Growth kinetics of physical vapor transport processes: Crystal growth of the optoelectronic material mercurous chloride

NASA Technical Reports Server (NTRS)

Singh, N. B.; Duval, W. M.

1991-01-01

Physical vapor transport processes were studied for the purpose of identifying the magnitude of convective effects on the crystal growth process. The effects of convection on crystal quality were were studied by varying the aspect ratio and those thermal conditions which ultimately affect thermal convection during physical vapor transport. An important outcome of the present study was the observation that the convection growth rate increased up to a certain value and then dropped to a constant value for high aspect ratios. This indicated that a very complex transport had occurred which could not be explained by linear stability theory. Better quality crystals grown at a low Rayleigh number confirmed that improved properties are possible in convectionless environments.

The Observed Properties of Liquid Helium at the Saturated Vapor Pressure

NASA Astrophysics Data System (ADS)

Donnelly, Russell J.; Barenghi, Carlo F.

1998-11-01

The equilibrium and transport properties of liquid 4He are deduced from experimental observations at the saturated vapor pressure. In each case, the bibliography lists all known measurements. Quantities reported here include density, thermal expansion coefficient, dielectric constant, superfluid and normal fluid densities, first, second, third, and fourth sound velocities, specific heat, enthalpy, entropy, surface tension, ion mobilities, mutual friction, viscosity and kinematic viscosity, dispersion curve, structure factor, thermal conductivity, latent heat, saturated vapor pressure, thermal diffusivity and Prandtl number of helium I, and displacement length and vortex core parameter in helium II.

Evidence of a sewer vapor transport pathway at the USEPA vapor intrusion research duplex

EPA Science Inventory

The role of sewer lines as preferential pathways for vapor intrusion is poorly understood. Although the importance of sewer lines for volatile organic compound (VOC) transport has been documented at a small number of sites with vapor intrusion, sewer lines are not routinely sampl...

Evidence of a sewer vapor transport pathway at the USEPA ...

EPA Pesticide Factsheets

The role of sewer lines as preferential pathways for vapor intrusion is poorly understood. Although the importance of sewer lines for volatile organic compound (VOC) transport has been documented at a small number of sites with vapor intrusion, sewer lines are not routinely sampled during most vapor intrusion investigations. We have used a tracer study and VOC concentration measurements to evaluate the role of the combined sanitary/storm sewer line in VOC transport at the USEPA vapor intrusion research duplex in Indianapolis, Indiana. The results from the tracer study demonstrated gas migration from the sewer main line into the duplex. The migration pathway appears to be complex and may include leakage from the sewer lateral at a location below the building foundation. Vapor samples collected from the sewer line demonstrated the presence of tetrachloroethene (PCE) and chloroform in the sewer main in front of the duplex and at multiple sample locations within the sewer line upstream of the duplex. These test results combined with results from the prior multi-year study of the duplex indicate that the sewer line plays an important role in transport of VOCs from the subsurface source to the immediate vicinity of the duplex building envelope. Highlights • The sewer line is an important pathway for VOC transport at the USEPA duplex. • The importance of this pathway was not identified during prior study of the duplex. • Sewer lines should be routinely evaluated

Growth of zinc selenide crystals by physical vapor transport in microgravity

NASA Technical Reports Server (NTRS)

Rosenberger, Franz

1995-01-01

The growth of single crystals of zinc selenide was carried out by both closed ampoule physical vapor transport and effusive ampoule physical vapor transport (EAPVT). The latter technique was shown to be a much more efficient method for the seeded growth of zinc selenide, resulting in higher transport rates. Furthermore, EAPVT work on CdTe has shown that growth onto /n11/ seeds is advantageous for obtaining reduced twinning and defect densities in II-VI sphalerite materials.

Numerical Modeling of Physical Vapor Transport in Contactless Crystal Growth Geometry

NASA Technical Reports Server (NTRS)

Palosz, W.; Lowry, S.; Krishnam, A.; Przekwas, A.; Grasza, K.

1998-01-01

Growth from the vapor under conditions of limited contact with the walls of the growth ampoule is beneficial for the quality of the growing crystal due to reduced stress and contamination which may be caused by interactions with the growth container. The technique may be of a particular interest for studies on crystal growth under microgravity conditions: elimination of some factors affecting the crystal quality may make interpretation of space-conducted processes more conclusive and meaningful. For that reason, and as a part of our continuing studies on 'contactless' growth technique, we have developed a computational model of crystal growth process in such system. The theoretical model was built, and simulations were performed using the commercial computational fluid dynamics code, (CFD) ACE. The code uses an implicit finite volume formulation with a gray discrete ordinate method radiation model which accounts for the diffuse absorption and reflection of radiation throughout the furnace. The three-dimensional model computes the heat transfer through the crystal, quartz, and gas both inside and outside the ampoule, and mass transport from the source to the crystal and the sink. The heat transport mechanisms by conduction, natural convection, and radiation, and mass transport by diffusion and convection are modeled simultaneously and include the heat of the phase transition at the solid-vapor interfaces. As the thermal boundary condition, temperature profile along the walls of the furnace is used. For different thermal profiles and furnace and ampoule dimensions, the crystal growth rate and development of the crystal-vapor and source-vapor interfaces (change of the interface shape and location with time) are obtained. Super/under-saturation in the ampoule is determined and critical factors determining the 'contactless' growth conditions are identified and discussed. The relative importance of the ampoule dimensions and geometry, the furnace dimensions and its

Influence of vapor deposition on structural and charge transport properties of ethylbenzene films

DOE PAGES

Antony, Lucas W.; Jackson, Nicholas E.; Lyubimov, Ivan; ...

2017-04-14

Organic glass films formed by physical vapor deposition exhibit enhanced stability relative to those formed by conventional liquid cooling and aging techniques. Recently, experimental and computational evidence has emerged indicating that the average molecular orientation can be tuned by controlling the substrate temperature at which these “stable glasses” are grown. In this work, we present a comprehensive all-atom simulation study of ethylbenzene, a canonical stable-glass former, using a computational film formation procedure that closely mimics the vapor deposition process. Atomistic studies of experimentally formed vapor-deposited glasses have not been performed before, and this study therefore begins by verifying that themore » model and method utilized here reproduces key structural features observed experimentally. Having established agreement between several simulated and experimental macroscopic observables, simulations are used to examine the substrate temperature dependence of molecular orientation. The results indicate that ethylbenzene glasses are anisotropic, depending upon substrate temperature, and that this dependence can be understood from the orientation present at the surface of the equilibrium liquid. By treating ethylbenzene as a simple model for molecular semiconducting materials, a quantum-chemical analysis is then used to show that the vapor-deposited glasses exhibit decreased energetic disorder and increased magnitude of the mean-squared transfer integral relative to isotropic, liquid-cooled films, an effect that is attributed to the anisotropic ordering of the molecular film. Finally, these results suggest a novel structure–function simulation strategy capable of tuning the electronic properties of organic semiconducting glasses prior to experimental deposition, which could have considerable potential for organic electronic materials design.« less

Influence of vapor deposition on structural and charge transport properties of ethylbenzene films

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

Antony, Lucas W.; Jackson, Nicholas E.; Lyubimov, Ivan

Organic glass films formed by physical vapor deposition exhibit enhanced stability relative to those formed by conventional liquid cooling and aging techniques. Recently, experimental and computational evidence has emerged indicating that the average molecular orientation can be tuned by controlling the substrate temperature at which these “stable glasses” are grown. In this work, we present a comprehensive all-atom simulation study of ethylbenzene, a canonical stable-glass former, using a computational film formation procedure that closely mimics the vapor deposition process. Atomistic studies of experimentally formed vapor-deposited glasses have not been performed before, and this study therefore begins by verifying that themore » model and method utilized here reproduces key structural features observed experimentally. Having established agreement between several simulated and experimental macroscopic observables, simulations are used to examine the substrate temperature dependence of molecular orientation. The results indicate that ethylbenzene glasses are anisotropic, depending upon substrate temperature, and that this dependence can be understood from the orientation present at the surface of the equilibrium liquid. By treating ethylbenzene as a simple model for molecular semiconducting materials, a quantum-chemical analysis is then used to show that the vapor-deposited glasses exhibit decreased energetic disorder and increased magnitude of the mean-squared transfer integral relative to isotropic, liquid-cooled films, an effect that is attributed to the anisotropic ordering of the molecular film. Finally, these results suggest a novel structure–function simulation strategy capable of tuning the electronic properties of organic semiconducting glasses prior to experimental deposition, which could have considerable potential for organic electronic materials design.« less

Influence of Vapor Deposition on Structural and Charge Transport Properties of Ethylbenzene Films

PubMed Central

2017-01-01

Organic glass films formed by physical vapor deposition exhibit enhanced stability relative to those formed by conventional liquid cooling and aging techniques. Recently, experimental and computational evidence has emerged indicating that the average molecular orientation can be tuned by controlling the substrate temperature at which these “stable glasses” are grown. In this work, we present a comprehensive all-atom simulation study of ethylbenzene, a canonical stable-glass former, using a computational film formation procedure that closely mimics the vapor deposition process. Atomistic studies of experimentally formed vapor-deposited glasses have not been performed before, and this study therefore begins by verifying that the model and method utilized here reproduces key structural features observed experimentally. Having established agreement between several simulated and experimental macroscopic observables, simulations are used to examine the substrate temperature dependence of molecular orientation. The results indicate that ethylbenzene glasses are anisotropic, depending upon substrate temperature, and that this dependence can be understood from the orientation present at the surface of the equilibrium liquid. By treating ethylbenzene as a simple model for molecular semiconducting materials, a quantum-chemical analysis is then used to show that the vapor-deposited glasses exhibit decreased energetic disorder and increased magnitude of the mean-squared transfer integral relative to isotropic, liquid-cooled films, an effect that is attributed to the anisotropic ordering of the molecular film. These results suggest a novel structure–function simulation strategy capable of tuning the electronic properties of organic semiconducting glasses prior to experimental deposition, which could have considerable potential for organic electronic materials design. PMID:28573203

Experimental Studies on Mass Transport of Cadmium-Zinc Telluride by Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Palosz, W.; Szofran, F. R.; Lehoczky, S. L.

1995-01-01

Experimental studies on mass transport of ternary compound, Cd(1-x)Zn(x)Te by physical vapor transport (PVT) for source compositions up to X = 0.21 are presented. The effect of thermochemical (temperatures, vapor composition) and other factors (preparation of the source, crystal growth rate, temperature gradient) on composition and composition profiles of the grown crystals were investigated. A steep decrease in the mass flux with an increase in X(crystal) for X less than 0.1, and a difference in composition between the source and the deposited material have been observed. The composition profiles of the crystals were found to depend on the density and pretreatment of the source, and on the temperature gradient in the source zone. The homogeneity of the crystals improves at low undercoolings and/or when an appropriate excess of metal constituents is present in the vapor phase. The experimental results are in good agreement with our thermochemical model of this system.

Carbon agent chemical vapor transport growth of Ga2O3 crystal

NASA Astrophysics Data System (ADS)

Jie, Su; Tong, Liu; Jingming, Liu; Jun, Yang; Guiying, Shen; Yongbiao, Bai; Zhiyuan, Dong; Youwen, Zhao

2016-10-01

Beta-type gallium oxide (β-Ga2O3) is a new attractive material for optoelectronic devices. Different methods had been tried to grow high quality β-Ga2O3 crystals. In this work, crystal growth of Ga2O3 has been carried out by chemical vapor transport (CVT) method in a closed quartz tube using C as transport agent and sapphire wafer as seed. The CVT mass flux has been analyzed by theoretical calculations based on equilibrium thermodynamics and 1D diffusional mass transport. The crystal growth experimental results are in agreement with the theoretical predictions. Influence factors of Ga2O3 crystal growth, such as temperature distribution, amount of C as transport agent used, have also been discussed. Structural (XRD) and optical (Raman spectroscopy, photoluminescence spectrum) properties of the CVT-Ga2O3 crystal are presented. Project supported by the National Natural Science Foundation of China (Nos. 61474104, 61504131).

Mass Flux of ZnSe by Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Sha, Yi-Gao; Su, Ching-Hua; Palosz, W.; Volz, M. P.; Gillies, D. C.; Szofran, F. R.; Lehoczky, S. L.; Liu, Hao-Chieh; Brebrick, R. F.

1995-01-01

Mass fluxes of ZnSe by physical vapor transport (PVT) were measured in the temperature range of 1050 to 1160 C using an in-situ dynamic technique. The starting materials were either baked out or distilled under vacuum to obtain near-congruently subliming compositions. Using an optical absorption technique Zn and Se, were found to be the dominant vapor species. Partial pressures of Zn and Se, over the starting materials at temperatures between 960 and 1140 C were obtained by measuring the optical densities of the vapor phase at the wavelengths of 2138, 3405, 3508, 3613, and 3792 A. The amount and composition of the residual gas inside the experimental ampoules were measured after the run using a total pressure gauge. For the first time, the experimentally determined partial pressures of Zn and Se, and the amount and composition of the residual gas were used in a one-dimensional diffusion limited analysis of the mass transport rates for a PVT system. Reasonable agreement between the experimental and theoretical results was observed.

Water vapor diffusion membranes, 2

NASA Technical Reports Server (NTRS)

Holland, F. F.; Klein, E.; Smith, J. K.; Eyer, C.

1976-01-01

Transport mechanisms were investigated for the three different types of water vapor diffusion membranes. Membranes representing porous wetting and porous nonwetting structures as well as dense diffusive membrane structures were investigated for water permeation rate as a function of: (1) temperature, (2) solids composition in solution, and (3) such hydrodynamic parameters as sweep gas flow rate, solution flow rate and cell geometry. These properties were measured using nitrogen sweep gas to collect the effluent. In addition, the chemical stability to chromic acid-stabilized urine was measured for several of each type of membrane. A technology based on the mechanism of vapor transport was developed, whereby the vapor diffusion rates and relative susceptibility of membranes to fouling and failure could be projected for long-term vapor recovery trials using natural chromic acid-stabilized urine.

Water-Vapor-Mediated Close-Spaced Vapor Transport Growth of Epitaxial Gallium Indium Phosphide Films on Gallium Arsenide Substrates

DOE PAGES

Greenaway, Ann L.; Bachman, Benjamin F.; Boucher, Jason W.; ...

2018-01-12

Ga 1–xIn xP is a technologically important III–V ternary semiconductor widely utilized in commercial and record-efficiency solar cells. We report the growth of Ga 1–xIn xP by water-vapor-mediated close-spaced vapor transport. Because growth of III–V semiconductors in this system is controlled by diffusion of metal oxide species, we find that congruent transport from the mixed powder source requires complete annealing to form a single alloy phase. Growth from a fully alloyed source at water vapor concentrations of ~7000 ppm in H 2 at 850 °C affords smooth films with electron mobility of 1070 cm 2 V –1 s –1 andmore » peak internal quantum efficiency of ~90% for carrier collection in a nonaqueous photoelectrochemical test cell.« less

Water-Vapor-Mediated Close-Spaced Vapor Transport Growth of Epitaxial Gallium Indium Phosphide Films on Gallium Arsenide Substrates

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

Greenaway, Ann L.; Bachman, Benjamin F.; Boucher, Jason W.

Ga 1–xIn xP is a technologically important III–V ternary semiconductor widely utilized in commercial and record-efficiency solar cells. We report the growth of Ga 1–xIn xP by water-vapor-mediated close-spaced vapor transport. Because growth of III–V semiconductors in this system is controlled by diffusion of metal oxide species, we find that congruent transport from the mixed powder source requires complete annealing to form a single alloy phase. Growth from a fully alloyed source at water vapor concentrations of ~7000 ppm in H 2 at 850 °C affords smooth films with electron mobility of 1070 cm 2 V –1 s –1 andmore » peak internal quantum efficiency of ~90% for carrier collection in a nonaqueous photoelectrochemical test cell.« less

The competition between liquid and vapor transport in transpiring leaves.

PubMed

Rockwell, Fulton Ewing; Holbrook, N Michele; Stroock, Abraham Duncan

2014-04-01

In leaves, the transpirational flux of water exits the veins as liquid and travels toward the stomata in both the vapor and liquid phases before exiting the leaf as vapor. Yet, whether most of the evaporation occurs from the vascular bundles (perivascular), from the photosynthetic mesophyll cells, or within the vicinity of the stomatal pore (peristomatal) remains in dispute. Here, a one-dimensional model of the competition between liquid and vapor transport is developed from the perspective of nonisothermal coupled heat and water molecule transport in a composite medium of airspace and cells. An analytical solution to the model is found in terms of the energy and transpirational fluxes from the leaf surfaces and the absorbed solar energy load, leading to mathematical expressions for the proportions of evaporation accounted for by the vascular, mesophyll, and epidermal regions. The distribution of evaporation in a given leaf is predicted to be variable, changing with the local environment, and to range from dominantly perivascular to dominantly peristomatal depending on internal leaf architecture, with mesophyll evaporation a subordinate component. Using mature red oak (Quercus rubra) trees, we show that the model can be solved for a specific instance of a transpiring leaf by combining gas-exchange data, anatomical measurements, and hydraulic experiments. We also investigate the effect of radiation load on the control of transpiration, the potential for condensation on the inside of an epidermis, and the impact of vapor transport on the hydraulic efficiency of leaf tissue outside the xylem.

Modeling fission product vapor transport in the Falcon facility

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

Shepherd, I.M.; Drossinos, Y.; Benson, C.G.

1995-05-01

An extensive database of aerosol Experiments exists and has been used for checking aerosol transport codes. Data for fission product vapor transport are harder to find. Some qualitative data are available, but the Falcon thermal gradient tube tests carried out at AEA Technology`s laboratories in Winfrith, England, mark the first serious attempt to provide a set of experiments suitable for the validation of codes that predict the transport and condensation of realistic mixtures of fission product vapors. Four of these have been analyzed to check how well the computer code VICTORIA can predict the most important phenomena. Of the fourmore » experiments studied, two are reference cases (FAL-17 and FAL-19), one is a case without boric acid (FAL-18), and the other is run in a reducing atmosphere (FAL-20). The results show that once the vapors condense onto aerosols, VICTORIA can predict their deposition rather well. The dominant mechanism is thermophoresis, and each element deposits with more or less the same deposition velocity. The behavior of the vapors is harder to interpret. Essentially, it is important to know the temperature at which each element condenses. It is clear from the measurements that this temperature changed from test to test-caused mostly by the different speciation as the composition of the carrier gas and the relative concentration of other fission products changed. Only in the test with a steam atmosphere and without boric acid was the assumption valid that most of the iodine is cesium iodide and most of the cesium is cesium hydroxide. In general, VICTORIA predicts that, with the exception of cesium, there will be less variation in the speciation-and, hence, variation in the deposition-between tests than is in fact observed. VICTORIA underpredicts the volatility of most elements, and this is partly a consequence of the ideal solution assumption and partly an overestimation of vapor/aerosol interactions.« less

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport in Low Gravity

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Ramachandran, N.

2013-01-01

Crystals of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, will be grown by physical vapor transport in the Material Science Research Rack (MSRR) on International Space Station (ISS). The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

Bulk Growth of Wide Band Gap II-VI Compound Semiconductors by Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua

1997-01-01

The mechanism of physical vapor transport of II-VI semiconducting compounds was studied both theoretically, using a one-dimensional diffusion model, as well as experimentally. It was found that the vapor phase stoichiometry is critical in determining the vapor transport rate. The experimental heat treatment methods to control the vapor composition over the starting materials were investigated and the effectiveness of the heat treatments was confirmed by partial pressure measurements using an optical absorption technique. The effect of residual (foreign) gas on the transport rate was also studies theoretically by the diffusion model and confirmed experimentally by the measurements of total pressure and compositions of the residual gas. An in-situ dynamic technique for the transport rate measurements and a further extension of the technique that simultaneously measured the partial pressures and transport rates were performed and, for the first time, the experimentally determined mass fluxes were compared with those calculated, without any adjustable parameters, from the diffusion model. Using the information obtained from the experimental transport rate measurements as guideline high quality bulk crystal of wide band gap II-VI semiconductor were grown from the source materials which undergone the same heat treatment methods. The grown crystals were then extensively characterized with emphasis on the analysis of the crystalline structural defects.

Diffusive-convective physical vapor transport of PbTe from a Te-rich solid source

NASA Technical Reports Server (NTRS)

Zoutendyk, J.; Akutagawa, W.

1982-01-01

Crystal growth of PbTe by physical vapor transport (sublimation) in a closed ampoule is governed by the vapor species in thermal equilibrium with the solid compound. Deviations from stoichiometry in the source material cause diffusion limitation of the transport rate, which can be modified by natural (gravity-driven) convection. Mass-transport experiments have been performed using Te-rich material wherein sublimation rates have been measured in order to study the effects of natural convection in diffusion-limited vapor transport. Linear velocities for both crystal growth and evaporation (back sublimation) have been measured for transport in the direction of gravity, horizontally, and opposite to gravity. The experimental results are discussed in terms of both the one-dimensional diffusive-advective model and current, more sophisticated theory which includes natural convection. There is some evidence that convection effects from radial temperature gradients and solutal density gradients have been observed.

Numerical modeling of physical vapor transport under microgravity conditions: Effect of thermal creep and stress

NASA Technical Reports Server (NTRS)

Mackowski, Daniel W.; Knight, Roy W.

1993-01-01

One of the most promising applications of microgravity (micro-g) environments is the manufacture of exotic and high-quality crystals in closed cylindrical ampoules using physical vapor transport (PVT) processes. The quality enhancements are believed to be due to the absence of buoyant convection in the weightless environment - resulting in diffusion-limited transport of the vapor. In a typical experiment, solid-phase sample material is initially contained at one end of the ampoule. The sample is made to sublime into the vapor phase and deposit onto the opposite end by maintaining the source at an elevated temperature with respect to the deposit. Identification of the physical factors governing both the rates and uniformity of crystal growth, and the optimization of the micro-g technology, will require an accurate modeling of the vapor transport within the ampoule. Previous micro-g modeling efforts have approached the problem from a 'classical' convective/diffusion formulation, in which convection is driven by the action of buoyancy on thermal and solutal density differences. The general conclusion of these works have been that in low gravity environments the effect of buoyancy on vapor transport is negligible, and vapor transport occurs in a diffusion-limited mode. However, it has been recently recognized than in the non-isothermal (and often low total pressure) conditions encountered in ampoules, the commonly-assumed no-slip boundary condition to the differential equations governing fluid motion can be grossly unrepresentative of the actual situation. Specifically, the temperature gradients can give rise to thermal creep flows at the ampoule side walls. In addition, temperature gradients in the vapor itself can, through the action of thermal stress, lead to bulk fluid convection.

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Brebrick, R. F.; Dudley, M.; Ramachandran, N.; Curreri, Peter A. (Technical Monitor)

2002-01-01

The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions. The following are the research progress in the past two years. In-situ monitoring of partial pressure by optical absorption technique and visual observation of the growing crystal were performed during vapor growth of ZnSe. Low-temperature photoluminescence (PL) spectra and glow discharge mass spectroscopy (GDMS) were measured on ZnSe starting materials provided by various vendors and on bulk crystals grown from these starting materials by physical vapor transport (PVT) to study the effects of purification and contamination during crystal growth process. Optical characterization was performed on wafers sliced from the grown crystals of ZnSe, ZnTe and ZnSe(1-x),Te(x), (0

Effects of Atmospheric Conditions and the Land/Atmospheric Interface on Transport of Chemical Vapors from Subsurface Sources

NASA Astrophysics Data System (ADS)

Rice, A. K.; Smits, K. M.; Cihan, A.; Howington, S. E.; Illangasekare, T. H.

