Rojas, M.; Rojo, P.; Kimeswenger, S.

2018-05-01

We present the evolution of the atmospheric variables that affect planetary climate by increasing the obliquity by using a general circulation model (PlaSim) coupled to a slab ocean with mixed layer flux correction. We increase the obliquity between 30° and 90° in 16 aquaplanets with liquid sea surface and perform the simulation allowing the sea ice cover formation to be a consequence of its atmospheric dynamics. Insolation is maintained constant in each experiment, but changing the obliquity affects the radiation budget and the large scale circulation. Earth-like atmospheric dynamics is observed for planets with obliquity under 54°. Above this value, the latitudinal temperature gradient is reversed giving place to a new regime of jet streams, affecting the shape of Hadley and Ferrel cells and changing the position of the InterTropical Convergence Zone. As humidity and high temperatures determine Earth's habitability, we introduce the wet bulb temperature as an atmospheric index of habitability for Earth-like aquaplanets with above freezing temperatures. The aquaplanets are habitable all year round at all latitudes for values under 54°; above this value habitability decreases toward the poles due to high temperatures.

Simulation of chain of quenches on toroidal HTS-SMES taking account of thermal and electromagnetic characteristics

NASA Astrophysics Data System (ADS)

Oga, Y.; Noguchi, S.; Igarashi, H.

When a temperature rise occurs at a local area inside a coil of toroidal HTS-SMES by any reason, a temperature hotspot which results in a thermal runaway appears at the local area. Subsequently, after appearing the local normal zone in the HTS coil, the transport current of the HTS coil decrease since the resistance of HTS coil appears and the current partially flows into a parallel-connecting shunt resistance. However, if the transport current of the normal-transitioned HTS coil is hardly changed, the temperature on the hotspot would rise more and then the normal zone would spread rapidly. It may cause a serious accident due to high stored energy. Therefore, using the numerical simulation, we have investigated the behaviors of the coil current, the critical current, and the temperature in the superconducting element coils of HTS-SMES. Consequently, the temperature of the superconducting element coils rises up extremely when a large heat is generated at a certain area of one of them by any reason. Moreover, there is a possibility that the shunt resister hardly functions for protection since the coil is burned out due to high inductances and low resistance of the superconducting element coil.

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.