2013-12-01

Understanding the movement of chemical vapors and gas through variably saturated soil subjected to atmospheric thermal and mass flux boundary conditions at the land/atmospheric interface is important to many applications, including landmine detection, methane leakage during natural gas production from shale and CO2 leakage from deep geologic storage. New, advanced technologies exist to sense chemical signatures and gas leakage at the land/atmosphere interface, but interpretation of sensor signals remains a challenge. Chemical vapors are subject to numerous interactions while migrating through the soil environment, masking source conditions. The process governing movement of gases through porous media is often assumed to be Fickian diffusion through the air phase with minimal quantification of other processes, such as convective gas flow and temporal or spatial variation in soil moisture. Vapor migration is affected by atmospheric conditions (e.g. humidity, temperature, wind velocity), soil thermal and hydraulic properties and contaminant properties, all of which are physically and thermodynamically coupled. The complex coupling of two drastically different flow regimes in the subsurface and atmosphere is commonly ignored in modeling efforts, or simplifying assumptions are made to treat the systems as de-coupled. Experimental data under controlled laboratory settings are lacking to refine the theory for proper coupling and complex treatment of vapor migration through porous media in conversation with atmospheric flow and climate variations. Improving fundamental understanding and accurate quantification of these processes is not feasible in field settings due to lack of controlled initial and boundary conditions and inability to fully characterize the subsurface at all relevant scales. The goal of this work is to understand the influence of changes in atmospheric conditions to transport of vapors through variably saturated soil. We have developed a tank apparatus

Heat Treatments of ZnSe Starting Materials for Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Palosz, W.; Feth, S.; Lehoczky, S. L.

1998-01-01

The effect of different heat treatments on stoichiometry and residual gas pressure in ZnSe physical vapor transport system was investigated. The dependence of the amount and composition of the residual gas on various heat treatment procedures is reported. Heat treatment of ZnSe starting materials by baking under the condition of dynamic vacuum to adjust its stoichiometry was performed and the effectiveness of the treatment was confirmed by the measurements of the partial pressure of Se2, P(sub Se2), in equilibrium with the heat treated samples. Optimum heat treatment procedures on the ZnSe starting material for the physical vapor transport process are discussed and verified experimentally.

Heat Treatments of ZnSe Starting Materials for Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Palosz, W.; Feth, S.; Lehoczky, S. L.

1997-01-01

The effect of different heat treatments on stoichiometry and residual gas pressure in ZnSe physical vapor transport system was investigated. The dependence of the amount and composition of the residual gas on various heat treatment procedures is reported. Heat treatment of ZnSe starting materials by baking under the condition of dynamic vacuum to adjust its stoichiometry was performed and the effectiveness of the treatment was confirmed by the measurements of the partial pressure of Se2, P(sub Se2), in equilibrium with the heat treated samples. Optimum heat treatment procedures on the ZnSe starting material for the physical vapor transport process are discussed and verified experimentally.

Crystal growth of ZnSe and related ternary compound semiconductors by physical vapor transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua

1993-01-01

The materials to be investigated are ZnSe and related ternary semiconducting alloys (e.g., ZnS(x)Se(1-x), ZnTe(x)Se(1-x), and Zn(1-x)Cd(x)Se). These materials are useful for opto-electronic applications such as high efficient light emitting diodes and low power threshold and high temperature lasers in the blue-green region of the visible spectrum. The recent demonstration of its optical bistable properties also makes ZnSe a possible candidate material for digital optical computers. The investigation consists of an extensive ground-based study followed by flight experimentation, and involves both experimental and theoretical work. The objectives of the ground-based work are to establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low gravity environment and to obtain the experimental data and perform the analyses required to define the optimum parameters for the flight experiments. During the six months of the Preliminary Definition Phase, the research efforts were concentrated on the binary compound ZnSe - the purification of starting materials of Se by zone refining, the synthesis of ZnSe starting materials, the heat treatments of the starting materials, the vapor transport rate measurements, the vapor partial pressure measurements of ZnSe, the crystal growth of ZnSe by physical vapor transport, and various characterization on the grown ZnSe crystals.

Composites of cationic nanofibrillated cellulose and layered silicates: water vapor barrier and mechanical properties.

PubMed

Ho, Thao T T; Zimmermann, Tanja; Ohr, Steffen; Caseri, Walter R

2012-09-26

Composites of trimethylammonium-modified nanofibrillated cellulose and layered silicates (TMA-NFC/LS) were prepared by high-shear homogenization followed by pressure filtration and vacuum hot-pressing, which gave rise to particularly homogeneous dispersion of the silicate particles. Thirteen different clays and micas were employed. Water vapor barrier and mechanical properties (tensile strength, E-modulus, strain at break) of the composite films were investigated, considering the effects of layered silicate types and their concentration (in the range of 0 to 85 wt %). Good interactions between TMA-NFC and LS were obtained due to electrostatic attraction between cationic fibrils and anionic silicate layers, and even favored by high-shear homogenization process. Furthermore, oriented TMA-NFC/LS composite structure was achieved. Layered silicates exerted a pronounced influence on the water vapor barrier and mechanical properties; however, there was no common trend reflecting their types. The transport of water molecules through TMA-NFC/LS composites was studied considering both diffusion and adsorption mechanisms. As a result, diffusion pathways were proposed based on two new and one well-known models: the "native network", "covered fiber composite", and "fiber-brick composite" models. Importantly, it was found that the insertion of layered silicate particles did not improve automatically the barrier properties as indicated by the commonly used "fiber-brick composite" model. Mica R120 at a 50 wt % loading in composites with TMA-NFC matrix showed 30-fold improved water vapor permeability and 5-fold higher E-modulus compared to commercially used base paper.

Reduction of Convection in Closed Tube Vapor Transport Experiments

NASA Technical Reports Server (NTRS)

Naumann, R. J.; Tan, Sarwa Bakti; Shin, In-Seok; Kim, Joo Soo

2002-01-01

The primary objective of this effort was to develop a method for suppressing convective flows during the growth of mercurous chloride crystals by vapor transport in closed tubes to levels approaching those obtained in the microgravity environment. Mercurous chloride was chosen because it is a technologically interesting acoustical optical material whose optical properties are believed to be affected by convective flows. Since the Grashof number scales as the cube of the smallest dimension in the flow system, reduction of the size scale can be extremely effective in reducing unwanted convective flows. However, since materials of practical interest must be grown at least on the cm scale, reduction of the overall growth system is not feasible. But if the region just above the growing crystal could be restricted to a few mm, considerable reduction in flow velocity would result. By suspending an effusive barrier in the growth ampoule just above the growth interface, it should be possible to reduce the convective velocity in this vicinity to levels approaching flows in microgravity. If successful, this growth technique will offer a screening test for proposed space experiments that involve vapor transport to see if reduction of convection will result in improved material and will set a new standard against which the improvements obtained in microgravity may be judged. In addition, it may provide an improved method for preparing materials on Earth whose growth is affected adversely by convection. If the properties of this material can be improved there is a potential commercial interest from Brimrose Inc., who has agreed to fabricate and test devices from the crystals we have grown. This report describes the development of the growth facility, the purification processes developed for preparing the starting material, and the results from growth experiments with and without the effusive baffle. Mercurous chloride turned out to be a more difficult material to deal with than

Local mass and energy transports in evaporation processes from a vapor-liquid interface in a slit pore based on molecular dynamics

NASA Astrophysics Data System (ADS)

Fujiwara, K.; Shibahara, M.

2018-02-01

Molecular evaporation processes from a vapor-liquid interface formed in a slit-like pore were examined based on the classical molecular dynamics method, in order to elucidate a molecular mechanism of local mass and energy transports in a slit. The calculation system consisted of monatomic molecules and atoms which interact through the 12-6 Lennard-Jones potential. At first, a liquid was situated in a slit with a vapor-liquid interface, and instantaneous amounts of the mass and energy fluxes defined locally in the slit were obtained in two dimensions to reveal local fluctuation properties of the fluid in equilibrium states. Then, imposing a temperature gradient in the calculation system, non-equilibrium evaporation processes in the slit were investigated in details based on the local mass and energy fluxes. In this study, we focused on the fluid which is in the vicinity of the solid surface and in contact with the vapor phase. In the non-equilibrium evaporation processes, the results revealed that the local energy transport mechanism in the vicinity of the solid surface is different from that of the vapor phase, especially in the case of the relatively strong fluid-solid interaction. The results also revealed that the local mass transport in the vicinity of the solid surface can be interpreted based on the mechanism of the local energy transport, and the mechanism provides valuable information about pictures of the evaporation phenomena especially in the vicinity of the hydrophilic surfaces. It suggests that evaluating and changing this mechanism of the local energy transport are necessary to control the local mass flux more precisely in the vicinity of the solid surface.

NASA Experiment on Tropospheric-Stratospheric Water Vapor Transport in the Intertropical Convergence Zone

NASA Technical Reports Server (NTRS)

Page, William A.

1982-01-01

The following six papers report preliminary results obtained from a field experiment designed to study the role of tropical cumulo-nimbus clouds in the transfer of water vapor from the troposphere to the stratosphere over the region of Panama. The measurements were made utilizing special NOAA enhanced IR satellite images, radiosonde-ozonesondes and a NASA U-2 aircraft carrying. nine experiments. The experiments were provided by a group of NASA, NOAA, industry, and university scientists. Measurements included atmospheric humidity, air and cloud top temperatures, atmospheric tracer constituents, cloud particle characteristics and cloud morphology. The aircraft made a total of eleven flights from August 30 through September 18, 1980, from Howard Air Force Base, Panama; the pilots obtained horizontal and vertical profiles in and near convectively active regions and flew around and over cumulo-nimbus towers and through the extended anvils in the stratosphere. Cumulo-nimbus clouds in the tropics appear to play an important role in upward water vapor transport and may represent the principal source influencing the stratospheric water vapor budget. The clouds provide strong vertical circulation in the troposphere, mixing surface air and its trace materials (water vapor, CFM's sulfur compounds, etc.) quickly up to the tropopause. It is usually assumed that large scale mean motions or eddy scale motions transport the trace materials through the tropopause and into the stratosphere where they are further dispersed and react with other stratospheric constituents. The important step between the troposphere and stratosphere for water vapor appears to depend upon the processes occurring at or near the tropopause at the tops of the cumulo-nimbus towers. Several processes have been sugested: (1) The highest towers penetrate the tropopause and carry water in the form of small ice particles directly into the stratosphere. (2) Water vapor from the tops of the cumulonimbus clouds is

Development of a Computational Chemical Vapor Deposition Model: Applications to Indium Nitride and Dicyanovinylaniline

NASA Technical Reports Server (NTRS)

Cardelino, Carlos

1999-01-01

A computational chemical vapor deposition (CVD) model is presented, that couples chemical reaction mechanisms with fluid dynamic simulations for vapor deposition experiments. The chemical properties of the systems under investigation are evaluated using quantum, molecular and statistical mechanics models. The fluid dynamic computations are performed using the CFD-ACE program, which can simulate multispecies transport, heat and mass transfer, gas phase chemistry, chemistry of adsorbed species, pulsed reactant flow and variable gravity conditions. Two experimental setups are being studied, in order to fabricate films of: (a) indium nitride (InN) from the gas or surface phase reaction of trimethylindium and ammonia; and (b) 4-(1,1)dicyanovinyl-dimethylaminoaniline (DCVA) by vapor deposition. Modeling of these setups requires knowledge of three groups of properties: thermodynamic properties (heat capacity), transport properties (diffusion, viscosity, and thermal conductivity), and kinetic properties (rate constants for all possible elementary chemical reactions). These properties are evaluated using computational methods whenever experimental data is not available for the species or for the elementary reactions. The chemical vapor deposition model is applied to InN and DCVA. Several possible InN mechanisms are proposed and analyzed. The CVD model simulations of InN show that the deposition rate of InN is more efficient when pulsing chemistry is used under conditions of high pressure and microgravity. An analysis of the chemical properties of DCVA show that DCVA dimers may form under certain conditions of physical vapor transport. CVD simulations of the DCVA system suggest that deposition of the DCVA dimer may play a small role in the film and crystal growth processes.

Water Vapor Transport Over the Tropical Oceans During ENSO as Diagnosed from TRMM and SSM/I Data

NASA Technical Reports Server (NTRS)

Robertson, Franklin R.; Smith, Eric A.; Sohn, Byung-Ju

2000-01-01

Traditionally, large-scale water vapor transport [div Q] has been derived directly from circulation statistics in which transport processes are often depicted by mean and eddy motions. Thus detailed and accurate calculations of moisture transport terms over the globe are required. Notably, the lack of systematically spaced conventional measurements of meteorological variables over oceans has hindered understanding of the distribution and transport of water vapor. This motivates the use of indirect calculation methods in which horizontal divergence of water vapor is balanced by the evaporation minus precipitation, assuming the rate of changes of precipitable water and condensates is small over a sufficiently long time period. In order to obtain the water vapor transport, we need evaporation rate minus precipitation (E-P). Focussing on the differences in water vapor transport between El Nino and La Nina periods and their influences on atmospheric circulations, we study January, February, and March of 1998 and 1999 periods which represent El Nino and La Nina respectively. SSM/I-derived precipitation and evaporation rate from SSM/I wind and total precipitable water, in conjunction with NCEP SST and surface air temperature, are used for the calculation of the transport potential function. For the retrieval of evaporation we use a stability-dependent aerodynamic bulk scheme developed by Chou (1993). It was tested against aircraft covariance fluxes measured during cold air outbreaks over the North Atlantic Ocean. Chou et al. (1997) reported that the SSM/I retrieved latent heat flux over the western Pacific warm pool area were found to be comparable with daily mean fluxes of a ship measurements during TOGA/COARE.

Swelling kinetics and electrical charge transport in PEDOT:PSS thin films exposed to water vapor.

PubMed

Sarkar, Biporjoy; Jaiswal, Manu; Satapathy, Dillip K

2018-06-06

We report the swelling kinetics and evolution of the electrical charge transport in poly(3,4-ethylene dioxythiophene) polystyrene sulfonate (PEDOT:PSS) thin films subjected to water vapor. Polymer films swell by the diffusion of water vapor and are found to undergo structural relaxations. Upon exposure to water vapor, primarily the hygroscopic PSS shell, which surrounds the conducting PEDOT-rich cores, takes up water vapor and subsequently swells. We found that the degree of swelling largely depends on the PEDOT to PSS ratio. Swelling driven microscopic rearrangement of the conducting PEDOT-rich cores in the PSS matrix strongly influences the electrical charge transport of the polymer film. Swelling induced increase as well as decrease of electrical resistance are observed in polymer films having different PEDOT to PSS ratio. This anomalous charge transport behavior in PEDOT:PSS films is reconciled by taking into account the contrasting swelling behavior of the PSS and the conducting PEDOT-rich cores leading to spatial segregation of PSS in films with PSS as a minority phase and by a net increase in mean separation between conducting PEDOT-rich cores for films having abundance of PSS.

Swelling kinetics and electrical charge transport in PEDOT:PSS thin films exposed to water vapor

NASA Astrophysics Data System (ADS)

Sarkar, Biporjoy; Jaiswal, Manu; Satapathy, Dillip K.

2018-06-01

We report the swelling kinetics and evolution of the electrical charge transport in poly(3,4-ethylene dioxythiophene) polystyrene sulfonate (PEDOT:PSS) thin films subjected to water vapor. Polymer films swell by the diffusion of water vapor and are found to undergo structural relaxations. Upon exposure to water vapor, primarily the hygroscopic PSS shell, which surrounds the conducting PEDOT-rich cores, takes up water vapor and subsequently swells. We found that the degree of swelling largely depends on the PEDOT to PSS ratio. Swelling driven microscopic rearrangement of the conducting PEDOT-rich cores in the PSS matrix strongly influences the electrical charge transport of the polymer film. Swelling induced increase as well as decrease of electrical resistance are observed in polymer films having different PEDOT to PSS ratio. This anomalous charge transport behavior in PEDOT:PSS films is reconciled by taking into account the contrasting swelling behavior of the PSS and the conducting PEDOT-rich cores leading to spatial segregation of PSS in films with PSS as a minority phase and by a net increase in mean separation between conducting PEDOT-rich cores for films having abundance of PSS.

Seeded Physical Vapor Transport of Cadmium-Zinc Telluride Crystals: Growth and Characterization

NASA Technical Reports Server (NTRS)

Palosz, W.; George, M. A.; Collins, E. E.; Chen, K.-T.; Zhang, Y.; Burger, A.

1997-01-01

Crystals of Cd(1-x)Zn(x)Te with x = 0.2 and 40 g in weight were grown on monocrystalline cadmium-zinc telluride seeds by closed-ampoule physical vapor transport with or without excess (Cd + Zn) in the vapor phase. Two post-growth cool-down rates were used. The crystals were characterized using low temperature photoluminescence, atomic force microscopy, chemical etching, X-ray diffraction and electrical measurements. No formation of a second, ZnTe-rich phase was observed.

Role of Co-Vapors in Vapor Deposition Polymerization

PubMed Central

Lee, Ji Eun; Lee, Younghee; Ahn, Ki-Jin; Huh, Jinyoung; Shim, Hyeon Woo; Sampath, Gayathri; Im, Won Bin; Huh, Yang–Il; Yoon, Hyeonseok

2015-01-01

Polypyrrole (PPy)/cellulose (PPCL) composite papers were fabricated by vapor phase polymerization. Importantly, the vapor-phase deposition of PPy onto cellulose was assisted by employing different co-vapors namely methanol, ethanol, benzene, water, toluene and hexane, in addition to pyrrole. The resulting PPCL papers possessed high mechanical flexibility, large surface-to-volume ratio, and good redox properties. Their main properties were highly influenced by the nature of the co-vaporized solvent. The morphology and oxidation level of deposited PPy were tuned by employing co-vapors during the polymerization, which in turn led to change in the electrochemical properties of the PPCL papers. When methanol and ethanol were used as co-vapors, the conductivities of PPCL papers were found to have improved five times, which was likely due to the enhanced orientation of PPy chain by the polar co-vapors with high dipole moment. The specific capacitance of PPCL papers obtained using benzene, toluene, water and hexane co-vapors was higher than those of the others, which is attributed to the enlarged effective surface area of the electrode material. The results indicate that the judicious choice and combination of co-vapors in vapor-deposition polymerization (VDP) offers the possibility of tuning the morphological, electrical, and electrochemical properties of deposited conducting polymers. PMID:25673422

Ground-based research of crystal growth of II-VI compound semiconductors by physical vapor transport

NASA Technical Reports Server (NTRS)

Volz, M. P.; Gillies, D. C.; Szofran, F. R.; Lehoczky, S. L.; Su, Ching-Hua; Sha, Yi-Gao; Zhou, W.; Dudley, M.; Liu, Hao-Chieh; Brebrick, R. F.;

Enhanced vapor transport in membrane distillation via functionalized carbon nanotubes anchored into electrospun nanofibres

PubMed Central

Kyoungjin An, Alicia; Lee, Eui-Jong; Guo, Jiaxin; Jeong, Sanghyun; Lee, Jung-Gil; Ghaffour, Noreddine

2017-01-01

To ascertain membrane distillation (MD) as an emerging desalination technology to meet the global water challenge, development of membranes with ideal material properties is crucial. Functionalized carbon nanotubes (CNTs) were anchored to nanofibres of electrospun membranes. Covalent modification and fluorination of CNTs improved their dispersibility and interfacial interaction with the polymer membrane, resulting in well-aligned CNTs inside crystalline fibres with superhydrophobicity. Consideration for the chemical/physical properties of the CNT composite membranes and calculation of their theoretical fluxes revealed the mechanism of MD: CNTs facilitated the repulsive force for Knudsen and molecular diffusions, reduced the boundary-layer effect in viscous flow, and assisted surface diffusion, allowing for fast vapor transport with anti-wetting. This study shows that the role of CNTs and an optimal composite ratio can be used to reduce the gap between theoretical and experimental approaches to desalination. PMID:28134288

Enhanced vapor transport in membrane distillation via functionalized carbon nanotubes anchored into electrospun nanofibres

NASA Astrophysics Data System (ADS)

Kyoungjin An, Alicia; Lee, Eui-Jong; Guo, Jiaxin; Jeong, Sanghyun; Lee, Jung-Gil; Ghaffour, Noreddine

2017-01-01

To ascertain membrane distillation (MD) as an emerging desalination technology to meet the global water challenge, development of membranes with ideal material properties is crucial. Functionalized carbon nanotubes (CNTs) were anchored to nanofibres of electrospun membranes. Covalent modification and fluorination of CNTs improved their dispersibility and interfacial interaction with the polymer membrane, resulting in well-aligned CNTs inside crystalline fibres with superhydrophobicity. Consideration for the chemical/physical properties of the CNT composite membranes and calculation of their theoretical fluxes revealed the mechanism of MD: CNTs facilitated the repulsive force for Knudsen and molecular diffusions, reduced the boundary-layer effect in viscous flow, and assisted surface diffusion, allowing for fast vapor transport with anti-wetting. This study shows that the role of CNTs and an optimal composite ratio can be used to reduce the gap between theoretical and experimental approaches to desalination.

AgGaSe2 thin films grown by chemical close-spaced vapor transport for photovoltaic applications: structural, compositional and optical properties.

PubMed

Merschjann, C; Mews, M; Mete, T; Karkatzinou, A; Rusu, M; Korzun, B V; Schorr, S; Schubert-Bischoff, P; Seeger, S; Schedel-Niedrig, Th; Lux-Steiner, M-Ch

2012-05-02

Thin films of chalcopyrite AgGaSe(2) have been successfully grown on glass and glass/molybdenum substrates using the technique of chemical close-spaced vapor transport. The high crystallinity of the samples is confirmed by grazing-incidence x-ray diffraction, scanning and transmission electron microscopy, and optical transmission/reflection spectroscopy. Here, two of the three expected direct optical bandgaps are found at 1.77(2) and 1.88(6) eV at 300 K. The lowest bandgap energy at 4 K is estimated to be 1.82(3) eV. Photoluminescence spectroscopy has further revealed the nature of the point defects within the AgGaSe(2), showing evidence for the existence of very shallow acceptor levels of 5(1) and 10(1) meV, and thus suggesting the AgGaSe(2) phase itself to exhibit a p-type conductivity. At the same time, electrical characterization by Hall, Seebeck and four-point-probe measurements indicate properties of a compensated semiconductor. The electrical properties of the investigated thin films are mainly influenced by the presence of Ag(2)Se and Ga(2)O(3) nanometer-scaled surface layers, as well as by Ag(2)Se inclusions in the bulk and Ag clusters at the layers' rear side. © 2012 IOP Publishing Ltd

The Competition between Liquid and Vapor Transport in Transpiring Leaves1[W][OPEN

PubMed Central

Rockwell, Fulton Ewing; Holbrook, N. Michele; Stroock, Abraham Duncan

2014-01-01

In leaves, the transpirational flux of water exits the veins as liquid and travels toward the stomata in both the vapor and liquid phases before exiting the leaf as vapor. Yet, whether most of the evaporation occurs from the vascular bundles (perivascular), from the photosynthetic mesophyll cells, or within the vicinity of the stomatal pore (peristomatal) remains in dispute. Here, a one-dimensional model of the competition between liquid and vapor transport is developed from the perspective of nonisothermal coupled heat and water molecule transport in a composite medium of airspace and cells. An analytical solution to the model is found in terms of the energy and transpirational fluxes from the leaf surfaces and the absorbed solar energy load, leading to mathematical expressions for the proportions of evaporation accounted for by the vascular, mesophyll, and epidermal regions. The distribution of evaporation in a given leaf is predicted to be variable, changing with the local environment, and to range from dominantly perivascular to dominantly peristomatal depending on internal leaf architecture, with mesophyll evaporation a subordinate component. Using mature red oak (Quercus rubra) trees, we show that the model can be solved for a specific instance of a transpiring leaf by combining gas-exchange data, anatomical measurements, and hydraulic experiments. We also investigate the effect of radiation load on the control of transpiration, the potential for condensation on the inside of an epidermis, and the impact of vapor transport on the hydraulic efficiency of leaf tissue outside the xylem. PMID:24572172

The comparative analysis of pre-flood season precipitation and water vapor transportation over guangdong before and after “Hiatus”

NASA Astrophysics Data System (ADS)

Fan, Lingli

2018-02-01

Relation between pre-flood season precipitation and water vapor transport in Guangdong was analysed by using the monthly observed precipitation data, reanalysis data of ERA, NCEP/NCAR, and OAFlux during 1979-2015, and the differences between before/after global warming “hiatus” were studied. Results showed that, after “hiatus”, during the pre-flood season, skin-temperature, evaporation, and the absolute humidity over the ocean near to Southern China was decreasing, and over land was increasing. So, the water cycle over the ocean had slowed down and over land had speed up. The absolute humidity difference between the ocean and the land was reduced. However, at the same time, the total wind speed in Southern China had decreased. So, the water vapor transport from the ocean to the land had reduced. The Eastern Guangdong had an anomalous convergence of meridional water vapor transport, led to increased precipitation; but in Western Guangdong, there was no meridional water vapor transport, so precipitation had a decrease.

Thermodynamic and structure-property study of liquid-vapor equilibrium for aroma compounds.

PubMed

Tromelin, Anne; Andriot, Isabelle; Kopjar, Mirela; Guichard, Elisabeth

2010-04-14

Thermodynamic parameters (T, DeltaH degrees , DeltaS degrees , K) were collected from the literature and/or calculated for five esters, four ketones, two aldehydes, and three alcohols, pure compounds and compounds in aqueous solution. Examination of correlations between these parameters and the range values of DeltaH degrees and DeltaS degrees puts forward the key roles of enthalpy for vaporization of pure compounds and of entropy in liquid-vapor equilibrium of compounds in aqueous solution. A structure-property relationship (SPR) study was performed using molecular descriptors on aroma compounds to better understand their vaporization behavior. In addition to the role of polarity for vapor-liquid equilibrium of compounds in aqueous solution, the structure-property study points out the role of chain length and branching, illustrated by the correlation between the connectivity index CHI-V-1 and the difference between T and log K for vaporization of pure compounds and compounds in aqueous solution. Moreover, examination of the esters' enthalpy values allowed a probable conformation adopted by ethyl octanoate in aqueous solution to be proposed.

Total Water Vapor Transport Observed in Twelve Atmospheric Rivers over the Northeastern Pacific Ocean Using Dropsondes

NASA Astrophysics Data System (ADS)

Ralph, F. M.; Iacobellis, S.; Neiman, P. J.; Cordeira, J. M.; Spackman, J. R.; Waliser, D. E.; Wick, G. A.; White, A. B.; Fairall, C. W.

2014-12-01

Demory et al (2013) recently showed that the global water cycle in climate models, including the magnitude of water vapor transport, is strongly influenced by the model's spatial resolution. The lack of offshore observations is noted as a serious limitation in determining the correct amount of transport. Due to the key role of atmospheric rivers (ARs) in determining the global distribution of water vapor, quantifying transport from ARs is a high priority. This forms a foundation of the CalWater-2 experiment aimed at sampling many ARs during 2014-2018. In February 2014, an "early-start" deployment of the NOAA G-IV research aircraft sampled 10 ARs over the northeast Pacific Ocean. On six of these flights, dropsondes were deployed in a line crossing the AR so as to robustly sample the total water vapor transport (TVT). The TVT is defined here as the sum of the vertically integrated horizontal water vapor transport (IVT) in the AR using a baseline that stretches from its warm southern (or eastern) edge to its cool northern (or western) edge. TVT includes both AR-parallel and AR-perpendicular transport. These data double the overall number of such cross-AR airborne samples suitable for calculating TVT. Analysis of TVT for these six new samples, in combination with the six previous samples from the preceding 16 years (from CalJet, WISPAR, and a Hawaii-based campaign), will be shown. A comparison will be made of the AR width and TVT determined using the well-established integrated water vapor (IWV) threshold of 2 cm, versus an IVT threshold of 250 kg m-1 s-1. Finally, the data from a well sampled case on 13 February 2014 (23 sondes with 75-100 km spacing) will be used to assess the sensitivity of TVT to dropsonde horizontal spacing and vertical resolution. This sensitivity analysis is of practical importance for the upcoming CalWater-2 field campaign where the G-IV will be used to sample many additional AR events, due to the relatively high cost of the dropsondes.

Transport of Carbon Tetrachloride in a Fractured Vadose Zone due to Atmospheric Pressure Fluctuations, Diffusion, and Vapor Density

NASA Astrophysics Data System (ADS)

McCray, J. E.; Downs, W.; Falta, R. W.; Housley, T.

2005-12-01

DNAPL sources of carbon tetrachloride (CT) vapors are of interest at the Radioactive Waste Management Complex (RWMC) at the Idaho National Engineering and Environmental Laboratory (INEEL). The site is underlain by thick fractured basalt that includes sedimentary interbeds, each are a few meters thick. Daily atmospheric pressure fluctuations serve as driving forces for CT vapor transport in the subsurface. Other important transport processes for vapor movement include gas-phase diffusion and density-driven transport. The objective of this research is to investigate the influence and relative importance of these processes on gaseous transport of CT. Gas pressure and vapor concentration measurements were conducted at various depths in two wells. A numerical multiphase flow model (TOUGH2), calibrated to field pressure data, is used to conduct sensitivity analyses to elucidate the importance of the different transport mechanisms. Results show that the basalt is highly permeable to vertical air flow. The pressure dampening occurs mainly in the sedimentary interbeds. Model-calibrated permeability values for the interbeds are similar to those obtained in a study by the U.S. Geological Survey for shallow sediments, and an order of magnitude higher than column-scale values obtained by previous studies conducted by INEEL scientists. The transport simulations indicate that considering the effect of barometric pressure changes is critical to simulating transport of pollutants in the vadose zone above the DNAPL source. Predicted concentrations can be orders of magnitude smaller than actual concentrations if the effect is not considered. Below the DNAPL vapor source, accounting for density and diffusion alone would yield acceptable results provided that a 20% error in concentrations are acceptable, and that simulating concentrations trends (and not actual concentrations) is the primary goal.

Water injection into vapor- and liquid-dominated reservoirs: Modeling of heat transfer and mass transport

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

Pruess, K.; Oldenburg, C.; Moridis, G.

1997-12-31

This paper summarizes recent advances in methods for simulating water and tracer injection, and presents illustrative applications to liquid- and vapor-dominated geothermal reservoirs. High-resolution simulations of water injection into heterogeneous, vertical fractures in superheated vapor zones were performed. Injected water was found to move in dendritic patterns, and to experience stronger lateral flow effects than predicted from homogeneous medium models. Higher-order differencing methods were applied to modeling water and tracer injection into liquid-dominated systems. Conventional upstream weighting techniques were shown to be adequate for predicting the migration of thermal fronts, while higher-order methods give far better accuracy for tracer transport.more » A new fluid property module for the TOUGH2 simulator is described which allows a more accurate description of geofluids, and includes mineral dissolution and precipitation effects with associated porosity and permeability change. Comparisons between numerical simulation predictions and data for laboratory and field injection experiments are summarized. Enhanced simulation capabilities include a new linear solver package for TOUGH2, and inverse modeling techniques for automatic history matching and optimization.« less

Prediction of enthalpy and standard Gibbs energy of vaporization of haloaromatics from atomic properties.

PubMed

Monte, M J S; Almeida, A R R P; Liebman, J F

2015-11-01

Halogenated benzenes form a class of pollutants with a huge number of members - 1504 distinct benzene compounds, where one or more hydrogen atoms are replaced by halogens, may exist theoretically. This study presents a user friendly method for accurate prediction of vapor pressures and enthalpies of vaporization, at 298.15 K, of any mono or poly halobenzene compound. The derived equations for the prediction of those vaporization properties depend just on the number of each constituent halogen atom. This is a consequence of the absence of intramolecular interactions between the halogen atoms, revealed after examining vaporization results of ca. 40 halogenated benzenes. In order to rationalize the estimation equations, the contribution of the halogen atoms for the referred to above properties of vaporization was decomposed into two atomic properties - the volume and electron affinity. Extension of the applicability of the estimation method to substituted benzenes containing other substituent groups beyond halogen atoms as well as to some polycyclic aromatic species was tested with success. Copyright © 2015 Elsevier Ltd. All rights reserved.

Sensing properties of monolayer borophane nanosheet towards alcohol vapors: A first-principles study.

PubMed

Nagarajan, V; Chandiramouli, R

2017-05-01

The electronic properties of borophane nanosheet and adsorption behavior of three distinct alcohol vapors namely methanol, ethanol and 1-propanol on borophane nanosheet is studied using density functional theory method for the first time. The state-of-the-art provides insights on to the development of new two dimensional materials with the surface passivation on boron nanostructures. The density of states spectrum provides a clear perception on charge transfer upon adsorption of alcohol vapors on borophane nanosheets. The monolayer of borophane band gap widens upon adsorption of alcohol vapors, which can be used for the detection for volatile organic vapors. The adsorption properties of alcohol vapors on borophane base material are analyzed in terms of natural bond orbital, average energy gap variation, adsorption energy and energy gap. The most suitable adsorption sites of methanol, ethanol and 1-propanol molecules on borophane nanosheet are investigated in atomistic level. The adsorption of alcohol molecules on borophane nanosheet is found to be more favorable. The findings suggest that the monolayer borophane nanosheet can be utilized to detect the presence of alcohol vapors in the atmosphere. Copyright © 2017 Elsevier Inc. All rights reserved.

Chemical vapor transport of layer structured crystal β-ZrNCl

NASA Astrophysics Data System (ADS)

Ohashi, M.; Yamanaka, S.; Hattori, M.

1988-12-01

A layer structured compound β-ZrNCl is transported to a higher temperature zone with the aid of ammonium chloride as the transporting agent in the temperature range of 823-1173 K. The transport mechanism can be explained by the formation of a volatile compound (NH 4) 2ZrCl 6: β- ZrNCl+5 NH4Cl→( NH4) 2ZrCl6+4 NH3. The measurements of the vapor pressure and the mass spectrum revealed that (NH 4) 2ZrCl 6 decomposed congruently according to the equation: ( NH4) 2ZrCl6( s)→ ZrCl4( g)+2 NH3( g)+2 HCl( g) The enthalpy change for the decomposition was determined to be 533 kJ/mol. By combining the above two equations, a simplified transport equation is derived: β- ZrNCl( s)+3 HCl( g)⇌ ZrCl4( g+ NH3( g) .

Carbon Nanotube- and Carbon Fiber-Reinforcement of Ethylene-Octene Copolymer Membranes for Gas and Vapor Separation

PubMed Central

Sedláková, Zuzana; Clarizia, Gabriele; Bernardo, Paola; Jansen, Johannes Carolus; Slobodian, Petr; Svoboda, Petr; Kárászová, Magda; Friess, Karel; Izak, Pavel

2014-01-01

Gas and vapor transport properties were studied in mixed matrix membranes containing elastomeric ethylene-octene copolymer (EOC or poly(ethylene-co-octene)) with three types of carbon fillers: virgin or oxidized multi-walled carbon nanotubes (CNTs) and carbon fibers (CFs). Helium, hydrogen, nitrogen, oxygen, methane, and carbon dioxide were used for gas permeation rate measurements. Vapor transport properties were studied for the aliphatic hydrocarbon (hexane), aromatic compound (toluene), alcohol (ethanol), as well as water for the representative samples. The mechanical properties and homogeneity of samples was checked by stress-strain tests. The addition of virgin CNTs and CFs improve mechanical properties. Gas permeability of EOC lies between that of the more permeable PDMS and the less permeable semi-crystalline polyethylene and polypropylene. Organic vapors are more permeable than permanent gases in the composite membranes, with toluene and hexane permeabilities being about two orders of magnitude higher than permanent gas permeability. The results of the carbon-filled membranes offer perspectives for application in gas/vapor separation with improved mechanical resistance. PMID:24957119

Computer programs for thermodynamic and transport properties of hydrogen (tabcode-II)

NASA Technical Reports Server (NTRS)

Roder, H. M.; Mccarty, R. D.; Hall, W. J.

1972-01-01

The thermodynamic and transport properties of para and equilibrium hydrogen have been programmed into a series of computer routines. Input variables are the pair's pressure-temperature and pressure-enthalpy. The programs cover the range from 1 to 5000 psia with temperatures from the triple point to 6000 R or enthalpies from minus 130 BTU/lb to 25,000 BTU/lb. Output variables are enthalpy or temperature, density, entropy, thermal conductivity, viscosity, at constant volume, the heat capacity ratio, and a heat transfer parameter. Property values on the liquid and vapor boundaries are conveniently obtained through two small routines. The programs achieve high speed by using linear interpolation in a grid of precomputed points which define the surface of the property returned.

What is the role of laminar cirrus cloud on regulating the cross-tropopause water vapor transport?

NASA Astrophysics Data System (ADS)

Wu, D. L.; Gong, J.; Tsai, V.

2016-12-01

Laminar cirrus is an extremely thin ice cloud found persistently inhabit in the tropical and subtropical tropopause. Due to its sub-visible optical depth and high formation altitude, knowledge about the characteristics of this special type of cloud is very limited, and debates are ongoing about its role on regulating the cross-tropopause transport of water vapor. The Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) onboard the CALIPSO satellite has been continuously providing us with unprecedented details of the laminar cirrus since its launch in 2006. In this research, we adapted Winker and Trepte (1998)'s eyeball detection method. A JAVA-based applet and graphical user interface (GUI) is developed to manually select the laminar, which then automatically record the cloud properties, such as spatial location, shape, thickness, tilt angle, and whether its isolated or directly above a deep convective cloud. Monthly statistics of the laminar cirrus are then separately analyzed according to the orbit node, isolated/convective, banded/non-banded, etc. Monthly statistics support a diurnal difference in the occurring frequency and formation height of the laminar cirrus. Also, isolated and convective laminars show diverse behaviors (height, location, distribution, etc.), which strongly implies that their formation mechanisms and their roles on depleting the upper troposphere water vapor are distinct. We further study the relationship between laminar characteristics and collocated and coincident water vapor gradient measurements from Aura Microwave Limb Sounder (MLS) observations below and above the laminars. The identified relationship provides a quantitative answer to the role laminar cirrus plays on regulating the water vapor entering the stratosphere.

The Water Vapor Source and Transport Characteristic of Rainy Seasons in Eastern China Base on Lagrangian Method

NASA Astrophysics Data System (ADS)

Shi, Y.; Jiang, Z.; Liu, Z.; Li, L.

2017-12-01

The Hybrid Single-Particle Lagrangian Integrated Trajectory platform is employed in this studyto simulate trajectories of air parcels in the different rainy seasons in East China from 1961 to 2010,with the purpose of investigating general and specific characteristics of moisture sources and the eventual relationship withprecipitation in each rainy season.The moisture transport andsource-sink characteristics of different rainy seasons have evident differences. The results show that the frontal pre-rainy season is mainly influenced bywinter monsoon system, and the precipitation is strongly affected by water vapor from Pacific Ocean (PO) and East China (EC). Afterthe onset of South China Sea Summer Monsoon (SCSMS), the moisture from Pacific Ocean decreases and from Indian Ocean monsoon area increases. Afterwards, with the northward of the rain belt, the parcels from Southwest region (South China Sea (SCS), Indian Ocean (IO) andIndo-China Peninsula and Indian Peninsula(IP)) decrease and from North region (EC, Eurasia (EA) and PO) increase. Besides, most of the land areas are water vapor sink region and most of sea areas are water vapor source region. Before the onset of SCSMS, EC and PO are two main water vapor source areas.After the onset of SCSMS, the source from PO decreasesand Indian monsoon area becomes the main vapor source region. IP is the main water vapor sink area for all four rainy seasons.As for moisture circulation characteristics, the results of vertical structure of water vapor transport indicate that the maximum water vapor transport in west and east boundaries is located in mid-troposphere and in south and north boundaries is at low-troposphere. The spatiotemporal analysis of moisture trajectory based onmultivariate empirical orthogonal function (MVEOF) indicates that the first mode has close relationship with the precipitation in North China and PDO pattern; the second mode is closely related with the precipitation in Yangtze-Huaihe river basin and

Vapor Transport Through Fractures and Other High-Permeability Paths: Its Role in the Drift Scale Test at Yucca Mountain, Nevada

NASA Astrophysics Data System (ADS)

Mukhopadhyay, S.; Tsang, Y. W.

2001-12-01

Heating unsaturated fractured tuff sets off a series of complicated thermal-hydrological (TH) processes, which result in large-scale redistribution of moisture in the host rock. Moisture redistribution arises from boiling of water near heat sources, transport of vapor away from those heat sources, condensation of that vapor in cooler rock, and subsequent gravity drainage of condensate through fractures. Vapor transport through high-permeability paths, which include both the fractures in the rock and other conduits, contributes to the evolution of these TH processes in two ways. First, the highly permeable natural fractures provide easy passage for vapor away from the heat sources. Second, these fractures and other highly permeable conduits allow vapor (and the associated energy) to escape the rock through open boundaries of the test domain. The overall impact of vapor transport on the evolution of the TH processes can be more easily understood in the context of the Drift Scale Test (DST), the largest ever in situ heater test in unsaturated fractured tuff. The DST, in which a large volume of rock has been heated for four years now, is located in the middle nonlithophysal (Tptpmn) stratigraphic unit of Yucca Mountain, Nevada. The fractured tuff in Tptpmn contains many well-connected fractures. In the DST, heating is provided by nine cannister heaters placed in a five-meter-diameter Heated Drift (HD) and fifty wing heaters installed orthogonal to the axis of the HD. The test has many instrumentation boreholes, some of which are not sealed by packers or grout and may provide passage for vapor and energy. Of these conduits, the boreholes housing the wing heaters are most important for vapor transport because of their proximity to heat sources. While part of the vapor generated by heating moves away from the heat sources through the fractures and condenses elsewhere in the rock, the rest of the vapor, under gas-pressure difference, enters the HD by way of the high

Impact of freeze-drying, mixing and horizontal transport on water vapor in the upper troposphere and lower stratosphere (UTLS)

NASA Astrophysics Data System (ADS)

Poshyvailo, Liubov; Ploeger, Felix; Müller, Rolf; Tao, Mengchu; Konopka, Paul; Abdoulaye Diallo, Mohamadou; Grooß, Jens-Uwe; Günther, Gebhard; Riese, Martin

2017-04-01

Water vapor in the upper troposphere and lower stratosphere (UTLS) is a key player in the global radiation budget. Therefore, a realistic representation of the water vapor distribution in this region and the involved control processes is critical for climate models, but largely uncertain hitherto. It is known that the extremely low temperatures around the tropical tropopause cause the dominant factor controlling water vapor in the lower stratosphere. Here, we focus on additional processes, such as horizontal transport between tropics and extratropics, small-scale mixing, and freeze-drying. We assess the sensitivities of simulated water vapor in the UTLS from simulations with the Chemical Lagrangian Model of the Stratosphere (CLaMS). CLaMS is a Lagrangian transport model, with a parameterization of small-scale mixing (model diffusion) which is coupled to deformations in the large-scale flow. First, to assess the robustness of water vapor with respect to the meteorological datasets we examine CLaMS driven by ECMWF ERA-Interim and the Japanese 55-year reanalysis. Second, to investigate the effects of small-scale mixing we vary the parameterized mixing strength in the CLaMS model between the reference case with the mixing strength optimized to reproduce atmospheric trace gas observations and a purely advective simulation with parameterized mixing turned off. Also calculation of Lagrangian cold points gives further insight of the processes involved. Third, to assess the effects of horizontal transport between the tropics and extratropics we carry out sensitivity simulations with horizontal transport barriers along latitude circles at the equator, 15°N/S and 35°N/S. Finally, the impact of Antarctic dehydration is estimated from additional sensitivity simulations with switched off freeze-drying in the model at high latitudes of 50°N/S. Our results show that the uncertainty in the tropical tropopause temperatures between current reanalysis datasets causes significant

Investigation of Thermal Creep and Thermal Stress Effects in Microgravity Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Mackowski, D. W. (Principal Investigator); Knight, R. W. (Principal Investigator)

1996-01-01

Reported here are the results of our numerical investigation into the mechanisms which affect the transport and growth processes in physical vapor transport (PVT) crystal growth ampoules. The first part of the report consists of a brief summary of the major accomplishments and conclusions of our work. The second part consists of two manuscripts, submitted to the Journal of Crystal Growth, which provided a detailed description of the findings in our investigation.

Short circuit of water vapor and polluted air to the global stratosphere by convective transport over the Tibetan Plateau

PubMed Central

Fu, Rong; Hu, Yuanlong; Wright, Jonathon S.; Jiang, Jonathan H.; Dickinson, Robert E.; Chen, Mingxuan; Filipiak, Mark; Read, William G.; Waters, Joe W.; Wu, Dong L.

2006-01-01

During boreal summer, much of the water vapor and CO entering the global tropical stratosphere is transported over the Asian monsoon/Tibetan Plateau (TP) region. Studies have suggested that most of this transport is carried out either by tropical convection over the South Asian monsoon region or by extratropical convection over southern China. By using measurements from the newly available National Aeronautics and Space Administration Aura Microwave Limb Sounder, along with observations from the Aqua and Tropical Rainfall-Measuring Mission satellites, we establish that the TP provides the main pathway for cross-tropopause transport in this region. Tropospheric moist convection driven by elevated surface heating over the TP is deeper and detrains more water vapor, CO, and ice at the tropopause than over the monsoon area. Warmer tropopause temperatures and slower-falling, smaller cirrus cloud particles in less saturated ambient air at the tropopause also allow more water vapor to travel into the lower stratosphere over the TP, effectively short-circuiting the slower ascent of water vapor across the cold tropical tropopause over the monsoon area. Air that is high in water vapor and CO over the Asian monsoon/TP region enters the lower stratosphere primarily over the TP, and it is then transported toward the Asian monsoon area and disperses into the large-scale upward motion of the global stratospheric circulation. Thus, hydration of the global stratosphere could be especially sensitive to changes of convection over the TP. PMID:16585523

Crystal Growth of ZnSe by Physical Vapor Transport: A Modeling Study

NASA Technical Reports Server (NTRS)

Ramachandran, Narayanan; Su, Ching-Hua

1998-01-01

Crystal growth from the vapor phase has various advantages over melt growth. The main advantage is from a lower processing temperature which makes the process more amenable in instances where the melting temperature of the crystal is high. Other benefits stem from the inherent purification mechanism in the process due to differences in the vapor pressures of the native elements and impurities, and the enhanced interfacial morphological stability during the growth process. Further, the implementation of Physical Vapor Transport (PVT) growth in closed ampoules affords experimental simplicity with minimal needs for complex process control which makes it an ideal candidate for space investigations in systems where gravity tends to have undesirable effects on the growth process. Bulk growth of wide band gap II-VI semiconductors by physical vapor transport has been developed and refined over the past several years at NASA MSFC. Results from a modeling study of PVT crystal growth of ZnSe arc reported in this paper. The PVI process is numerically investigated using both two-dimensional and fully three-dimensional formulation of the governing equations and associated boundary conditions. Both the incompressible Boussinesq approximation and the compressible model are tested to determine the influence of gravity on the process and to discern the differences between the two approaches. The influence of a residual gas is included in the models. The preliminary results show that both the incompressible and compressible approximations provide comparable results and the presence of a residual gas tends to measurably reduce the mass flux in the system. Detailed flow, thermal and concentration profiles will be provided in the final manuscript along with computed heat and mass transfer rates. Comparisons with the 1-D model will also be provided.

Experimental Study of the Low Supersaturation Nucleation in Crystal Growth by Contactless Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Grasza, K.; Palosz, W.; Trivedi, S. B.

1998-01-01

The process of the development of the nuclei and of subsequent seeding in 'contactless' physical vapor transport is investigated experimentally. Consecutive stages of the Low Supersaturation Nucleation in 'contactless' geometry for growth of CdTe crystals from the vapor are shown. The effects of the temperature field, geometry of the system, and experimental procedures on the process are presented and discussed. The experimental results are found to be consistent with our earlier numerical modeling results.

Flood Runoff in Relation to Water Vapor Transport by Atmospheric Rivers Over the Western United States, 1949-2015

NASA Astrophysics Data System (ADS)

Konrad, Christopher P.; Dettinger, Michael D.

2017-11-01

Atmospheric rivers (ARs) have a significant role in generating floods across the western United States. We analyze daily streamflow for water years 1949 to 2015 from 5,477 gages in relation to water vapor transport by ARs using a 6 h chronology resolved to 2.5° latitude and longitude. The probability that an AR will generate 50 mm/d of runoff in a river on the Pacific Coast increases from 12% when daily mean water vapor transport, DVT, is greater than 300 kg m-1 s-1 to 54% when DVT > 600 kg m-1 s-1. Extreme runoff, represented by the 99th quantile of daily values, doubles from 80 mm/d at DVT = 300 kg m-1 s-1 to 160 mm/d at DVT = 500 kg m-1 s-1. Forecasts and predictions of water vapor transport by atmospheric rivers can support flood risk assessment and estimates of future flood frequencies and magnitude in the western United States.

Energy and water vapor transport across a simplified cloud-clear air interface

NASA Astrophysics Data System (ADS)

Gallana, L.; Di Savino, S.; De Santi, F.; Iovieno, M.; Tordella, D.

2014-11-01

We consider a simplified physics of the could interface where condensation, evaporation and radiation are neglected and momentum, thermal energy and water vapor transport is represented in terms of the Boussinesq model coupled to a passive scalar transport equation for the vapor. The interface is modeled as a layer separating two isotropic turbulent regions with different kinetic energy and vapor concentration. In particular, we focus on the small scale part of the inertial range of the atmospheric boundary layer as well as on the dissipative range of scales which are important to the micro-physics of warm clouds. We have numerically investigated stably stratified interfaces by locally perturbing at an initial instant the standard temperature lapse rate at the cloud interface and then observing the temporal evolution of the system. When the buoyancy term becomes of the same order of the inertial one, we observe a spatial redistribution of the kinetic energy which produce a concomitant pit of kinetic energy within the mixing layer. In this situation, the mixing layer contains two interfacial regions with opposite kinetic energy gradient, which in turn produces two intermittent sublayers in the velocity fluctuations field. This changes the structure of the field with respect to the corresponding non-stratified shearless mixing: the communication between the two turbulent region is weak, and the growth of the mixing layer stops. These results are discussed with respect to Large Eddy Simulations data for the Planetary Boundary Layers.

Evidence of thermal transport anisotropy in stable glasses of vapor deposited organic molecules

NASA Astrophysics Data System (ADS)

Ràfols-Ribé, Joan; Dettori, Riccardo; Ferrando-Villalba, Pablo; Gonzalez-Silveira, Marta; Abad, Llibertat; Lopeandía, Aitor F.; Colombo, Luciano; Rodríguez-Viejo, Javier

2018-03-01

Vapor deposited organic glasses are currently in use in many optoelectronic devices. Their operation temperature is limited by the glass transition temperature of the organic layers and thermal management strategies become increasingly important to improve the lifetime of the device. Here we report the unusual finding that molecular orientation heavily influences heat flow propagation in glassy films of small molecule organic semiconductors. The thermal conductivity of vapor deposited thin-film semiconductor glasses is anisotropic and controlled by the deposition temperature. We compare our data with extensive molecular dynamics simulations to disentangle the role of density and molecular orientation on heat propagation. Simulations do support the view that thermal transport along the backbone of the organic molecule is strongly preferred with respect to the perpendicular direction. This is due to the anisotropy of the molecular interaction strength that limits the transport of atomic vibrations. This approach could be used in future developments to implement small molecule glassy films in thermoelectric or other organic electronic devices.

Quantitative structure-property relationships for prediction of boiling point, vapor pressure, and melting point.

PubMed

Dearden, John C

2003-08-01

Boiling point, vapor pressure, and melting point are important physicochemical properties in the modeling of the distribution and fate of chemicals in the environment. However, such data often are not available, and therefore must be estimated. Over the years, many attempts have been made to calculate boiling points, vapor pressures, and melting points by using quantitative structure-property relationships, and this review examines and discusses the work published in this area, and concentrates particularly on recent studies. A number of software programs are commercially available for the calculation of boiling point, vapor pressure, and melting point, and these have been tested for their predictive ability with a test set of 100 organic chemicals.

Photocured epoxy/graphene nanocomposites with enhanced water vapor barrier properties

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

Periolatto, M.; Spena, P. Russo; Sangermano, M.

A transparent, water vapor barrier film made of an epoxy resin and graphene oxide (GO) was synthesized by photopolymerization process. The epoxy/GO film with just 0.05 wt% GO gives a 93% WVTR reduction with respect to the pristine polymer, reaching barrier properties better than other polymer composites containing higher amounts of graphene. The excellent water vapor barrier is attributed to the good dispersion of GO in the polymer matrix. Moreover, GO significantly enhances the toughness and the damping capacity of the epoxy resins. The hybrid film can have potential applications in anticorrosive coatings, electronic devices, pharmaceuticals and food packaging.

Photocured epoxy/graphene nanocomposites with enhanced water vapor barrier properties

NASA Astrophysics Data System (ADS)

Periolatto, M.; Sangermano, M.; Spena, P. Russo

2016-05-01

A transparent, water vapor barrier film made of an epoxy resin and graphene oxide (GO) was synthesized by photopolymerization process. The epoxy/GO film with just 0.05 wt% GO gives a 93% WVTR reduction with respect to the pristine polymer, reaching barrier properties better than other polymer composites containing higher amounts of graphene. The excellent water vapor barrier is attributed to the good dispersion of GO in the polymer matrix. Moreover, GO significantly enhances the toughness and the damping capacity of the epoxy resins. The hybrid film can have potential applications in anticorrosive coatings, electronic devices, pharmaceuticals and food packaging.

Constraining Water Vapor Abundance on Mars using a Coupled Heat-Water Transport Model and Seasonal Frost Observations

NASA Astrophysics Data System (ADS)

Bapst, J.; Byrne, S.

2016-12-01

The stability of water ice on Mars' surface is determined by its temperature and the density of water vapor at the bottom of the atmosphere. Multiple orbiting instruments have been used to study column-integrated water abundance in the martian atmosphere, resolving the global annual water cycle. However, poor knowledge of the vertical distribution of water makes constraining its abundance near the surface difficult. One must assume a mixing regime to produce surface vapor density estimates. More indirectly, one can use the appearance and disappearance of seasonal water frost, along with ice stability models, to estimate this value. Here, we use derived temperature and surface reflectance data from MGS TES to constrain a 1-D thermal diffusion model, which is coupled to an atmospheric water transport model. TES temperatures are used to constrain thermal properties of our modeled subsurface, while changes in TES albedo can be used to determine the timing of water frost. We tune the density of water vapor in the atmospheric model to match the observed seasonal water frost timing in the northern hemisphere, poleward of 45°N. Thus, we produce a new estimate for the water abundance in the lower atmosphere of Mars and how it varies seasonally and geographically. The timing of water frost can be ambiguous in TES data, especially at lower latitudes where the albedo contrast between frosted and unfrosted surfaces is lower (presumably due to lesser areal coverage of water frost). The uncertainty in frost timing with our approach is <20° LS ( 40 sols), and will be used to define upper and lower bounds in our estimate of vapor density. The implications of our derived vapor densities on the stability of surface and subsurface water ice will be discussed.

Transport of explosives I: TNT in soil and its equilibrium vapor

NASA Astrophysics Data System (ADS)

Baez, Bibiana; Correa, Sandra N.; Hernandez-Rivera, Samuel P.; de Jesus, Maritza; Castro, Miguel E.; Mina, Nairmen; Briano, Julio G.

2004-09-01

Landmine detection is an important task for military operations and for humanitarian demining. Conventional methods for landmine detection involve measurements of physical properties. Several of these methods fail on the detection of modern mines with plastic enclosures. Methods based on the detection signature explosives chemicals such as TNT and DNT are specific to landmines and explosive devices. However, such methods involve the measurements of the vapor trace, which can be deceiving of the actual mine location because of the complex transport phenomena that occur in the soil neighboring the buried landmine. We report on the results of the study of the explosives subject to similar environmental conditions as the actual mines. Soil samples containing TNT were used to study the effects of aging, temperature and moisture under controlled conditions. The soil used in the investigation was Ottawa sand. A JEOL GCMate II gas chromatograph +/- mass spectrometer coupled to a Tunable Electron Energy Monochromator (TEEM-GC/MS) was used to develop the method of analysis of explosives under enhanced detection conditions. Simultaneously, a GC with micro cell 63Ni, Electron Capture Detector (μECD) was used for analysis of TNT in sand. Both techniques were coupled with Solid-Phase Micro Extraction (SPME) methodology to collect TNT doped sand samples. The experiments were done in both, headspace and immersion modes of SPME for sampling of explosives. In the headspace experiments it was possible to detect appreciable TNT vapors as early as 1 hour after of preparing the samples, even at room temperature (20 °C). In the immersion experiments, I-SPME technique allowed for the detection of concentrations as low as 0.010 mg of explosive per kilogram of soil.

Properties of water vapor relevant to its measurement in the stratosphere and mesosphere

NASA Technical Reports Server (NTRS)

Longbothum, R. L.

1974-01-01

The literature on the concentrations of water vapor in the stratosphere and mesosphere was studied. It is estimated that the concentrations in these lie in the range from 0.1 ppm to 10 ppm. A survey was made of the scattering and radiative transfer properties of water vapor and the background constituents to determine the physical properties of importance to measurements of concentrations. It was determined that absorption and emission properties provide significant increases in sensitivity compared with the various scattering phenomena considered. Microwave absorption in the region of 22 GHz and 183 GHz and infrared absorption in the vibrational rotational band systems seem to be the most attractive techniques. Various experimental configurations are analyzed and compared.

Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations

NASA Astrophysics Data System (ADS)

Eskandari Nasrabad, A.; Laghaei, R.

2018-04-01

Computer simulations and various theories are applied to compute the thermodynamic and transport properties of nitrogen fluid. To model the nitrogen interaction, an existing potential in the literature is modified to obtain a close agreement between the simulation results and experimental data for the orthobaric densities. We use the Generic van der Waals theory to calculate the mean free volume and apply the results within the modified Cohen-Turnbull relation to obtain the self-diffusion coefficient. Compared to experimental data, excellent results are obtained via computer simulations for the orthobaric densities, the vapor pressure, the equation of state, and the shear viscosity. We analyze the results of the theory and computer simulations for the various thermophysical properties.

Leaf hydraulics I: scaling transport properties from single cells to tissues.

PubMed

Rockwell, Fulton E; Michele Holbrook, N; Stroock, Abraham D

2014-01-07

In leaf tissues, water may move through the symplast or apoplast as a liquid, or through the airspace as vapor, but the dominant path remains in dispute. This is due, in part, to a lack of models that describe these three pathways in terms of experimental variables. We show that, in plant water relations theory, the use of a hydraulic capacity in a manner analogous to a thermal capacity, though it ignores mechanical interactions between cells, is consistent with a special case of the more general continuum mechanical theory of linear poroelasticity. The resulting heat equation form affords a great deal of analytical simplicity at a minimal cost: we estimate an expected error of less than 12%, compared to the full set of equations governing linear poroelastic behavior. We next consider the case for local equilibrium between protoplasts, their cell walls, and adjacent air spaces during isothermal hydration transients to determine how accurately simple volume averaging of material properties (a 'composite' model) describes the hydraulic properties of leaf tissue. Based on typical hydraulic parameters for individual cells, we find that a composite description for tissues composed of thin walled cells with air spaces of similar size to the cells, as in photosynthetic tissues, is a reasonable preliminary assumption. We also expect isothermal transport in such cells to be dominated by the aquaporin-mediated cell-to-cell path. In the non-isothermal case, information on the magnitude of the thermal gradients is required to assess the dominant phase of water transport, liquid or vapor. © 2013 Published by Elsevier Ltd. All rights reserved.

Vapor transport deposition of antimony selenide thin film solar cells with 7.6% efficiency.

PubMed

Wen, Xixing; Chen, Chao; Lu, Shuaicheng; Li, Kanghua; Kondrotas, Rokas; Zhao, Yang; Chen, Wenhao; Gao, Liang; Wang, Chong; Zhang, Jun; Niu, Guangda; Tang, Jiang

2018-06-05

Antimony selenide is an emerging promising thin film photovoltaic material thanks to its binary composition, suitable bandgap, high absorption coefficient, inert grain boundaries and earth-abundant constituents. However, current devices produced from rapid thermal evaporation strategy suffer from low-quality film and unsatisfactory performance. Herein, we develop a vapor transport deposition technique to fabricate antimony selenide films, a technique that enables continuous and low-cost manufacturing of cadmium telluride solar cells. We improve the crystallinity of antimony selenide films and then successfully produce superstrate cadmium sulfide/antimony selenide solar cells with a certified power conversion efficiency of 7.6%, a net 2% improvement over previous 5.6% record of the same device configuration. We analyze the deep defects in antimony selenide solar cells, and find that the density of the dominant deep defects is reduced by one order of magnitude using vapor transport deposition process.

Spin Dependent Transport Properties of Metallic and Semiconducting Nanostructures

NASA Astrophysics Data System (ADS)

Sapkota, Keshab R.

Present computing and communication devices rely on two different classes of technologies; information processing devices are based on electrical charge transport in semiconducting materials while information storage devices are based on orientation of electron spins in magnetic materials. A realization of a hybrid-type device that is based on charge as well as spin properties of electrons would perform both of these actions thereby enhancing computation power to many folds and reducing power consumptions. This dissertation focuses on the fabrication of such spin-devices based on metallic and semiconducting nanostructures which can utilize spin as well as charge properties of electrons. A simplified design of the spin-device consists of a spin injector, a semiconducting or metallic channel, and a spin detector. The channel is the carrier of the spin signal from the injector to the detector and therefore plays a crucial role in the manipulation of spin properties in the device. In this work, nanostructures like nanowires and nanostripes are used to function the channel in the spin-device. Methods like electrospinning, hydrothermal, and wet chemical were used to synthesize nanowires while physical vapor deposition followed by heat treatment in controlled environment was used to synthesis nanostripes. Spin-devices fabrication of the synthesized nanostructures were carried out by electron beam lithography process. The details of synthesis of nanostructures, device fabrication procedures and measurement techniques will be discussed in the thesis. We have successfully fabricated the spin-devices of tellurium nanowire, indium nanostripe, and indium oxide nanostripe and studied their spin transport properties for the first time. These spin-devices show large spin relaxation length compared to normal metals like copper and offer potentials for the future technologies. Further, Heusler alloys nanowires like nanowires of Co 2FeAl were synthesized and studied for electrical

Purification and Crystal Growth of Lead Iodide by Physical Vapor Transport Method

NASA Technical Reports Server (NTRS)

Wright, G. W.; Cole, M.; Chen, Y.-F.; Chen, K.-T.; Chen, H.; Chattopadhyay, K.; Burger, A.

1998-01-01

Lead iodide (PbI2) is a layered compound semiconductor being developed as room temperature x- and gamma-ray detector. Compared to the more studied material, mercuric iodide, PbI2 has a higher melting temperature and no phase transition until liquid phase which are indications of better mechanical properties. In this study, the source material was purified by the zone-refining process, and the purest section was extracted from center of the the zone-refined ingot to be grown by physical vapor transport (PVT) method. The zone-refined material and as-grown crystals were characterized by optical microscopy and differential scanning calorimetry (DSC) to reveal the surface morphology, purity and stoichiometry. The results shows that both materials are near-stoichiometric composition, with the purity of the as-grown crystals higher than zone-refined materials. The resistivity of the as-grown crystal (10" Omega-cm) was derived from current-voltage (I-V) measurement, and is 10 times higher than the zone-refined materials. Detail results will be presented and discussed.

Vapor crystal growth technology development: Application to cadmium telluride

NASA Technical Reports Server (NTRS)

Rosenberger, Franz; Banish, Michael; Duval, Walter M. B.

1991-01-01

Growth of bulk crystals by physical vapor transport was developed and applied to cadmium telluride. The technology makes use of effusive ampoules, in which part of the vapor contents escapes to a vacuum shroud through defined leaks during the growth process. This approach has the advantage over traditional sealed ampoule techniques that impurity vapors and excess vapor constituents are continuously removed from the vicinity of the growing crystal. Thus, growth rates are obtained routinely at magnitudes that are rather difficult to achieve in closed ampoules. Other advantages of this effusive ampoule physical vapor transport (EAPVT) technique include the predetermination of transport rates based on simple fluid dynamics and engineering considerations, and the growth of the crystal from close to congruent vapors, which largely alleviates the compositional nonuniformities resulting from buoyancy driven convective transport. After concisely reviewing earlier work on improving transport rates, nucleation control, and minimization of crystal wall interactions in vapor crystal growth, a detail account is given of the largely computer controlled EAPVT experimentation.

Effects of growth temperature on the properties of InGaN channel heterostructures grown by pulsed metal organic chemical vapor deposition

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

Zhang, Yachao; Zhou, Xiaowei; Xu, Shengrui

Pulsed metal organic chemical vapor deposition (P-MOCVD) is introduced into the growth of high quality InGaN channel heterostructures. The effects of InGaN channel growth temperature on the structural and transport properties of the heterostructures are investigated in detail. High resolution x-ray diffraction (HRXRD) and Photoluminescence (PL) spectra indicate that the quality of InGaN channel strongly depends on the growth temperature. Meanwhile, the atomic force microscopy (AFM) results show that the interface morphology between the InGaN channel and the barrier layer also relies on the growth temperature. Since the variation of material properties of InGaN channel has a significant influence onmore » the electrical properties of InAlN/InGaN heterostructures, the optimal transport properties can be achieved by adjusting the growth temperature. A very high two dimension electron gas (2DEG) density of 1.92 × 10{sup 13} cm{sup −2} and Hall electron mobility of 1025 cm{sup 2}/(V⋅s) at room temperature are obtained at the optimal growth temperature around 740 °C. The excellent transport properties in our work indicate that the heterostructure with InGaN channel is a promising candidate for the microwave power devices, and the results in this paper will be instructive for further study of the InGaN channel heterostructures.« less

Performance of a Cross-Flow Humidifier with a High Flux Water Vapor Transport Membrane

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

Ahluwalia, R. K.; Wang, X.; Johnson, W. B.

Water vapor transport (WVT) flux across a composite membrane that consists of a very thin perfluorosulfonic acid (PFSA) ionomer layer sandwiched between two expanded polytetrafluoroethylene (PTFE) microporous layers is investigated. Static and dynamic tests are conducted to measure WVT flux for different composite structures; a transport model shows that the underlying individual resistances for water diffusion in the gas phase and microporous and ionomer layers and for interfacial kinetics of water uptake at the ionomer surface are equally important under different conditions. A finite-difference model is formulated to determine water transport in a full-scale (2-m2 active membrane area) planar cross-flowmore » humidifier module assembled using pleats of the optimized composite membrane. In agreement with the experimental data, the modeled WVT flux in the module increases at higher inlet relative humidity (RH) of the wet stream and at lower pressures, but the mass transfer effectiveness is higher at higher pressures. The model indicates that the WVT flux is highest under conditions that maintain the wet stream at close to 100% RH while preventing the dry stream from becoming saturated. The overall water transport is determined by the gradient in RH of the wet and dry streams but is also affected by vapor diffusion in the gas layer and the microporous layer.« less

Transportable Rayleigh/Raman lidar for aerosol and water vapor profiling

NASA Astrophysics Data System (ADS)

Congeduti, Fernando; D'Aulerio, P.; Casadio, S.; Baldetti, P.; Belardinelli, F.

2001-01-01

A nighttime operating Raman/Rayleigh/Mie lidar system for the measurement of profiles of the water vapor mixing ratio and the aerosol backscatter ratio is described. The transmitter utilizes two laser beam at 532 nm and 355 nm from a Nd:YAG pulsed laser and the receiver consists of three Newtonian telescopes. Optical fibers carry the signal to the detectors. The system, which is installed in two containers, is transportable. Data are recorded with resolutions of 75-m in altitude and 1-min in time. Water vapor profiles from 200 m above the lidar altitude up to the upper troposphere and aerosol profiles form 500 m up to the lower stratosphere were obtained also at the lowest resolution. The lidar was deployed and used in the 'Target Area of the Lago Maggiore' during the MAP-SOP international campaign. Measurements taken during that campaign are reported to show the lidar performance. Improvements of the system by employing an array of nine 50-cm diameter telescopes are planned. These should effectively enhance the lidar performance.

Molecular simulation of thermodynamic and transport properties for the H{sub 2}O+NaCl system

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

Orozco, Gustavo A.; Jiang, Hao; Panagiotopoulos, Athanassios Z., E-mail: azp@princeton.edu

Molecular dynamics and Monte Carlo simulations have been carried out to obtain thermodynamic and transport properties of the binary mixture H{sub 2}O+NaCl at temperatures from T = 298 to 473 K. In particular, vapor pressures, liquid densities, viscosities, and vapor-liquid interfacial tensions have been obtained as functions of pressure and salt concentration. Several previously proposed fixed-point-charge models that include either Lennard-Jones (LJ) 12-6 or exponential-6 (Exp6) functional forms to describe non-Coulombic interactions were studied. In particular, for water we used the SPC and SPC/E (LJ) models in their rigid forms, a semiflexible version of the SPC/E (LJ) model, and themore » Errington-Panagiotopoulos Exp6 model; for NaCl, we used the Smith-Dang and Joung-Cheatham (LJ) parameterizations as well as the Tosi-Fumi (Exp6) model. While none of the model combinations are able to reproduce simultaneously all target properties, vapor pressures are well represented using the SPC plus Joung-Cheathem model combination, and all LJ models do well for the liquid density, with the semiflexible SPC/E plus Joung-Cheatham combination being the most accurate. For viscosities, the combination of rigid SPC/E plus Smith-Dang is the best alternative. For interfacial tensions, the combination of the semiflexible SPC/E plus Smith-Dang or Joung-Cheatham gives the best results. Inclusion of water flexibility improves the mixture densities and interfacial tensions, at the cost of larger deviations for the vapor pressures and viscosities. The Exp6 water plus Tosi-Fumi salt model combination was found to perform poorly for most of the properties of interest, in particular being unable to describe the experimental trend for the vapor pressure as a function of salt concentration.« less

Evaluation of the BioVapor Model

EPA Science Inventory

The BioVapor model addresses transport and biodegradation of petroleum vapors in the subsurface. This presentation describes basic background on the nature and scientific basis of environmental transport models. It then describes a series of parameter uncertainty runs of the Bi...

Chemical vapor transport of chalcopyrite semiconductors: CuGaS2 and AgGaS2

NASA Astrophysics Data System (ADS)

Lauck, R.; Cardona, M.; Kremer, R. K.; Siegle, G.; Bhosale, J. S.; Ramdas, A. K.; Alawadhi, H.; Miotkowski, I.; Romero, A. H.; Muñoz, A.; Burger, A.

2014-09-01

Crystals of CuGaS2 and AgGaS2 with different isotopic compositions have been grown by chemical vapor transport (CVT) using iodine as the transport agent. Before performing the CVT growth, sulfur and copper were purified by sublimation and etching, respectively. 109Ag and the etched 71Ga isotopes were purified from oxides by vacuum annealing. Transparent yellow orange crystals of CuGaS2 and greenish yellow crystals of AgGaS2 were obtained in the shape of platelets, chunks, rods and needles in sizes of up to 8 mm (CuGaS2) and 30 mm (AgGaS2). These crystals were used to study their electronic, vibrational and thermodynamic properties. Higher excitonic states (n=2,3) were observed at low temperatures with wavelength-modulated reflectivity spectroscopy, thus proving an excellent surface and crystal quality. In addition, the experimentally determined non-monotonic temperature dependence of the excitonic energies can be well fitted by using two Bose-Einstein oscillators and their statistical factors, corresponding to characteristic acoustic and optical phonon frequencies. Isotopic shift of excitonic energies has also been successfully observed in these crystals.

Gas-pressure chemical vapor transport growth of millimeter-sized c-BAs single crystals with moderate thermal conductivity

NASA Astrophysics Data System (ADS)

Xing, Jie; Glaser, Evan R.; Song, Bai; Culbertson, James C.; Freitas, Jaime A.; Duncan, Ryan A.; Nelson, Keith A.; Chen, Gang; Ni, Ni

2018-06-01

We have grown c-BAs single crystals up to 1000 μm size by the chemical vapor transport (CVT) technique using combined As and I2 transport agents with the As:I ratio of 1:3 under gas pressures of up to 35 atm. Raman spectroscopy revealed a very sharp (˜2.4 cm-1) P1 phonon mode and an interesting splitting behavior of P1 from detailed polarization studies. Electron paramagnetic resonance (EPR) experiments revealed no evidence for EPR active growth-related defects under the experimental resolution. Finally, a moderate thermal conductivity value of ˜132 W/m-K was obtained using a transient thermal grating technique. These results suggest that although the high As gas vapor pressure environment in CVT growth can increase the transport rate of c-BAs significantly, it may not be efficient in reducing the defects and enhancing the thermal conductivity in c-BAs significantly.

Transport processes in partially saturate concrete: Testing and liquid properties

NASA Astrophysics Data System (ADS)

Villani, Chiara

The measurement of transport properties of concrete is considered by many to have the potential to serve as a performance criterion that can be related to concrete durability. However, the sensitivity of transport tests to several parameters combined with the low permeability of concrete complicates the testing. Gas permeability and diffusivity test methods are attractive due to the ease of testing, their non-destructive nature and their potential to correlate to in-field carbonation of reinforced concrete structures. This work was aimed at investigating the potential of existing gas transport tests as a way to reliably quantify transport properties in concrete. In this study gas permeability and diffusivity test methods were analyzed comparing their performance in terms of repeatability and variability. The influence of several parameters was investigated such as moisture content, mixture proportions and gas flow. A closer look to the influence of pressure revealed an anomalous trend of permeability with respect to pressure. An alternative calculation is proposed in an effort to move towards the determination of intrinsic material properties that can serve as an input for service life prediction models. The impact of deicing salts exposure was also analyzed with respect to their alteration of the degree of saturation as this may affect gas transport in cementitious materials. Limited information were previously available on liquid properties over a wide range of concentrations. To overcome this limitation, this study quantified surface tension, viscosity in presence of deicing salts in a broad concentration range and at different temperatures. Existing models were applied to predict the change of fluid properties during drying. Vapor desorption isotherms were obtained to investigate the influence of deicing salts presence on the non-linear moisture diffusion coefficient. Semi-empirical models were used to quantify the initiation and the rate of drying using liquid

Interaction of gases with lunar materials. [surface properties of lunar fines, especially on exposure to water vapor

NASA Technical Reports Server (NTRS)

Holmes, H. F.; Gammage, R. B.

1975-01-01

The surface properties of lunar fines were investigated. Results indicate that, for the most part, these properties are independent of the chemical composition and location of the samples on the lunar surface. The leaching of channels and pores by adsorbed water vapor is a distinguishing feature of their surface chemistry. The elements of air, if adsorbed in conjunction with water vapor or liquid water, severely impedes the leaching process. In the absence of air, liquid water is more effective than water vapor in attacking the grains. The characteristics of Apollo 17 orange fines were evaluated and compared with those of other samples. The interconnecting channels produced by water vapor adsorption were found to be wider than usual for other types of fines. Damage tracks caused by heavy cosmic ray nuclei and an unusually high halogen content might provide for stronger etching conditions upon exposure to water vapor.

Vapor Transport Within the Thermal Diffusion Cloud Chamber

NASA Technical Reports Server (NTRS)

Ferguson, Frank T.; Heist, Richard H.; Nuth, Joseph A., III

2000-01-01

A review of the equations used to determine the 1-D vapor transport in the thermal diffusion cloud chamber (TDCC) is presented. These equations closely follow those of the classical Stefan tube problem in which there is transport of a volatile species through a noncondensible, carrier gas. In both cases, the very plausible assumption is made that the background gas is stagnant. Unfortunately, this assumption results in a convective flux which is inconsistent with the momentum and continuity equations for both systems. The approximation permits derivation of an analytical solution for the concentration profile in the Stefan tube, but there is no computational advantage in the case of the TDCC. Furthermore, the degree of supersaturation is a sensitive function of the concentration profile in the TD CC and the stagnant background gas approximation can make a dramatic difference in the calculated supersaturation. In this work, the equations typically used with a TDCC are compared with very general transport equations describing the 1-D diffusion of the volatile species. Whereas no pressure dependence is predicted with the typical equations, a strong pressure dependence is present with the more general equations given in this work. The predicted behavior is consistent with observations in diffusion cloud experiments. It appears that the new equations may account for much of the pressure dependence noted in TDCC experiments, but a comparison between the new equations and previously obtained experimental data are needed for verification.

Liquid-vapor equilibrium and interfacial properties of square wells in two dimensions

NASA Astrophysics Data System (ADS)

Armas-Pérez, Julio C.; Quintana-H, Jacqueline; Chapela, Gustavo A.

2013-01-01

Liquid-vapor coexistence and interfacial properties of square wells in two dimensions are calculated. Orthobaric densities, vapor pressures, surface tensions, and interfacial thicknesses are reported. Results are presented for a series of potential widths λ* = 1.4, 1.5, 2, 2.5, 3, 3.5, 4, 4.5, and 5, where λ* is given in units of the hard core diameter σ. Critical and triple points are explored. No critical point was found for λ* < 1.4. Corresponding states principle analysis is performed for the whole series. For λ* = 1.4 and 1.5 evidence is presented that at an intermediate temperature between the critical and the triple point temperatures the liquid branch becomes an amorphous solid. This point is recognized in Armas-Pérez et al. [unpublished] as a hexatic phase transition. It is located at reduced temperatures T* = 0.47 and 0.35 for λ* = 1.4 and 1.5, respectively. Properties such as the surface tension, vapor pressure, and interfacial thickness do not present any discontinuity at these points. This amorphous solid branch does not follow the corresponding state principle, which is only applied to liquids and gases.

Flight Experiments of Physical Vapor Transport of ZnSe: Growth of Crystals in Various Convective Conditions

NASA Technical Reports Server (NTRS)

Su, Ching-Hua

2015-01-01

A low gravity material experiment will be performed in the Material Science Research Rack (MSRR) on International Space Station (ISS). The flight experiment will conduct crystal growths of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, by physical vapor transport (PVT). The main objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the grown crystals as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions. This talk will focus on the ground-based studies on the PVT crystal growth of ZnSe and related ternary compounds, especially the effects of different growth orientations related to gravity direction on the grown crystals.

Structure-property relationships in halogenbenzoic acids: Thermodynamics of sublimation, fusion, vaporization and solubility.

PubMed

Zherikova, Kseniya V; Svetlov, Aleksey A; Kuratieva, Natalia V; Verevkin, Sergey P

2016-10-01

Temperature dependences of vapor pressures for 2-, 3-, and 4-bromobenzoic acid, as well as for five isomeric bromo-methylbenzoic acids were studied by the transpiration method. Melting temperatures and enthalpies of fusion for all isomeric bromo-methylbenzoic acids and 4-bromobenzoic acid were measured with a DSC. The molar enthalpies of sublimation and vaporization were derived. These data together with results available in the literature were collected and checked for internal consistency using a group-additivity procedure and results from X-ray structural diffraction studies. Specific (hydrogen bonding) interactions in the liquid and in the crystal phase of halogenbenzoic acids were quantified based on experimental values of vaporization and sublimation enthalpies. Structure-property correlations of solubilities of halogenobenzoic acids with sublimation pressures and sublimation enthalpies were developed and solubilities of bromo-benzoic acids were estimated. These new results resolve much of the ambiguity in the available thermochemical and solubility data on bromobenzoic acids. The approach based on structure property correlations can be applied for the assessment of water solubility of sparingly soluble drugs. Copyright © 2016 Elsevier Ltd. All rights reserved.

Reduction of degradation in vapor phase transported InP/InGaAsP mushroom stripe lasers

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

Jung, H.; Burkhardt, E.G.; Pfister, W.

1988-10-03

The rapid degradation rate generally observed in InP/InGaAsP mushroom stripe lasers can be considerably decreased by regrowing the open sidewalls of the active stripe with low-doped InP in a second epitaxial step using the hydride vapor phase transport technique. This technique does not change the fundamental laser parameters like light-current and current-voltage characteristics. Because of this drastic reduction in degradation, the vapor phase epitaxy regrown InP/InGaAsP mushroom laser seems to be an interesting candidate for application in optical communication.

BTSC VAPOR INSTRUSION PRIMER "VAPOR INTRUSION CONSIDERATION FOR REDEVELOPMENT"

EPA Science Inventory

This primer is designed for brownfields stakeholders concerned about vapor intrusion, including property owners, real estate developers, and contractors performing environmental site investigations. It provides an overview of the vapor intrusion issue and how it can impact the ap...

BioVapor Model Evaluation (St. Louis, MO)

EPA Science Inventory

The BioVapor model addresses transport and biodegradation of petroleum vapors in the subsurface. This presentation describes basic background on the nature and scientific basis of environmental transport models. It then describes a series of parameter uncertainty runs of the Bi...

The Effect of Cirrus Clouds on Water Vapor Transport in the Upper Troposphere and Lower Stratosphere

NASA Astrophysics Data System (ADS)

Lei, L.; McCormick, M. P.; Anderson, J.

2017-12-01

Water vapor plays an important role in the Earth's radiation budget and stratospheric chemistry. It is widely accepted that a large percentage of water vapor entering the stratosphere travels through the tropical tropopause and is dehydrated by the cold tropopause temperature. The vertical transport of water vapor is also affected by the radiative effects of cirrus clouds in the tropical tropopause layer. This latter effect of cirrus clouds was investigated in this research. The work focuses on the tropical and mid-latitude region (50N-50S). Water vapor data from the Microwave Limb Sounder (MLS) and cirrus cloud data from the Cloud-Aerosol Lidar and Infrared pathfinder Satellite Observation (CALIPSO) instruments were used to investigate the relationship between the water vapor and the occurrence of cirrus cloud. A 10-degree in longitude by 10-degree in latitude resolution was chosen to bin the MLS and CALIPSO data. The result shows that the maximum water vapor in the upper troposphere (below 146 hPa) is matched very well with the highest frequency of cirrus cloud occurrences. Maximum water vapor in the lower stratosphere (100 hPa) is partly matched with the maximum cirrus cloud occurrence in the summer time. The National Oceanic and Atmospheric Administration Interpolated Outgoing Longwave Radiation data and NCEP-DOE Reanalysis 2 wind data were used also to investigate the relationship between the water vapor entering the stratosphere, deep convection, and wind. Results show that maximum water vapor at 100 hPa coincides with the northern hemisphere summer-time anticyclone. The effects from both single-layer cirrus clouds and cirrus clouds above the anvil top on the water vapor entering the stratosphere were also studied and will be presented.

DSMC simulations of vapor transport toward development of the lithium vapor box divertor concept

NASA Astrophysics Data System (ADS)

Jagoe, Christopher; Schwartz, Jacob; Goldston, Robert

2016-10-01

The lithium vapor divertor box concept attempts to achieve volumetric dissipation of the high heat efflux from a fusion power system. The vapor extracts the heat of the incoming plasma by ionization and radiation, while remaining localized in the vapor box due to differential pumping based on rapid condensation. Preliminary calculations with lithium vapor at densities appropriate for an NSTX-U-scale machine give Knudsen numbers between 0.01 and 1, outside both the range of continuum fluid dynamics and of collisionless Monte Carlo. The direct-simulation Monte Carlo (DSMC) method, however, can simulate rarefied gas flows in this regime. Using the solver contained in the OpenFOAM package, pressure-driven flows of water vapor will be analyzed. The use of water vapor in the relevant range of Knudsen number allows for a flexible similarity experiment to verify the reliability of the code before moving to tests with lithium. The simulation geometry consists of chains of boxes on a temperature gradient, connected by slots with widths that are a representative fraction of the dimensions of the box. We expect choked flow, sonic shocks, and order-of-magnitude pressure and density drops from box to box, but this expectation will be tested in the simulation and then experiment. This work is supported by the Princeton Environmental Institute.

Effect of copper doping sol-gel ZnO thin films: physical properties and sensitivity to ethanol vapor

NASA Astrophysics Data System (ADS)

Boukaous, Chahra; Benhaoua, Boubaker; Telia, Azzedine; Ghanem, Salah

2017-10-01

In the present paper, the effect of copper doping ZnO thin films, deposited using a sol-gel dip-coating technique, on the structural, optical and ethanol vapor-sensing properties, was investigated. The range of the doping content is 0 wt. %-5 wt. % Cu/Zn and the films’ properties were studied using x-ray diffraction, scanning electron microscopy and a UV-vis spectrophotometer. The obtained results indicated that undoped and copper-doped zinc oxide thin films have polycrystalline wurtzite structure with (1 0 1) preferred orientation. All samples have a smooth and dense structure free of pinholes. A decrease in the band gap with Cu concentration in the ZnO network was observed. The influence of the dopant on ethanol vapor-sensing properties shows an increase in the film sensitivity to the ethanol vapor within the Cu concentration.

Using "CONNected objECT (CONNECT)" Algorithm to Explore Intense Global Water Vapor Transport to Investigate Impacts of Climate Variability and Change

NASA Astrophysics Data System (ADS)

Kawzenuk, B.; Sellars, S. L.; Nguyen, P.; Ralph, F. M.; Sorooshian, S.

2017-12-01

The CONNected objECT (CONNECT) algorithm is applied to Integrated Water Vapor Transport (IVT) data from the NASA's Modern-Era Retrospective Analysis for Research and Applications - Version 2 reanalysis product for the period 1980 to 2016 to study water vapor transport globally. The algorithm generates life-cycle records as statistical objects for the time and space location of the evolving strong vapor transport events. Global statistics are presented and used to investigate how climate variability impacts the events' location and frequency. Results show distinct water vapor object frequency and seasonal peaks during NH and SH Winter. Moreover, a positive linear trend in the annual number of objects is reported, increasing by 3.58 objects year-over-year (with 95% confidence, +/- 1.39). In addition, we show five distinct regions where these events typically exist (southeastern United States, eastern China, South Pacific south of 25°S, eastern South America and off the southern tip of South Africa), and where they rarely exist (eastern South Pacific Ocean and central southern Atlantic Ocean between 5°N-25°S). In addition, the event frequency and geographical location are also shown to be related to the Arctic Oscillation, Pacific North American Pattern, and the Quasi-Biennial Oscillation.

Thermodynamic properties and transport coefficients of air thermal plasmas mixed with ablated vapors of Cu and polytetrafluoroethylene

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

Zhang, JunMin, E-mail: jmzhang@buaa.edu.cn, E-mail: guanyg@tsinghua.edu.cn; Lu, ChunRong; Guan, YongGang, E-mail: jmzhang@buaa.edu.cn, E-mail: guanyg@tsinghua.edu.cn

2015-10-15

Because the fault arc in aircraft electrical system often causes a fire, it is particularly important to analyze its energy and transfer for aircraft safety. The calculation of arc energy requires the basic parameters of the arc. This paper is mainly devoted to the calculations of equilibrium composition, thermodynamic properties (density, molar weight, enthalpy, and specific heat at constant pressure) and transport coefficients (thermal conductivity, electrical conductivity, and viscosity) of plasmas produced by a mixture of air, Cu, and polytetrafluoroethylene under the condition of local thermodynamic equilibrium. The equilibrium composition is determined by solving a system of equations around themore » number densities of each species. The thermodynamic properties are obtained according to the standard thermodynamic relationships. The transport coefficients are calculated using the Chapman-Enskog approximations. Results are presented in the temperature range from 3000 to 30 000 K for pressures of 0.08 and 0.1 MPa, respectively. The results are more accurate and are reliable reference data for theoretical analysis and computational simulation of the behavior of fault arc.« less

Origin of the relatively low transport mobility of graphene grown through chemical vapor deposition

PubMed Central

Song, H. S.; Li, S. L.; Miyazaki, H.; Sato, S.; Hayashi, K.; Yamada, A.; Yokoyama, N.; Tsukagoshi, K.

2012-01-01

The reasons for the relatively low transport mobility of graphene grown through chemical vapor deposition (CVD-G), which include point defect, surface contamination, and line defect, were analyzed in the current study. A series of control experiments demonstrated that the determinant factor for the low transport mobility of CVD-G did not arise from point defects or surface contaminations, but stemmed from line defects induced by grain boundaries. Electron microscopies characterized the presence of grain boundaries and indicated the polycrystalline nature of the CVD-G. Field-effect transistors based on CVD-G without the grain boundary obtained a transport mobility comparative to that of Kish graphene, which directly indicated the detrimental effect of grain boundaries. The effect of grain boundary on transport mobility was qualitatively explained using a potential barrier model. Furthermore, the conduction mechanism of CVD-G was also investigated using the temperature dependence measurements. This study can help understand the intrinsic transport features of CVD-G. PMID:22468224

Influence of long-range transboundary transport on atmospheric water vapor mercury collected at the largest city of Tibet.

PubMed

Huang, Jie; Kang, Shichang; Tian, Lide; Guo, Junming; Zhang, Qianggong; Cong, Zhiyuan; Sillanpää, Mika; Sun, Shiwei; Tripathee, Lekhendra

2016-10-01

Monsoon circulation is an important process that affects long-range transboundary transport of anthropogenic contaminants such as mercury (Hg). During the Indian monsoon season of 2013, a total of 92 and 26 atmospheric water vapor samples were collected at Lhasa, the largest city of the Tibet, for Hg and major ions analysis, respectively. The relatively low pH/high electronic conductivity values, together with the fact that NH4(+) in atmospheric water vapor was even higher than that determined in precipitation of Lhasa, indicated the effects of anthropogenic perturbations through long-range transboundary atmospheric transport. Concentrations of Hg in atmospheric water vapor ranged from 2.5 to 73.7ngL(-1), with an average of 12.5ngL(-1). The elevated Hg and major ions concentrations, and electronic conductivity values were generally associated with weak acidic samples, and Hg mainly loaded with anthropogenic ions such as NH4(+). The results of principal component analysis and trajectory analysis suggested that anthropogenic emissions from the Indian subcontinent may have largely contributed to the determined Hg in atmospheric water vapor. Furthermore, our study reconfirmed that below-cloud scavenging contribution was significant for precipitation Hg in Lhasa, and evaluated that on average 74.1% of the Hg in precipitation could be accounted for by below-cloud scavenging. Copyright © 2016 Elsevier B.V. All rights reserved.

Mountain waves modulate the water vapor distribution in the UTLS

NASA Astrophysics Data System (ADS)

Heller, Romy; Voigt, Christiane; Beaton, Stuart; Dörnbrack, Andreas; Giez, Andreas; Kaufmann, Stefan; Mallaun, Christian; Schlager, Hans; Wagner, Johannes; Young, Kate; Rapp, Markus

2017-12-01

The water vapor distribution in the upper troposphere-lower stratosphere (UTLS) region has a strong impact on the atmospheric radiation budget. Transport and mixing processes on different scales mainly determine the water vapor concentration in the UTLS. Here, we investigate the effect of mountain waves on the vertical transport and mixing of water vapor. For this purpose we analyze measurements of water vapor and meteorological parameters recorded by the DLR Falcon and NSF/NCAR Gulfstream V research aircraft taken during the Deep Propagating Gravity Wave Experiment (DEEPWAVE) in New Zealand. By combining different methods, we develop a new approach to quantify location, direction and irreversibility of the water vapor transport during a strong mountain wave event on 4 July 2014. A large positive vertical water vapor flux is detected above the Southern Alps extending from the troposphere to the stratosphere in the altitude range between 7.7 and 13.0 km. Wavelet analysis for the 8.9 km altitude level shows that the enhanced upward water vapor transport above the mountains is caused by mountain waves with horizontal wavelengths between 22 and 60 km. A downward transport of water vapor with 22 km wavelength is observed in the lee-side of the mountain ridge. While it is a priori not clear whether the observed fluxes are irreversible, low Richardson numbers derived from dropsonde data indicate enhanced turbulence in the tropopause region related to the mountain wave event. Together with the analysis of the water vapor to ozone correlation, we find indications for vertical transport followed by irreversible mixing of water vapor. For our case study, we further estimate greater than 1 W m-2 radiative forcing by the increased water vapor concentrations in the UTLS above the Southern Alps of New Zealand, resulting from mountain waves relative to unperturbed conditions. Hence, mountain waves have a great potential to affect the water vapor distribution in the UTLS. Our

Transport properties in the atmosphere of Jupiter

NASA Technical Reports Server (NTRS)

Biolsi, L., Jr.

1979-01-01

Activities reported include: (1) testing of the computer program used to obtain transport properties for the Hulburt-Hirschfelder potential; (2) calculation of transport properties for the C2-C interaction; (3) preliminary calculations for the C2-C2 interaction; (4) calculation of transport properties for the C2H-He interaction; (5) consideration of the effect of inelastic collisions on the transport properties; and (6) the use of the Hulburt-Hirschfelder potential to model ion-atom interactions.

ECMWF Extreme Forecast Index for water vapor transport: A forecast tool for atmospheric rivers and extreme precipitation

NASA Astrophysics Data System (ADS)

Lavers, David A.; Pappenberger, Florian; Richardson, David S.; Zsoter, Ervin

2016-11-01

In winter, heavy precipitation and floods along the west coasts of midlatitude continents are largely caused by intense water vapor transport (integrated vapor transport (IVT)) within the atmospheric river of extratropical cyclones. This study builds on previous findings that showed that forecasts of IVT have higher predictability than precipitation, by applying and evaluating the European Centre for Medium-Range Weather Forecasts Extreme Forecast Index (EFI) for IVT in ensemble forecasts during three winters across Europe. We show that the IVT EFI is more able (than the precipitation EFI) to capture extreme precipitation in forecast week 2 during forecasts initialized in a positive North Atlantic Oscillation (NAO) phase; conversely, the precipitation EFI is better during the negative NAO phase and at shorter leads. An IVT EFI example for storm Desmond in December 2015 highlights its potential to identify upcoming hydrometeorological extremes, which may prove useful to the user and forecasting communities.

The Observed Relationship Between Water Vapor and Ozone in the Tropical Tropopause Saturation Layer and the Influence of Meridional Transport

NASA Technical Reports Server (NTRS)

Selkirk, Henry B.; Schoeberl, M. R.; Olsen, M. A.; Douglass, A. R.

2011-01-01

We examine balloonsonde observations of water vapor and ozone from three Ticosonde campaigns over San Jose, Costa Rica [10 N, 84 W] during northern summer and a fourth during northern winter. The data from the summer campaigns show that the uppermost portion of the tropical tropopause layer between 360 and 380 K, which we term the tropopause saturation layer or TSL, is characterized by water vapor mixing ratios from proximately 3 to 15 ppmv and ozone from approximately 50 ppbv to 250 ppbv. In contrast, the atmospheric water vapor tape recorder at 380 K and above displays a more restricted 4-7 ppmv range in water vapor mixing ratio. From this perspective, most of the parcels in the TSL fall into two classes - those that need only additional radiative heating to rise into the tape recorder and those requiring some combination of additional dehydration and mixing with drier air. A substantial fraction of the latter class have ozone mixing ratios greater than 150 ppbv, and with water vapor greater than 7 ppmv this air may well have been transported into the tropics from the middle latitudes in conjunction with high-amplitude equatorial waves. We examine this possibility with both trajectory analysis and transport diagnostics based on HIRDLS ozone data. We apply the same approach to study the winter season. Here a very different regime obtains as the ozone-water vapor scatter diagram of the sonde data shows the stratosphere and troposphere to be clearly demarcated with little evidence of mixing in of middle latitude air parcels.

Investigating the source, transport, and isotope composition of water vapor in the planetary boundary layer

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

Griffis, Timothy J.; Wood, Jeffrey D.; Baker, John M.

Increasing atmospheric humidity and convective precipitation over land provide evidence of intensification of the hydrologic cycle – an expected response to surface warming. The extent to which terrestrial ecosystems modulate these hydrologic factors is important to understand feedbacks in the climate system. We measured the oxygen and hydrogen isotope composition of water vapor at a very tall tower (185 m) in the upper Midwest, United States, to diagnose the sources, transport, and fractionation of water vapor in the planetary boundary layer (PBL) over a 3-year period (2010 to 2012). These measurements represent the first set of annual water vapor isotopemore » observations for this region. Several simple isotope models and cross-wavelet analyses were used to assess the importance of the Rayleigh distillation process, evaporation, and PBL entrainment processes on the isotope composition of water vapor. The vapor isotope composition at this tall tower site showed a large seasonal amplitude (mean monthly δ 18O v ranged from –40.2 to –15.9 ‰ and δ 2H v ranged from –278.7 to –113.0 ‰) and followed the familiar Rayleigh distillation relation with water vapor mixing ratio when considering the entire hourly data set. However, this relation was strongly modulated by evaporation and PBL entrainment processes at timescales ranging from hours to several days. The wavelet coherence spectra indicate that the oxygen isotope ratio and the deuterium excess ( d v) of water vapor are sensitive to synoptic and PBL processes. According to the phase of the coherence analyses, we show that evaporation often leads changes in d v, confirming that it is a potential tracer of regional evaporation. Isotope mixing models indicate that on average about 31 % of the growing season PBL water vapor is derived from regional evaporation. However, isoforcing calculations and mixing model analyses for high PBL water vapor mixing ratio events ( > 25 mmol mol –1) indicate that

Investigating the source, transport, and isotope composition of water vapor in the planetary boundary layer

DOE PAGES

Griffis, Timothy J.; Wood, Jeffrey D.; Baker, John M.; ...

2016-04-25

Increasing atmospheric humidity and convective precipitation over land provide evidence of intensification of the hydrologic cycle – an expected response to surface warming. The extent to which terrestrial ecosystems modulate these hydrologic factors is important to understand feedbacks in the climate system. We measured the oxygen and hydrogen isotope composition of water vapor at a very tall tower (185 m) in the upper Midwest, United States, to diagnose the sources, transport, and fractionation of water vapor in the planetary boundary layer (PBL) over a 3-year period (2010 to 2012). These measurements represent the first set of annual water vapor isotopemore » observations for this region. Several simple isotope models and cross-wavelet analyses were used to assess the importance of the Rayleigh distillation process, evaporation, and PBL entrainment processes on the isotope composition of water vapor. The vapor isotope composition at this tall tower site showed a large seasonal amplitude (mean monthly δ 18O v ranged from –40.2 to –15.9 ‰ and δ 2H v ranged from –278.7 to –113.0 ‰) and followed the familiar Rayleigh distillation relation with water vapor mixing ratio when considering the entire hourly data set. However, this relation was strongly modulated by evaporation and PBL entrainment processes at timescales ranging from hours to several days. The wavelet coherence spectra indicate that the oxygen isotope ratio and the deuterium excess ( d v) of water vapor are sensitive to synoptic and PBL processes. According to the phase of the coherence analyses, we show that evaporation often leads changes in d v, confirming that it is a potential tracer of regional evaporation. Isotope mixing models indicate that on average about 31 % of the growing season PBL water vapor is derived from regional evaporation. However, isoforcing calculations and mixing model analyses for high PBL water vapor mixing ratio events ( > 25 mmol mol –1) indicate that

PVT properties and vapor-pressures of ordinary water substance in the critical region

NASA Astrophysics Data System (ADS)

Morita, T.; Sato, H.; Uematsu, M.; Watanabe, K.

1989-03-01

For the purpose of revealing the rather complicated thermodynamic surface of ordinary water substance in the critical region, a series of measurements of the PVT properties and the vapor-pressures of this technically important fluid have been performed by means of a constant-volume method. Ninety-three PVT measurements along 14 isotherms between 638.15 K and 652.15 K have been completed covering pressures from 18.5 to 39.2 MPa and densities from 122 to 610kg/m 3. Twenty-six vapor-pressure measurements have also been performed at temperatures between 620.15 K and 647.05 K in the near vicinity of the critical point. Our measurements are compared with other available experimental data as well as with several equations of state. We also propose a new vapor-pressure correlation from the triple point to the critical point.

On the universal behavior of some thermodynamic properties along the whole liquid-vapor coexistence curve

NASA Astrophysics Data System (ADS)

Román, F. L.; White, J. A.; Velasco, S.; Mulero, A.

2005-09-01

When thermodynamic properties of a pure substance are transformed to reduced form by using both critical- and triple-point values, the corresponding experimental data along the whole liquid-vapor coexistence curve can be correlated with a very simple analytical expression that interpolates between the behavior near the triple and the critical points. The leading terms of this expression contain only two parameters: the critical exponent and the slope at the triple point. For a given thermodynamic property, the critical exponent has a universal character but the slope at the triple point can vary significantly from one substance to another. However, for certain thermodynamic properties including the difference of coexisting densities, the enthalpy of vaporization, and the surface tension of the saturated liquid, one finds that the slope at the triple point also has a nearly universal value for a wide class of fluids. These thermodynamic properties thus show a corresponding apparently universal behavior along the whole coexistence curve.

Thermophysical properties of hydrogen along the liquid-vapor coexistence

NASA Astrophysics Data System (ADS)

Osman, S. M.; Sulaiman, N.; Bahaa Khedr, M.

2016-05-01

We present Theoretical Calculations for the Liquid-Vapor Coexistence (LVC) curve of fluid Hydrogen within the first order perturbation theory with a suitable first order quantum correction to the free energy. In the present equation of state, we incorporate the dimerization of H2 molecule by treating the fluid as a hard convex body fluid. The thermophysical properties of fluid H2 along the LVC curve, including the pressure-temperature dependence, density-temperature asymmetry, volume expansivity, entropy and enthalpy, are calculated and compared with computer simulation and empirical results.

Three-dimensional quantitative structure-property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls (PCBs): enthalpy of vaporization.

PubMed

Puri, Swati; Chickos, James S; Welsh, William J

2002-01-01

Three-dimensional Quantitative Structure-Property Relationship (QSPR) models have been derived using Comparative Molecular Field Analysis (CoMFA) to correlate the vaporization enthalpies of a representative set of polychlorinated biphenyls (PCBs) at 298.15 K with their CoMFA-calculated physicochemical properties. Various alignment schemes, such as inertial, as is, and atom fit, were employed in this study. The CoMFA models were also developed using different partial charge formalisms, namely, electrostatic potential (ESP) charges and Gasteiger-Marsili (GM) charges. The most predictive model for vaporization enthalpy (Delta(vap)H(m)(298.15 K)), with atom fit alignment and Gasteiger-Marsili charges, yielded r2 values 0.852 (cross-validated) and 0.996 (conventional). The vaporization enthalpies of PCBs increased with the number of chlorine atoms and were found to be larger for the meta- and para-substituted isomers. This model was used to predict Delta(vap)H(m)(298.15 K) of the entire set of 209 PCB congeners.

Simplified thermodynamic functions for vapor-liquid phase separation and fountain effect pumps

NASA Technical Reports Server (NTRS)

Yuan, S. W. K.; Hepler, W. A.; Frederking, T. H. K.

1984-01-01

He-4 fluid handling devices near 2 K require novel components for non-Newtonian fluid transport in He II. Related sizing of devices has to be based on appropriate thermophysical property functions. The present paper presents simplified equilibrium state functions for porous media components which serve as vapor-liquid phase separators and fountain effect pumps.

Stratospheric water vapor in the NCAR CCM2

NASA Technical Reports Server (NTRS)

Mote, Philip W.; Holton, James R.

1992-01-01

Results are presented of the water vapor distribution in a 3D GCM with good vertical resolution, a state-of-the-art transport scheme, and a realistic water vapor source in the middle atmosphere. In addition to water vapor, the model transported methane and an idealized clock tracer, which provides transport times to and within the middle atmosphere. The water vapor and methane distributions are compared with Nimbus 7 SAMS and LIMS data and with in situ measurements. It is argued that the hygropause in the model is maintained not by 'freeze-drying' at the tops of tropical cumulonimbus, but by a balance between two sources and one sink. Since the southern winter dehydration is unrealistically intense, this balance most likely does not resemble the balance in the real atmosphere.

Transport Properties for Combustion Modeling

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

Brown, N.J.; Bastein, L.; Price, P.N.

This review examines current approximations and approaches that underlie the evaluation of transport properties for combustion modeling applications. Discussed in the review are: the intermolecular potential and its descriptive molecular parameters; various approaches to evaluating collision integrals; supporting data required for the evaluation of transport properties; commonly used computer programs for predicting transport properties; the quality of experimental measurements and their importance for validating or rejecting approximations to property estimation; the interpretation of corresponding states; combination rules that yield pair molecular potential parameters for unlike species from like species parameters; and mixture approximations. The insensitivity of transport properties to intermolecularmore » forces is noted, especially the non-uniqueness of the supporting potential parameters. Viscosity experiments of pure substances and binary mixtures measured post 1970 are used to evaluate a number of approximations; the intermediate temperature range 1 < T* < 10, where T* is kT/{var_epsilon}, is emphasized since this is where rich data sets are available. When suitable potential parameters are used, errors in transport property predictions for pure substances and binary mixtures are less than 5 %, when they are calculated using the approaches of Kee et al.; Mason, Kestin, and Uribe; Paul and Warnatz; or Ern and Giovangigli. Recommendations stemming from the review include (1) revisiting the supporting data required by the various computational approaches, and updating the data sets with accurate potential parameters, dipole moments, and polarizabilities; (2) characterizing the range of parameter space over which the fit to experimental data is good, rather than the current practice of reporting only the parameter set that best fits the data; (3) looking for improved combining rules, since existing rules were found to under-predict the viscosity in most

Atmospheric water vapor transport: Estimation of continental precipitation recycling and parameterization of a simple climate model. M.S. Thesis

NASA Technical Reports Server (NTRS)

Brubaker, Kaye L.; Entekhabi, Dara; Eagleson, Peter S.

1991-01-01

The advective transport of atmospheric water vapor and its role in global hydrology and the water balance of continental regions are discussed and explored. The data set consists of ten years of global wind and humidity observations interpolated onto a regular grid by objective analysis. Atmospheric water vapor fluxes across the boundaries of selected continental regions are displayed graphically. The water vapor flux data are used to investigate the sources of continental precipitation. The total amount of water that precipitates on large continental regions is supplied by two mechanisms: (1) advection from surrounding areas external to the region; and (2) evaporation and transpiration from the land surface recycling of precipitation over the continental area. The degree to which regional precipitation is supplied by recycled moisture is a potentially significant climate feedback mechanism and land surface-atmosphere interaction, which may contribute to the persistence and intensification of droughts. A simplified model of the atmospheric moisture over continents and simultaneous estimates of regional precipitation are employed to estimate, for several large continental regions, the fraction of precipitation that is locally derived. In a separate, but related, study estimates of ocean to land water vapor transport are used to parameterize an existing simple climate model, containing both land and ocean surfaces, that is intended to mimic the dynamics of continental climates.

Ion Transport and Structural Properties of Polymeric Electrolytes and Ionic Liquids from Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Borodin, Oleg

2010-03-01

Molecular dynamics simulations are well suited for exploring electrolyte structure and ion transport mechanisms on the nanometer length scale and the nanosecond time scales. In this presentation we will describe how MD simulations assist in answering fundamental questions about the lithium transport mechanisms in polymeric electrolytes and ionic liquids. In particular, in the first part of the presentation the extent of ion aggregation, the structure of ion aggregates and the lithium cation diffusion in binary polymeric electrolytes will be compared with that of single-ion conducting polymers. In the second part of the talk, the lithium transport in polymeric electrolytes will be compared with that of three ionic liquids ( [emim][FSI] doped with LiFSI , [pyr13][FSI] doped with LiFSI, [emim][BF4] doped with LiBF4). The relation between ionic liquid self-diffusion, conductivity and thermodynamic properties will be discussed in details. A number of correlations between heat of vaporization Hvap, cation-anion binding energy (E+/-), molar volume (Vm), self-diffusion coefficient (D) and ionic conductivity for 29 ionic liquids have been investigated using MD simulations. A significant correlation between D and Hvap has been found, while best correlation was found for -log((D Vm)) vs. Hvap+0.28E+/-. A combination of enthalpy of vaporization and a fraction of the cation-anion binding energy was suggested as a measure of the effective cohesive energy for ionic liquids.

Electrical properties of aluminum-doped zinc oxide (AZO) nanoparticles synthesized by chemical vapor synthesis.

PubMed

Hartner, Sonja; Ali, Moazzam; Schulz, Christof; Winterer, Markus; Wiggers, Hartmut

2009-11-04

Aluminum-doped zinc oxide nanoparticles have been prepared by chemical vapor synthesis, which facilitates the incorporation of a higher percentage of dopant atoms, far above the thermodynamic solubility limit of aluminum. The electrical properties of aluminum-doped and undoped zinc oxide nanoparticles were investigated by impedance spectroscopy. The impedance is measured under hydrogen and synthetic air between 323 and 673 K. The measurements under hydrogen as well as under synthetic air show transport properties depending on temperature and doping level. Under hydrogen atmosphere, a decreasing conductivity with increasing dopant content is observed, which can be explained by enhanced scattering processes due to an increasing disorder in the nanocrystalline material. The temperature coefficient for the doped samples switches from positive temperature coefficient behavior to negative temperature coefficient behavior with increasing dopant concentration. In the presence of synthetic air, the conductivity firstly increases with increasing dopant content by six orders of magnitude. The origin of the increasing conductivity is the generation of free charge carriers upon dopant incorporation. It reaches its maximum at a concentration of 7.7% of aluminum, and drops for higher doping levels. In all cases, the conductivity under hydrogen is higher than under synthetic air and can be changed reversibly by changing the atmosphere.

Genesis, Pathways, and Terminations of Intense Global Water Vapor Transport in Association with Large-Scale Climate Patterns

NASA Astrophysics Data System (ADS)

Sellars, S. L.; Kawzenuk, B.; Nguyen, P.; Ralph, F. M.; Sorooshian, S.

2017-12-01

The CONNected objECT (CONNECT) algorithm is applied to global Integrated Water Vapor Transport data from the NASA's Modern-Era Retrospective Analysis for Research and Applications - Version 2 reanalysis product for the period of 1980 to 2016. The algorithm generates life-cycle records in time and space evolving strong vapor transport events. We show five regions, located in the midlatitudes, where events typically exist (off the coast of the southeast United States, eastern China, eastern South America, off the southern tip of South Africa, and in the southeastern Pacific Ocean). Global statistics show distinct genesis and termination regions and global seasonal peak frequency during Northern Hemisphere late fall/winter and Southern Hemisphere winter. In addition, the event frequency and geographical location are shown to be modulated by the Arctic Oscillation, Pacific North American Pattern, and the quasi-biennial oscillation. Moreover, a positive linear trend in the annual number of objects is reported, increasing by 3.58 objects year-over-year.

Electrification in Hurricanes over the Tropical Americas: Implication for Stratospheric Water Vapor

NASA Technical Reports Server (NTRS)

Pittman, Jasna V.; Chronis, Themis G.; Robertson, Franklin R.; Miller, Timothy L.

2007-01-01

This study explores the relation between lightning activity and water vapor in the Tropical Tropopause Layer (TTL) over hurricane systems in the Tropical Americas. The hypothesis herein is that hurricanes that exhibit enhanced lightning activity are associated with stronger updrafts that can transport more moisture directly into the TTL (and subsequently into the tropical stratosphere) or even directly into the tropical stratosphere over this region. The TTL over the Tropical Americas, which includes the Caribbean and Gulf of Mexico, is of particular interest, because summertime cold point tropopause is the lowest in height and thus the warmest in temperature over the tropics. The latter condition implies higher saturation values and thus potential for more water vapor to enter the stratosphere. Climate forecast is very sensitive to stratospheric water vapor abundance, because of the key role that water vapor plays in regulating the chemical and radiative properties of the stratosphere. Given the potential for increases in hurricane intensity and frequency under predicted warmer conditions, it becomes essential to understand the effect of hurricanes on stratospheric water vapor. In this study, we use a combination of ground and space-borne observations as well as trajectory calculations. The observations include: cloud-to-ground (CG) lightning data from the U.S. National Lightning Detection Network (NLDN), geostationary infrared observations from the National Climatic Data Center Hurricane Satellite (HURSAT) data set, cloud properties from Aqua-MODIS, and water vapor from Aura-MLS. We analyze hurricanes from the 2005 season when Aura-MLS data are available, namely: Dennis, Emily, Katrina, Rita, and Wilma. Our analysis consists of examining CG lightning, cloud-top properties, and TTL water vapor (i.e., 100 and 147 mb) over the hurricane while it remains over water in the Tropical Americas region. We investigate daily as well as diurnal statistical properties. The

Water Vapor Feedbacks to Climate Change

NASA Technical Reports Server (NTRS)

Rind, David

1999-01-01

The response of water vapor to climate change is investigated through a series of model studies with varying latitudinal temperature gradients, mean temperatures, and ultimately, actual climate change configurations. Questions to be addressed include: what role does varying convection have in water vapor feedback; do Hadley Circulation differences result in differences in water vapor in the upper troposphere; and, does increased eddy energy result in greater eddy vertical transport of water vapor in varying climate regimes?

Evaluation of Vapor Pressure and Ultra-High Vacuum Tribological Properties of Ionic Liquids (2) Mixtures and Additives

NASA Technical Reports Server (NTRS)

Morales, Wilfredo; Koch, Victor R.; Street, Kenneth W., Jr.; Richard, Ryan M.

2008-01-01

Ionic liquids are salts, many of which are typically viscous fluids at room temperature. The fluids are characterized by negligible vapor pressures under ambient conditions. These properties have led us to study the effectiveness of ionic liquids containing both organic cations and anions for use as space lubricants. In the previous paper we have measured the vapor pressure and some tribological properties of two distinct ionic liquids under simulated space conditions. In this paper we will present vapor pressure measurements for two new ionic liquids and friction coefficient data for boundary lubrication conditions in a spiral orbit tribometer using stainless steel tribocouples. In addition we present the first tribological data on mixed ionic liquids and an ionic liquid additive. Post mortem infrared and Raman analysis of the balls and races indicates the major degradation pathway for these two organic ionic liquids is similar to those of other carbon based lubricants, i.e. deterioration of the organic structure into amorphous graphitic carbon. The coefficients of friction and lifetimes of these lubricants are comparable to or exceed these properties for several commonly used space oils.

Controllable synthesis and optical properties of novel ZnO cone arrays via vapor transport at low temperature.

PubMed

Han, Xinhai; Wang, Guanzhong; Jie, Jiansheng; Choy, Wallace C H; Luo, Yi; Yuk, T I; Hou, J G

2005-02-24

Novel ZnO cone arrays with controllable morphologies have been synthesized on silicon (100) substrates by thermal evaporation of metal Zn powder at a low temperature of 570 degrees C without a metal catalyst. Clear structure evolutions were observed using scanning electron microscopy: well-aligned ZnO nanocones, double-cones with growing head cones attached by stem cones, and cones with straight hexagonal pillar were obtained as the distance between the source and the substrates was increased. X-ray diffraction shows that all cone arrays grow along the c-axis. Raman and photoluminescence spectra reveal that the optical properties of the buffer layer between the ZnO cone arrays and the silicon substrates are better than those of the ZnO cone arrays due to high concentration of Zn in the heads of the ZnO cone arrays and higher growth temperature of the buffer layer. The growth of ZnO arrays reveals that the cone arrays are synthesized through a self-catalyzed vapor-liquid-solid (VLS) process.

Contactless Growth of ZnSe Single Crystals by Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; George, M. A.; Feth, S.; Lehoczky, S. L.

1998-01-01

ZnSe crystals were grown by self-seeded physical vapor transport (PVT) technique in the horizontal configuration. The source materials were heat treated by H2 reduction to remove the oxide followed by baking under dynamic vacuum to adjust the source composition toward that of congruent sublimation. Contactless growth of ZnSe single crystals have been performed consistently using three different source materials. The crystals grew away from the wall during the later stage of the growth with large (110) facets tend to align parallel to the gravity direction. The Scanning Electron Micrography (SEM) micrographs and the Atomic Force Microscope (AFM) images showed that large (110) terraces and steps dominate the as-grown facets. The measured residual gas pressures in the processed ampoules agree well among various source materials and the major components were CO and H2. No preferred growth direction was found. The one-dimensional diffusion model on the mass flux of a multi-species PVT system was employed to analyze the conditions for contactless growth. The calculated thermal profile for supersaturation is very close to the thermal profile measured inside the empty furnace bore in the region of contactless growth. The effects of convective flows in the vapor phase inside the ampoule on the growth processes are discussed.

VAPOR PRESSURES AND HEATS OF VAPORIZATION OF PRIMARY COAL TARS

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

Eric M. Suuberg; Vahur Oja

1997-07-01

This project had as its main focus the determination of vapor pressures of coal pyrolysis tars. It involved performing measurements of these vapor pressures and from them, developing vapor pressure correlations suitable for use in advanced pyrolysis models (those models which explicitly account for mass transport limitations). This report is divided into five main chapters. Each chapter is a relatively stand-alone section. Chapter A reviews the general nature of coal tars and gives a summary of existing vapor pressure correlations for coal tars and model compounds. Chapter B summarizes the main experimental approaches for coal tar preparation and characterization whichmore » have been used throughout the project. Chapter C is concerned with the selection of the model compounds for coal pyrolysis tars and reviews the data available to us on the vapor pressures of high boiling point aromatic compounds. This chapter also deals with the question of identifying factors that govern the vapor pressures of coal tar model materials and their mixtures. Chapter D covers the vapor pressures and heats of vaporization of primary cellulose tars. Chapter E discusses the results of the main focus of this study. In summary, this work provides improved understanding of the volatility of coal and cellulose pyrolysis tars. It has resulted in new experimentally verified vapor pressure correlations for use in pyrolysis models. Further research on this topic should aim at developing general vapor pressure correlations for all coal tars, based on their molecular weight together with certain specific chemical characteristics i.e. hydroxyl group content.« less

Biodegradation of vapor-phase toluene in unsaturated porous media: Column experiments.

PubMed

Khan, Ali M; Wick, Lukas Y; Harms, Hauke; Thullner, Martin

2016-04-01

Biodegradation of organic chemicals in the vapor phase of soils and vertical flow filters has gained attention as promising approach to clean up volatile organic compounds (VOC). The drivers of VOC biodegradation in unsaturated systems however still remain poorly understood. Here, we analyzed the processes controlling aerobic VOC biodegradation in a laboratory setup mimicking the unsaturated zone above a shallow aquifer. The setup allowed for diffusive vapor-phase transport and biodegradation of three VOC: non-deuterated and deuterated toluene as two compounds of highly differing biodegradability but (nearly) identical physical and chemical properties, and MTBE as (at the applied experimental conditions) non-biodegradable tracer and internal control. Our results showed for toluene an effective microbial degradation within centimeter VOC transport distances despite high gas-phase diffusivity. Degradation rates were controlled by the reactivity of the compounds while oxic conditions were found everywhere in the system. This confirms hypotheses that vadose zone biodegradation rates can be extremely high and are able to prevent the outgassing of VOC to the atmosphere within a centimeter range if compound properties and site conditions allow for sufficiently high degradation rates. Copyright © 2016 Elsevier Ltd. All rights reserved.

On the tungsten single crystal coatings achieved by chemical vapor transportation deposition

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

Shi, J.Q.; Shen, Y.B.; Yao, S.Y.

2016-12-15

The tungsten single crystal has many excellent properties, namely a high melting point, high anti-creeping strength. Chemical vapor transportation deposition (CVTD) is a possible approach to achieve large-sized W single crystals for high-temperature application such as the cathode of a thermionic energy converter. In this work, CVTD W coatings were deposited on the monocrystalline molybdenum substrate (a tube with < 111 > axial crystalline orientation) using WCl{sub 6} as a transport medium. The microstructures of the coatings were investigated by a scanning electron microscope (SEM) and electron backscatter diffraction (EBSD). The as-deposited coatings are hexagonal prisms—rough surfaces perpendicular to with alternating hill-like bulges and pits at the side edges of the prisms, and flat surfaces perpendicular to < 112 > with arc-shaped terraces at the side faces. This can be explained by two-dimensional nucleation -mediated lateral growth model. Some parts of the coatings contain hillocks of an exotic morphology (noted as “abnormal growth”). The authors hypothesize that the abnormal growth is likely caused by the defects of the Mo substrate, which facilitate W nucleation sites, cause orientation difference, and may even form boundaries in the coatings. A dislocation density of 10{sup 6} to 10{sup 7} (counts/cm{sup 2}) was revealed by an etch-pit method and synchrotron X-ray diffraction. As the depositing temperature rises, the dislocation density decreases, and no sub-boundaries are found on samples deposited over 1300 °C, as a result of atom diffusion and dislocation climbing. - Highlights: •The varied growth rate causes the different morphologies of different planes. •The W coating is a single crystal when only single hillocks appear. •The (110) plane tends to have the lowest dislocation density. •The dislocation density tends to decrease as the temperature increases.« less

Experimental investigation of the physical properties of medium and heavy oils, their vaporization and use in explosion engines. Part III

NASA Technical Reports Server (NTRS)

Heinlein, Fritz

1926-01-01

The test equipment for studying the vaporization of heavy and medium oils is described as well as some of the experimental properties explored such as vaporization speed and diffusion coefficient. The experiemtal arrangement is also discussed.

SOIL VAPOR EXTRACTION TECHNOLOGY: REFERENCE HANDBOOK

EPA Science Inventory

Soil vapor extraction (SVE) systems are being used in Increasing numbers because of the many advantages these systems hold over other soil treatment technologies. SVE systems appear to be simple in design and operation, yet the fundamentals governing subsurface vapor transport ar...

Defect related electrical and optical properties of AlN bulk crystals grown by physical vapor transport

NASA Astrophysics Data System (ADS)

Irmscher, Klaus

AlN crystallizes thermodynamically stable in the wurtzite structure and possesses a direct band gap of about 6 eV. It is the ideal substrate for the epitaxial growth of Al-rich AlxGa1-xN films that enable deep ultraviolet (UV) emitters. Appropriate AlN bulk crystals can be grown by physical vapor transport (PVT). Besides high structural perfection, such substrate crystals should be highly UV transparent and ideally, electrically conductive. It is well known that point defects like impurities and intrinsic defects may introduce electronic energy levels within the bandgap, which lead to additional optical absorption or electrical compensation. Among the impurities, which may be incorporated into the AlN crystals during PVT growth at well above 2000 ° C, oxygen, carbon, and silicon play the major role. Based on our own experimental data as well as on experimental and theoretical results reported in literature, we discuss energy levels, charge states and possible negative-U behavior of these impurities and of vacancy-type defects. In particular, we develop a model that explains the absorption behavior of the crystals in dependence on the Fermi level that can be controlled by the growth conditions, including intentional doping. Further, we pay attention on spectroscopic investigations giving direct evidence for the chemical nature and atomic arrangement of the involved point defects. As examples local vibrational mode (LVM) spectroscopy of carbon related defects and recent reports of electron paramagnetic resonance (EPR) spectroscopy are discussed.

Transport of Chemical Vapors from Subsurface Sources to Atmosphere as Affected by Shallow Subsurface and Atmospheric Conditions

NASA Astrophysics Data System (ADS)

Rice, A. K.; Smits, K. M.; Hosken, K.; Schulte, P.; Illangasekare, T. H.

2012-12-01

Understanding the movement and modeling of chemical vapor through unsaturated soil in the shallow subsurface when subjected to natural atmospheric thermal and mass flux boundary conditions at the land surface is of importance to applications such as landmine detection and vapor intrusion into subsurface structures. New, advanced technologies exist to sense chemical signatures at the land/atmosphere interface, but interpretation of these sensor signals to make assessment of source conditions remains a challenge. Chemical signatures are subject to numerous interactions while migrating through the unsaturated soil environment, attenuating signal strength and masking contaminant source conditions. The dominant process governing movement of gases through porous media is often assumed to be Fickian diffusion through the air phase with minimal or no quantification of other processes contributing to vapor migration, such as thermal diffusion, convective gas flow due to the displacement of air, expansion/contraction of air due to temperature changes, temporal and spatial variations of soil moisture and fluctuations in atmospheric pressure. Soil water evaporation and interfacial mass transfer add to the complexity of the system. The goal of this work is to perform controlled experiments under transient conditions of soil moisture, temperature and wind at the land/atmosphere interface and use the resulting dataset to test existing theories on subsurface gas flow and iterate between numerical modeling efforts and experimental data. Ultimately, we aim to update conceptual models of shallow subsurface vapor transport to include conditionally significant transport processes and inform placement of mobile sensors and/or networks. We have developed a two-dimensional tank apparatus equipped with a network of sensors and a flow-through head space for simulation of the atmospheric interface. A detailed matrix of realistic atmospheric boundary conditions was applied in a series of

Water vapor permeability, mechanical, optical and sensorial properties of plasticized guar gumedible films

USDA-ARS?s Scientific Manuscript database

Edible films were prepared by casting method using guar gum and glycerol in different ratios. The concentration of guar gum was 1.0, 1.5 and 2.0% whereas glycerol concentration was 20, 30 and 40% (w/v). The water vapor permeability (WVP), mechanical properties (tensile strength and elongation), thic...

Retrieval of water vapor column abundance and aerosol properties from ChemCam passive sky spectroscopy

NASA Astrophysics Data System (ADS)

McConnochie, Timothy H.; Smith, Michael D.; Wolff, Michael J.; Bender, Steve; Lemmon, Mark; Wiens, Roger C.; Maurice, Sylvestre; Gasnault, Olivier; Lasue, Jeremie; Meslin, Pierre-Yves; Harri, Ari-Matti; Genzer, Maria; Kemppinen, Osku; Martínez, Germán M.; DeFlores, Lauren; Blaney, Diana; Johnson, Jeffrey R.; Bell, James F.

2018-06-01

We derive water vapor column abundances and aerosol properties from Mars Science Laboratory (MSL) ChemCam passive mode observations of scattered sky light. This paper covers the methodology and initial results for water vapor and also provides preliminary results for aerosols. The data set presented here includes the results of 113 observations spanning from Mars Year 31 Ls = 291° (March 30, 2013) to Mars Year 33 Ls= 127° (March 24, 2016). Each ChemCam passive sky observation acquires spectra at two different elevation angles. We fit these spectra with a discrete-ordinates multiple scattering radiative transfer model, using the correlated-k approximation for gas absorption bands. The retrieval proceeds by first fitting the continuum of the ratio of the two elevation angles to solve for aerosol properties, and then fitting the continuum-removed ratio to solve for gas abundances. The final step of the retrieval makes use of the observed CO2 absorptions and the known CO2 abundance to correct the retrieved water vapor abundance for the effects of the vertical distribution of scattering aerosols and to derive an aerosol scale height parameter. Our water vapor results give water vapor column abundance with a precision of ±0.6 precipitable microns and systematic errors no larger than ±0.3 precipitable microns, assuming uniform vertical mixing. The ChemCam-retrieved water abundances show, with only a few exceptions, the same seasonal behavior and the same timing of seasonal minima and maxima as the TES, CRISM, and REMS-H data sets that we compare them to. However ChemCam-retrieved water abundances are generally lower than zonal and regional scale from-orbit water vapor data, while at the same time being significantly larger than pre-dawn REMS-H abundances. Pending further analysis of REMS-H volume mixing ratio uncertainties, the differences between ChemCam and REMS-H pre-dawn mixing ratios appear to be much too large to be explained by large scale circulations and thus

Interactive FORTRAN IV computer programs for the thermodynamic and transport properties of selected cryogens (fluids pack)

NASA Technical Reports Server (NTRS)

Mccarty, R. D.

1980-01-01

The thermodynamic and transport properties of selected cryogens had programmed into a series of computer routines. Input variables are any two of P, rho or T in the single phase regions and either P or T for the saturated liquid or vapor state. The output is pressure, density, temperature, entropy, enthalpy for all of the fluids and in most cases specific heat capacity and speed of sound. Viscosity and thermal conductivity are also given for most of the fluids. The programs are designed for access by remote terminal; however, they have been written in a modular form to allow the user to select either specific fluids or specific properties for particular needs. The program includes properties for hydrogen, helium, neon, nitrogen, oxygen, argon, and methane. The programs include properties for gaseous and liquid states usually from the triple point to some upper limit of pressure and temperature which varies from fluid to fluid.

Homojunction GaAs solar cells grown by close space vapor transport

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

Boucher, Jason W.; Ritenour, Andrew J.; Greenaway, Ann L.

2014-06-08

We report on the first pn junction solar cells grown by homoepitaxy of GaAs using close space vapor transport (CSVT). Cells were grown both on commercial wafer substrates and on a CSVT absorber film, and had efficiencies reaching 8.1%, open circuit voltages reaching 909 mV, and internal quantum efficiency of 90%. The performance of these cells is partly limited by the electron diffusion lengths in the wafer substrates, as evidenced by the improved peak internal quantum efficiency in devices fabricated on a CSVT absorber film. Unoptimized highly-doped n-type emitters also limit the photocurrent, indicating that thinner emitters with reduced doping,more » and ultimately wider band gap window or surface passivation layers, are required to increase the efficiency.« less

Cross‐Saharan transport of water vapor via recycled cold pool outflows from moist convection

PubMed Central

Trzeciak, Tomasz M.; Garcia‐Carreras, Luis

2017-01-01

Abstract Very sparse data have previously limited observational studies of meteorological processes in the Sahara. We present an observed case of convectively driven water vapor transport crossing the Sahara over 2.5 days in June 2012, from the Sahel in the south to the Atlas in the north. A daily cycle is observed, with deep convection in the evening generating moist cold pools that fed the next day's convection; the convection then generated new cold pools, providing a vertical recycling of moisture. Trajectories driven by analyses were able to capture the direction of the transport but not its full extent, particularly at night when cold pools are most active, and analyses missed much of the water content of cold pools. The results highlight the importance of cold pools for moisture transport, dust and clouds, and demonstrate the need to include these processes in models in order to improve the representation of Saharan atmosphere. PMID:28344367

Liquid-vapor phase equilibria and the thermodynamic properties of 2-methylpropanol- n-alkyl propanoate solutions

NASA Astrophysics Data System (ADS)

Suntsov, Yu. K.; Goryunov, V. A.; Chuikov, A. M.; Meshcheryakov, A. V.

2016-08-01

The boiling points of solutions of five binary systems are measured via ebulliometry in the pressure range of 2.05-103.3 kPa. Equilibrium vapor phase compositions, the values of the excess Gibbs energies, enthalpies, and entropies of solution of these systems are calculated. Patterns in the changes of phase equilibria and thermodynamic properties of solutions are established, depending on the compositions and temperatures of the systems. Liquid-vapor equilibria in the systems are described using the equations of Wilson and the NRTL (Non-Random Two-Liquid Model).

Vapor pressures, thermodynamic stability, and fluorescence properties of three 2,6-alkyl naphthalenes.

PubMed

Santos, Ana Filipa L O M; Oliveira, Juliana A S A; Ribeiro da Silva, Maria D M C; Monte, Manuel J S

2016-03-01

This work reports the experimental determination of relevant thermodynamic properties and the characterization of luminescence properties of the following polycyclic aromatic hydrocarbons (PAHs): 2,6-diethylnaphthalene, 2,6-diisopropylnaphthalene and 2,6-di-tert-butylnaphthalene. The standard (p(o) = 0.1 MPa) molar enthalpies of combustion, ΔcHm(o), of the three compounds were determined using static bomb combustion calorimetry. The vapor pressures of the crystalline phase of 2,6-diisopropylnaphthalene and 2,6-di-tert-butylnaphthalene were measured at different temperatures using the Knudsen effusion method and the vapor pressures of both liquid and crystalline phases of 2,6-diethylnaphthalene were measured by means of a static method. The temperatures and the molar enthalpies of fusion of the three compounds were determined using differential scanning calorimetry. The gas-phase molar heat capacities and absolute entropies of the three 2,6-dialkylnaphthalenes studied were determined computationally. The thermodynamic stability of the compounds in both the crystalline and gaseous phases was evaluated by the determination of the Gibbs energies of formation and compared with the ones reported in the literature for 2,6-dimethylnaphthalene. From fluorescence spectroscopy measurements, the optical properties of the compounds studied and of naphthalene were evaluated in solution and in the solid state. Copyright © 2015 Elsevier Ltd. All rights reserved.

DOE/DOE Tight Oil Flammability & Transportation Spill Safety

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

Lord, David L.

2014-12-01

This presentation describes crude oils, their phase behavior, the SPR vapor pressure program, and presents data comparisons from various analytical techniques. The overall objective is to describe physical properties of crude oil relevant to flammability and transport safety

Organic solar cells with graphene electrodes and vapor printed poly(3,4-ethylenedioxythiophene) as the hole transporting layers.

PubMed

Park, Hyesung; Howden, Rachel M; Barr, Miles C; Bulović, Vladimir; Gleason, Karen; Kong, Jing

2012-07-24

For the successful integration of graphene as a transparent conducting electrode in organic solar cells, proper energy level alignment at the interface between the graphene and the adjacent organic layer is critical. The role of a hole transporting layer (HTL) thus becomes more significant due to the generally lower work function of graphene compared to ITO. A commonly used HTL material with ITO anodes is poly(3,4-ethylenedioxythiophene) (PEDOT) with poly(styrenesulfonate) (PSS) as the solid-state dopant. However, graphene's hydrophobic surface renders uniform coverage of PEDOT:PSS (aqueous solution) by spin-casting very challenging. Here, we introduce a novel, yet simple, vapor printing method for creating patterned HTL PEDOT layers directly onto the graphene surface. Vapor printing represents the implementation of shadow masking in combination with oxidative chemical vapor deposition (oCVD). The oCVD method was developed for the formation of blanket (i.e., unpatterened) layers of pure PEDOT (i.e., no PSS) with systematically variable work function. In the unmasked regions, vapor printing produces complete, uniform, smooth layers of pure PEDOT over graphene. Graphene electrodes were synthesized under low-pressure chemical vapor deposition (LPCVD) using a copper catalyst. The use of another electron donor material, tetraphenyldibenzoperiflanthene, instead of copper phthalocyanine in the organic solar cells also improves the power conversion efficiency. With the vapor printed HTL, the devices using graphene electrodes yield comparable performances to the ITO reference devices (η(p,LPCVD) = 3.01%, and η(p,ITO) = 3.20%).

Zno Micro/Nanostructures Grown on Sapphire Substrates Using Low-Temperature Vapor-Trapped Thermal Chemical Vapor Deposition: Structural and Optical Properties.

PubMed

Hu, Po-Sheng; Wu, Cheng-En; Chen, Guan-Lin

2017-12-21

In this research, the Zn(C₅H₇O₂)₂·xH₂O-based growth of ZnO micro/nanostructures in a low temperature, vapor-trapped chemical vapor deposition system was attempted to optimize structural and optical properties for potential biomedical applications. By trapping in-flow gas molecules and Zinc vapor inside a chamber tube by partially obstructing a chamber outlet, a high pressure condition can be achieved, and this experimental setup has the advantages of ease of synthesis, being a low temperature process, and cost effectiveness. Empirically, the growth process proceeded under a chamber condition of an atmospheric pressure of 730 torr, a controlled volume flow rate of input gas, N₂/O₂, of 500/500 Standard Cubic Centimeters per Minute (SCCM), and a designated oven temperature of 500 °C. Specifically, the dependence of structural and optical properties of the structures on growth duration and spatially dependent temperature were investigated utilizing scanning electron microscopy, X-ray diffraction (XRD), photoluminescence (PL), and ultraviolet-visible transmission spectroscopy. The experimental results indicate that the grown thin film observed with hexagonal structures and higher structural uniformity enables more prominent structural and optical signatures. XRD spectra present the dominant peaks along crystal planes of (002) and (101) as the main direction of crystallization. In addition, while the structures excited with laser wavelength of 325 nm emit a signature radiation around 380 nm, an ultraviolet lamp with a wavelength of 254 nm revealed distinctive photoluminescence peaks at 363.96 nm and 403.52 nm, elucidating different degrees of structural correlation as functions of growth duration and the spatial gradient of temperature. Transmittance spectra of the structures illustrate typical variation in the wavelength range of 200 nm to 400 nm, and its structural correlation is less significant when compared with PL.

Zno Micro/Nanostructures Grown on Sapphire Substrates Using Low-Temperature Vapor-Trapped Thermal Chemical Vapor Deposition: Structural and Optical Properties

PubMed Central

Hu, Po-Sheng; Wu, Cheng-En; Chen, Guan-Lin

2017-01-01

In this research, the Zn(C5H7O2)2·xH2O-based growth of ZnO micro/nanostructures in a low temperature, vapor-trapped chemical vapor deposition system was attempted to optimize structural and optical properties for potential biomedical applications. By trapping in-flow gas molecules and Zinc vapor inside a chamber tube by partially obstructing a chamber outlet, a high pressure condition can be achieved, and this experimental setup has the advantages of ease of synthesis, being a low temperature process, and cost effectiveness. Empirically, the growth process proceeded under a chamber condition of an atmospheric pressure of 730 torr, a controlled volume flow rate of input gas, N2/O2, of 500/500 Standard Cubic Centimeters per Minute (SCCM), and a designated oven temperature of 500 °C. Specifically, the dependence of structural and optical properties of the structures on growth duration and spatially dependent temperature were investigated utilizing scanning electron microscopy, X-ray diffraction (XRD), photoluminescence (PL), and ultraviolet-visible transmission spectroscopy. The experimental results indicate that the grown thin film observed with hexagonal structures and higher structural uniformity enables more prominent structural and optical signatures. XRD spectra present the dominant peaks along crystal planes of (002) and (101) as the main direction of crystallization. In addition, while the structures excited with laser wavelength of 325 nm emit a signature radiation around 380 nm, an ultraviolet lamp with a wavelength of 254 nm revealed distinctive photoluminescence peaks at 363.96 nm and 403.52 nm, elucidating different degrees of structural correlation as functions of growth duration and the spatial gradient of temperature. Transmittance spectra of the structures illustrate typical variation in the wavelength range of 200 nm to 400 nm, and its structural correlation is less significant when compared with PL. PMID:29267196

Investigation of diamond deposition by chemical vapor transport with hydrogen

NASA Astrophysics Data System (ADS)

Piekarczyk, Wladyslaw; Messier, Russell F.; Roy, Rustum; Engdahl, Chris

1990-12-01

The carbon-hydrogen chemical vapor transport system was examined in accordance with a four-stage transport model. A result of this examination is that graphite co-deposition could be avoided when diamond is deposited from gas solutions under-saturated with respect to diamond. Actual deposition experiments showed that this unusual requirement can be fulfilled but only for the condition that the transport distance between the carbon source and the substrate surface is short. In such a case diamond can be deposited equally from super-saturated as well as from under-saturated gas solutions. On the basis of thermodynamic considerations a possible explanation of this unusual phenomenon is given. It is shown that there is a possibility of deposition of diamond from both super-saturated as well as under-saturated gas solutions but only on the condition that they are in a non-equilibrium state generally called the activated state. A model of the diamond deposition process consisting of two steps is proposed. In the first step diamond and graphite are deposited simultaneously. The most important carbon deposition reaction is C2H2(g) + 2 H(g) C(diamond graphite) + CH(g). The amount of co-deposited graphite is not a direct function of the saturation state of the gas phase. In the second step graphite is etched according to the most probable reaction C(graphite) + 4 H(g) CH4(g). Atomic hydrogen in a super-equilibrium concentration is necessary not only to etch graphite but also to precipitate and graphite. 1.

Effect of ribbon width on electrical transport properties of graphene nanoribbons

NASA Astrophysics Data System (ADS)

Bang, Kyuhyun; Chee, Sang-Soo; Kim, Kangmi; Son, Myungwoo; Jang, Hanbyeol; Lee, Byoung Hun; Baik, Kwang Hyeon; Myoung, Jae-Min; Ham, Moon-Ho

2018-03-01

There has been growing interest in developing nanoelectronic devices based on graphene because of its superior electrical properties. In particular, patterning graphene into a nanoribbon can open a bandgap that can be tuned by changing the ribbon width, imparting semiconducting properties. In this study, we report the effect of ribbon width on electrical transport properties of graphene nanoribbons (GNRs). Monolayer graphene sheets and Si nanowires (NWs) were prepared by chemical vapor deposition and a combination of nanosphere lithography and metal-assisted electroless etching from a Si wafer, respectively. Back-gated GNR field-effect transistors were fabricated on a heavily p-doped Si substrate coated with a 300 nm-thick SiO2 layer, by O2 reactive ion etching of graphene sheets using etch masks based on Si NWs aligned on the graphene between the two electrodes by a dielectrophoresis method. This resulted in GNRs with various widths in a highly controllable manner, where the on/off current ratio was inversely proportional to ribbon width. The field-effect mobility decreased with decreasing GNR widths due to carrier scattering at the GNR edges. These results demonstrate the formation of a bandgap in GNRs due to enhanced carrier confinement in the transverse direction and edge effects when the GNR width is reduced.

Influence of longer dry seasons in the Southern Amazon on patterns of water vapor transport over northern South America and the Caribbean

NASA Astrophysics Data System (ADS)

Agudelo, Jhoana; Arias, Paola A.; Vieira, Sara C.; Martínez, J. Alejandro

2018-06-01

Several studies have identified a recent lengthening of the dry season over the southern Amazon during the last three decades. Some explanations to this lengthening suggest the influence of changes in the regional circulation over the Atlantic and Pacific oceans, whereas others point to the influence of vegetation changes over the Amazon rainforest. This study aims to understand the implications of more frequent long dry seasons in this forest on atmospheric moisture transport toward northern South America and the Caribbean region. Using a semi-Langrangian model for water vapor tracking, results indicate that longer dry seasons in the southern Amazon relate to reductions of water vapor content over the southern and eastern Amazon basin, due to significant reductions of evaporation and recycled precipitation rates in these regions, especially during the transition from dry to wet conditions in the southern Amazon. On the other hand, longer dry seasons also relate to enhanced atmospheric moisture content over the Caribbean and northern South America regions, mainly due to increased contributions of water vapor from oceanic regions and the increase of surface moisture convergence over the equatorial region. This highlights the importance of understanding the relative role of regional circulation and local surface conditions on modulating water vapor transport toward continental regions.

Water vapor barrier and sorption properties of edible films from pullulan and rice wax.

USDA-ARS?s Scientific Manuscript database

Edible films were prepared by using various ratios of pullulan and rice wax. Freestanding composite films were obtained with up to 46.4% rice wax. Water vapor barrier properties of the film were improved with increased addition of rice wax. Moisture sorption isotherms were also studied to examine...

The Relation between Vaporization Enthalpies and Viscosities: Eyring's Theory Applied to Selected Ionic Liquids.

PubMed

Bonsa, Anne-Marie; Paschek, Dietmar; Zaitsau, Dzmitry H; Emel'yanenko, Vladimir N; Verevkin, Sergey P; Ludwig, Ralf

2017-05-19

Key properties for the use of ionic liquids as electrolytes in batteries are low viscosities, low vapor pressure and high vaporization enthalpies. Whereas the measurement of transport properties is well established, the determination of vaporization enthalpies of these extremely low volatile compounds is still a challenge. At a first glance both properties seem to describe different thermophysical phenomena. However, eighty years ago Eyring suggested a theory which related viscosities and vaporization enthalpies to each other. The model is based on Eyring's theory of absolute reaction rates. Recent attempts to apply Eyring's theory to ionic liquids failed. The motivation of our study is to show that Eyring's theory works, if the assumptions specific for ionic liquids are fulfilled. For that purpose we measured the viscosities of three well selected protic ionic liquids (PILs) at different temperatures. The temperature dependences of viscosities were approximated by the Vogel-Fulcher-Tamann (VFT) relation and extrapolated to the high-temperature regime up to 600 K. Then the VFT-data could be fitted to the Eyring-model. The values of vaporization enthalpies for the three selected PILs predicted by the Eyring model have been very close to the experimental values measured by well-established techniques. We conclude that the Eyring theory can be successfully applied to the chosen set of PILs, if the assumption that ionic pairs of the viscous flow in the liquid and the ionic pairs in the gas phase are similar is fulfilled. It was also noticed that proper transfer of energies can be only derived if the viscosities and the vaporization energies are known for temperatures close to the liquid-gas transition temperature. The idea to correlate easy measurable viscosities of ionic liquids with their vaporization enthalpies opens a new way for a reliable assessment of these thermodynamic properties for a broad range of ionic liquids. © 2017 Wiley-VCH Verlag GmbH & Co. KGa

Long-term stable water vapor permeation barrier properties of SiN/SiCN/SiN nanolaminated multilayers grown by plasma-enhanced chemical vapor deposition at extremely low pressures

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

Choi, Bum Ho, E-mail: bhchoi@kitech.re.kr; Lee, Jong Ho

2014-08-04

We investigated the water vapor permeation barrier properties of 30-nm-thick SiN/SiCN/SiN nanolaminated multilayer structures grown by plasma enhanced chemical vapor deposition at 7 mTorr. The derived water vapor transmission rate was 1.12 × 10{sup −6} g/(m{sup 2} day) at 85 °C and 85% relative humidity, and this value was maintained up to 15 000 h of aging time. The X-ray diffraction patterns revealed that the nanolaminated film was composed of an amorphous phase. A mixed phase was observed upon performing high resolution transmission electron microscope analysis, which indicated that a thermodynamically stable structure was formed. It was revealed amorphous SiN/SiCN/SiN multilayer structures that are freemore » from intermixed interface defects effectively block water vapor permeation into active layer.« less

Influence of water vapor on the electronic property of MoS2 field effect transistors.

PubMed

Shu, Jiapei; Wu, Gongtao; Gao, Song; Liu, Bo; Wei, Xianlong; Chen, Qing

2017-05-19

The influence of water vapor on the electronic property of MoS 2 field effect transistors (FETs) is studied through controlled experiments. We fabricate supported and suspended FETs on the same piece of MoS 2 to figure out the role of SiO 2 substrate on the water sensing property of MoS 2 . The two kinds of devices show similar response to water vapor and to different treatments, such as pumping in the vacuum, annealing at 500 K and current annealing, indicating the substrate does not play an important role in the MoS 2 water sensor. Water adsorption is found to decrease the carrier mobility probably through introducing a scattering center on the surface of MoS 2 . The threshold voltage and subthreshold swing of the FETs do not change obviously after introducing water vapor, indicating there is no obvious doping and trap introducing effects. Long time pumping in a high vacuum and 500 K annealing show negligible effects on removing the water adsorption on the devices. Current annealing at high source-drain bias is found to be able to remove the water adsorption and set the FETs to their initial states. The mechanism is proposed to be through the hot carriers at high bias.

The control of purity and stoichiometry of compound semiconductors by high vapor pressure transport

NASA Technical Reports Server (NTRS)

Bachmann, Klaus J.; Ito, Kazufumi; Scroggs, Jeffery S.; Tran, Hien T.

1995-01-01

In this report we summarize the results of a three year research program on high pressure vapor transport (HPVT) of compound semiconductors. Most of our work focused onto pnictides, in particular ZnGeP2, as a model system. Access to single crystals of well controlled composition of this material is desired for advancing the understanding and control of its point defect chemistry in the contest of remote, real-time sensing of trace impurities, e.g., greenhouse gases, in the atmosphere by ZnGeP2 optical parametric oscillators (OPO's).

Analyses on Water Vapor Resource in Chengdu City

NASA Astrophysics Data System (ADS)

Liu, B.; Xiao, T.; Wang, C.; Chen, D.

2017-12-01

Chengdu is located in the Sichuan basin, and it is the most famous inland city in China. With suitable temperatures and rainfall, Chengdu is the most livable cities in China. With the development of urban economy and society, the population has now risen to 16 million, and it will up to 22 million in 2030. This will cause the city water resources demand, and the carrying capacity of water resources become more and more serious. In order to improve the contradiction between urban waterlogging and water shortage, sponge city planning was proposed by Chengdu government, and this is of great practical significance for promoting the healthy development of the city. Base on the reanalysis data from NCEP during 2007-2016, the characters of Water Vapor Resources was analyzed, and the main contents of this research are summarized as follows: The water vapor resource in Chengdu plain is more than that in Southeast China and less in Northwest China. The annual average water vapor resource is approximately 160 mm -320 mm, and the water vapor resource in summer can reach 3 times in winter. But the annual average precipitation in Chengdu is about 800 mm -1200 mm and it is far greater than the water vapor resource, this is because of the transport of water vapor. Using the formula of water vapor flux, the water vapor in Chengdu is comes from the west and the south, and the value is around 50kg/(ms). Base on the calculation of boundary vapor budget, the water vapor transport under 500hPa accounted for 97% of the total. Consider the water vapor transport, transformation and urban humidification effect, the Water Vapor Resource in Chengdu is 2500mm, and it can be used by artificial precipitation enhancement. Therefore, coordinated development of weather modification and sponge city construction, the shortage of water resources in Chengdu plain can be solved. Key words: Chengdu; Sponge city; Water vapor resource; Precipitation; Artificial precipitation enhancement Acknowledgements

Simultaneous in situ Optical Monitoring Techniques during Crystal Growth of ZnSe by Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Su, C.- H.; Feth, S.; Lehoczky, S. L.

1998-01-01

ZnSe crystals grown in sealed ampoules by the physical vapor transport method were monitored in situ using three techniques, simultaneously. A Michelson interferometer was set-up to observe the growth rate and surface morphological evolution. An interference pattern (interferogram) is formed by the interaction between the reflection of a HeNe laser (632.8 nm wavelength) off the crystal-vapor interface and a reference beam from the same laser. Preliminary results indicate that the rate of growth/thermal-etching can be calculated using analog data acquisition and simple fringe counting techniques. Gross surface features may also be observed using a digital frame grabber and fringe analysis software. The second in situ technique uses optical absorption to determine the partial pressures of the vapor species. The Se2 and Zn vapor species present in the sealed ampoule absorb light at characteristic wavelengths. The optical absorption is determined by monitoring the light intensity difference between the sample and reference beams. The Se2 Partial pressure profile along the length of the ampoule was estimated from the vibronic absorption peaks at 340.5, 350.8, 361.3 and 379.2 nm using the Beer's law constants established in the calibration runs of pure Se. Finally, because the high temperature crystal growth furnace contains windows, in situ visual observation of the growing crystal is also possible. The use of these techniques not only permits in situ investigation of high temperature vapor growth of semiconductors, but also offers the potential for real time feed back on the growing crystal and allows the possibility of actively controlling the growth process.

Retrieval of water vapor column abundance and aerosol properties from ChemCam passive sky spectroscopy

DOE PAGES

McConnochie, Timothy H.; Smith, Michael D.; Wolff, Michael J.; ...

2017-11-03

In this work, we derive water vapor column abundances and aerosol properties from Mars Science Laboratory (MSL) ChemCam passive mode observations of scattered sky light. This paper covers the methodology and initial results for water vapor and also provides preliminary results for aerosols. The data set presented here includes the results of 113 observations spanning from Mars Year 31 L s = 291° (March 30, 2013) to Mars Year 33 L s= 127° (March 24, 2016). Each ChemCam passive sky observation acquires spectra at two different elevation angles. We fit these spectra with a discrete-ordinates multiple scattering radiative transfer model,more » using the correlated-k approximation for gas absorption bands. The retrieval proceeds by first fitting the continuum of the ratio of the two elevation angles to solve for aerosol properties, and then fitting the continuum-removed ratio to solve for gas abundances. The final step of the retrieval makes use of the observed CO 2 absorptions and the known CO 2 abundance to correct the retrieved water vapor abundance for the effects of the vertical distribution of scattering aerosols and to derive an aerosol scale height parameter. Our water vapor results give water vapor column abundance with a precision of ±0.6 precipitable microns and systematic errors no larger than ±0.3 precipitable microns, assuming uniform vertical mixing. The ChemCam-retrieved water abundances show, with only a few exceptions, the same seasonal behavior and the same timing of seasonal minima and maxima as the TES, CRISM, and REMS-H data sets that we compare them to. However ChemCam-retrieved water abundances are generally lower than zonal and regional scale from-orbit water vapor data, while at the same time being significantly larger than pre-dawn REMS-H abundances. Pending further analysis of REMS-H volume mixing ratio uncertainties, the differences between ChemCam and REMS-H pre-dawn mixing ratios appear to be much too large to be explained by large

Retrieval of water vapor column abundance and aerosol properties from ChemCam passive sky spectroscopy

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

McConnochie, Timothy H.; Smith, Michael D.; Wolff, Michael J.

In this work, we derive water vapor column abundances and aerosol properties from Mars Science Laboratory (MSL) ChemCam passive mode observations of scattered sky light. This paper covers the methodology and initial results for water vapor and also provides preliminary results for aerosols. The data set presented here includes the results of 113 observations spanning from Mars Year 31 L s = 291° (March 30, 2013) to Mars Year 33 L s= 127° (March 24, 2016). Each ChemCam passive sky observation acquires spectra at two different elevation angles. We fit these spectra with a discrete-ordinates multiple scattering radiative transfer model,more » using the correlated-k approximation for gas absorption bands. The retrieval proceeds by first fitting the continuum of the ratio of the two elevation angles to solve for aerosol properties, and then fitting the continuum-removed ratio to solve for gas abundances. The final step of the retrieval makes use of the observed CO 2 absorptions and the known CO 2 abundance to correct the retrieved water vapor abundance for the effects of the vertical distribution of scattering aerosols and to derive an aerosol scale height parameter. Our water vapor results give water vapor column abundance with a precision of ±0.6 precipitable microns and systematic errors no larger than ±0.3 precipitable microns, assuming uniform vertical mixing. The ChemCam-retrieved water abundances show, with only a few exceptions, the same seasonal behavior and the same timing of seasonal minima and maxima as the TES, CRISM, and REMS-H data sets that we compare them to. However ChemCam-retrieved water abundances are generally lower than zonal and regional scale from-orbit water vapor data, while at the same time being significantly larger than pre-dawn REMS-H abundances. Pending further analysis of REMS-H volume mixing ratio uncertainties, the differences between ChemCam and REMS-H pre-dawn mixing ratios appear to be much too large to be explained by large

Origin of sulfide replacement textures in lunar breccias. Implications for vapor element transport in the lunar crust

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

Shearer, C.K.; Burger, P.V.; Guan, Y.

Lunar samples 67016,294, 67915,150, and 67016,297 represent clasts of Mg-suite and ferroan anorthosite lithologies that have interacted with a S-rich vapor. Numerous studies have speculated on the composition and source of these 'fluids', their capability for the transport of vapor-mobilized elements, and the scale and environment under which these types of process occurred. These models all assumed a Moon with a very 'dry' mantle, crust, and surface. The olivine in these lithologies is partially to totally replaced by troilite and low-Ca pyroxene. The troilite makes up 30-54 vol% of the troilite + low-Ca pyroxene pseudomorphs after olivine. Other silicates andmore » oxides in the assemblages have experienced post-magmatic reequilibration (pyroxene exsolution, recrystallization, 'exsolution' of ilmenite in spinel). The troilite also occurs in veins cross cutting individual phases and metamorphic textures. The sulfide veining and replacement features are restricted to individual clasts and do not cut across the matrix surrounding the clasts, and thus predate the breccia-forming event. The proportion of troilite to low-Ca pyroxene and silicate chemistries indicate that simple reactions (such as olivine + S{sub 2} {leftrightarrow} low-Ca pyroxene + troilite + O{sub 2}) do not adequately represent the replacement process. The sulfides have compositions that are similar to those found in mare basalts. In particular, the sulfides generally are enriched in Co relative to Ni. Exsolution of Ni-Co-Cu in the sulfides is distinctly different between the breccias and mare basalts and suggests a different cooling or crystallization (melt versus vapor) history. The sulfur isotopic composition of the vein and replacement troilite ranges from approximately {delta}{sup 34}S = -1.0{per_thousand} to -3.3{per_thousand}. Based on our observations, it appears that the model suggested by Norman et al. (1995) is the most appropriate for the origin of the troilite veining and troilite

Halide-oxide carbon vapor transport of ZnO: Novel approach for unseeded growth of single crystals with controllable growth direction

NASA Astrophysics Data System (ADS)

Colibaba, G. V.

2018-05-01

The thermodynamic analysis of using HCl + CO gas mixture as a chemical vapor transport agent (TA) for ZnO single crystal growth in closed ampoules, including 11 chemical species, is carried out for wide temperature and loaded TA pressure ranges. The advantages of HCl + CO TA for faster and more stable growth are shown theoretically in comparison with HCl, HCl + H2 and CO. The influence of the growth temperature, of the TA density, of the HCl/CO ratio, and of the undercooling on the ZnO mass transport rate was investigated theoretically and experimentally. The HCl/CO ratios favorable for the growth of m planes and (0001)Zn surface were found. It was shown that HCl + CO TA provides: (i) a rather high growth rate (up to 1.5 mm per day); (ii) a decrease of wall adhesion effect and an etch pit density down to 103 cm-2; (iii) a minimization of growth nucleus quantity down to 1; (iv) stable unseeded growth of the high crystalline quality large single crystals with a controllable preferred growth direction. The characterization by the photoluminescence spectra, the transmission spectra and the electrical properties are analyzed.

Role of chalcogen vapor annealing in inducing bulk superconductivity in Fe 1+yTe 1-xSe x [How does annealing in chalcogen vapor induce superconductivity in Fe 1+yTe -xSe x?

DOE PAGES

Lin, Wenzhi; Ganesh, P.; Gianfrancesco, Anthony; ...

2015-02-27

Recent investigations have shown that Fe 1+yTe 1-xSe x can be made superconducting by annealing it in Se and O vapors. The current lore is that these chalcogen vapors induce superconductivity by removing the magnetic excess Fe atoms. To investigate this phenomenon we performed a combination of magnetic susceptibility, specific heat and transport measurements together with scanning tunneling microscopy and spectroscopy and density functional theory calculations on Fe 1+yTe 1-xSe x treated with Te vapor. We conclude that the main role of the Te vapor is to quench the magnetic moments of the excess Fe atoms by forming FeTe mmore » (m ≥ 1) complexes. We show that the remaining FeTe m complexes are still damaging to the superconductivity and therefore that their removal potentially could further improve superconductive properties in these compounds.« less

TRANSPORT PROPERTY MEASUREMENTS OF HFC-236EA

EPA Science Inventory

The report gives results of an evaluation of transport properties of 1,1,1,2,3,3,-hexafluoropropane (HFC-236ea), with liquid viscosity and thermal conductivity being the two main transport properties of interest. In addition, the specific heat and density of refrigerant/lubrican...

Electronic Transport in Ultrathin Heterostructures.

DTIC Science & Technology

1981-10-01

heterostructures, superlattices, diffusion-enhanced disorder, transport properties, molecular beam epitaxy (MBE), photoluminescence, optical absorption...tion of single and multilayer GatlAs/GaAs heterostructures by metalorganic chemical vapor deposition (MJCVD) and molecular beam epitaxy (MBE) has...fundamental nature of these clusters and their relevance to other epitaxial techniques such as molecular beam epitaxy (MBE). To further varify or

Electronic transport properties of nanostructured MnSi-films

NASA Astrophysics Data System (ADS)

Schroeter, D.; Steinki, N.; Scarioni, A. Fernández; Schumacher, H. W.; Süllow, S.; Menzel, D.

2018-05-01

MnSi, which crystallizes in the cubic B20 structure, shows intriguing magnetic properties involving the existence of skyrmions in the magnetic phase diagram. Bulk MnSi has been intensively investigated and thoroughly characterized, in contrast to MnSi thin film, which exhibits widely varying properties in particular with respect to electronic transport. In this situation, we have set out to reinvestigate the transport properties in MnSi thin films by means of studying nanostructure samples. In particular, Hall geometry nanostructures were produced to determine the intrinsic transport properties.

Thermodynamic Properties of Nitrogen Including Liquid and Vapor Phases from 63K to 2000K with Pressures to 10,000 Bar

NASA Technical Reports Server (NTRS)

Jacobsen, Richard T.; Stewart, Richard B.

1973-01-01

Tables of thermodynamic properties of nitrogen are presented for the liquid and vapor phases for temperatures from the freezing line to 2000K and pressures to 10,000 bar. The tables include values of density, internal energy, enthalpy, entropy, isochoric heat capacity, isobaric heat capacity velocity of sound, the isotherm derivative, and the isochor derivative. The thermodynamic property tables are based on an equation of state, P=P (p,T), which accurately represents liquid and gaseous nitrogen for the range of pressures and temperatures covered by the tables. Comparisons of property values calculated from the equation of state with measured values for P-p-T, heat capacity, enthalpy, latent heat, and velocity of sound are included to illustrate the agreement between the experimental data and the tables of properties presented here. The coefficients of the equation of state were determined by a weighted least squares fit to selected P-p-T data and, simultaneously, to isochoric heat capacity data determined by corresponding states analysis from oxygen data, and to data which define the phase equilibrium criteria for the saturated liquid and the saturated vapor. The vapor pressure equation, melting curve equation, and an equation to represent the ideal gas heat capacity are also presented. Estimates of the accuracy of the equation of state, the vapor pressure equation, and the ideal gas heat capacity equation are given. The equation of state, derivatives of the equation, and the integral functions for calculating derived thermodynamic properties are included.

Transport Optical and Magnetic Properties of Solids.

DTIC Science & Technology

Solid state physics, Band theory of solids, Semiconductors, Strontium compounds, Superconductors, Magnetic properties, Chalcogens, Transport properties, Optical properties, Bibliographies, Scientific research, Magnons

Nonradiative transport of atomic excitation in Na vapor

NASA Astrophysics Data System (ADS)

Zajonc, Arthur G.; Phelps, A. V.

1981-05-01

Measurements are reported which show the effect of nonradiative losses at a gas-window interface on the backscattered fluorescence intensity for Na vapor at frequencies in the vicinity of the resonance lines near 589 nm. The Na 3P12,32 states are excited with a low-intensity single-mode tunable dye laser at high Na densities and the frequency integral of the backscattered fluorescence intensity in the D1 and D2 lines is measured. As the laser is tuned through resonance, the loss of atomic excitation to the window appears as a sharp decrease in the frequency-integrated fluorescence intensity. For example, at 7×1020 atoms m-3 the fluorescence intensity decreases by a factor of 4 in a frequency interval of 4 GHz. Measured absolute fluorescence intensities versus laser frequency are compared with predictions made using the theory of Hummer and Kunasz which includes both radiative and nonradiative transport processes. The agreement between theory and experiment is remarkably good when one considers that the theory contains only one unknown coefficient, i.e., the reflection coefficient for excited atoms at the windows. In our case the excited atoms are assumed to be completely destroyed at the window.

Explosive vapor detection payload for small robots

NASA Astrophysics Data System (ADS)

Stimac, Phil J.; Pettit, Michael; Wetzel, John P.; Haas, John W.

2013-05-01

Detection of explosive hazards is a critical component of enabling and improving operational mobility and protection of US Forces. The Autonomous Mine Detection System (AMDS) developed by the US Army RDECOM CERDEC Night Vision and Electronic Sensors Directorate (NVESD) is addressing this challenge for dismounted soldiers. Under the AMDS program, ARA has developed a vapor sampling system that enhances the detection of explosive residues using commercial-off-the-shelf (COTS) sensors. The Explosives Hazard Trace Detection (EHTD) payload is designed for plug-and-play installation and operation on small robotic platforms, addressing critical Army needs for more safely detecting concealed or exposed explosives in areas such as culverts, walls and vehicles. In this paper, we describe the development, robotic integration and performance of the explosive vapor sampling system, which consists of a sampling "head," a vapor transport tube and an extendable "boom." The sampling head and transport tube are integrated with the boom, allowing samples to be collected from targeted surfaces up to 7-ft away from the robotic platform. During sample collection, an IR lamp in the sampling head is used to heat a suspected object/surface and the vapors are drawn through the heated vapor transport tube to an ion mobility spectrometer (IMS) for detection. The EHTD payload is capable of quickly (less than 30 seconds) detecting explosives such as TNT, PETN, and RDX at nanogram levels on common surfaces (brick, concrete, wood, glass, etc.).

Chemical vapor deposition modeling for high temperature materials

NASA Technical Reports Server (NTRS)

Gokoglu, Suleyman A.

1992-01-01

The formalism for the accurate modeling of chemical vapor deposition (CVD) processes has matured based on the well established principles of transport phenomena and chemical kinetics in the gas phase and on surfaces. The utility and limitations of such models are discussed in practical applications for high temperature structural materials. Attention is drawn to the complexities and uncertainties in chemical kinetics. Traditional approaches based on only equilibrium thermochemistry and/or transport phenomena are defended as useful tools, within their validity, for engineering purposes. The role of modeling is discussed within the context of establishing the link between CVD process parameters and material microstructures/properties. It is argued that CVD modeling is an essential part of designing CVD equipment and controlling/optimizing CVD processes for the production and/or coating of high performance structural materials.

An Interpolation Method for Obtaining Thermodynamic Properties Near Saturated Liquid and Saturated Vapor Lines

NASA Technical Reports Server (NTRS)

Nguyen, Huy H.; Martin, Michael A.

2004-01-01

The two most common approaches used to formulate thermodynamic properties of pure substances are fundamental (or characteristic) equations of state (Helmholtz and Gibbs functions) and a piecemeal approach that is described in Adebiyi and Russell (1992). This paper neither presents a different method to formulate thermodynamic properties of pure substances nor validates the aforementioned approaches. Rather its purpose is to present a method to generate property tables from existing property packages and a method to facilitate the accurate interpretation of fluid thermodynamic property data from those tables. There are two parts to this paper. The first part of the paper shows how efficient and usable property tables were generated, with the minimum number of data points, using an aerospace industry standard property package. The second part describes an innovative interpolation technique that has been developed to properly obtain thermodynamic properties near the saturated liquid and saturated vapor lines.

Effect of ultraviolet illumination and ambient gases on the photoluminescence and electrical properties of nanoporous silicon layer for organic vapor sensor.

PubMed

Atiwongsangthong, Narin

2012-08-01

The purpose of this research, the nanoporous silicon layer were fabricated and investigated the physical properties such as photoluminescence and the electrical properties in order to develop organic vapor sensor by using nanoporous silicon. The Changes in the photoluminescence intensity of nanoporous silicon samples are studied during ultraviolet illumination in various ambient gases such as nitrogen, oxigen and vacuum. In this paper, the nanoporous silicon layer was used as organic vapor adsorption and sensing element. The advantage of this device are simple process compatible in silicon technology and usable in room temperature. The structure of this device consists of nanoporous silicon layer which is formed by anodization of silicon wafer in hydrofluoric acid solution and aluminum electrode which deposited on the top of nanoporous silicon layer by evaporator. The nanoporous silicon sensors were placed in a gas chamber with various organic vapor such as ethanol, methanol and isopropyl alcohol. From studying on electrical characteristics of this device, it is found that the nanoporous silicon layer can detect the different organic vapor. Therefore, the nanoporous silicon is important material for organic vapor sensor and it can develop to other applications about gas sensors in the future.

Flux growth in a horizontal configuration: An analog to vapor transport growth

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

Yan, J. -Q.; Sales, B. C.; Susner, M. A.

Flux growth of single crystals is normally performed in a vertical configuration with an upright refractory container holding the flux melt. At high temperatures, flux dissolves the charge, forming a homogeneous solution before nucleation and growth of crystals takes place under proper supersaturation generated by cooling or evaporating the flux. In this paper, we report flux growth in a horizontal configuration with a temperature gradient along the horizontal axis: a liquid transport growth analogous to the vapor transport technique. In a typical liquid transport growth, the charge is kept at the hot end of the refractory container and the fluxmore » melt dissolves the charge and transfers it to the cold end. Once the concentration of charge is above the solubility limit at the cold end, the thermodynamically stable phase nucleates and grows. Compared to the vertical flux growth, the liquid transport growth can provide a large quantity of crystals in a single growth since the charge/flux ratio is not limited by the solubility limit at the growth temperature. This technique is complementary to the vertical flux growth and can be considered when a large amount of crystals is needed but the yield from the conventional vertical flux growth is limited. Finally, we applied this technique to the growth of IrSb 3, Mo 3Sb 7, and MnBi from self-flux, and the growth of FeSe, CrTe 3, NiPSe 3, FePSe 3, CuInP 2S 6, RuCl 3, and OsCl 4 from a halide flux.« less

Flux growth in a horizontal configuration: An analog to vapor transport growth

DOE PAGES

Yan, J. -Q.; Sales, B. C.; Susner, M. A.; ...

2017-07-05

Flux growth of single crystals is normally performed in a vertical configuration with an upright refractory container holding the flux melt. At high temperatures, flux dissolves the charge, forming a homogeneous solution before nucleation and growth of crystals takes place under proper supersaturation generated by cooling or evaporating the flux. In this paper, we report flux growth in a horizontal configuration with a temperature gradient along the horizontal axis: a liquid transport growth analogous to the vapor transport technique. In a typical liquid transport growth, the charge is kept at the hot end of the refractory container and the fluxmore » melt dissolves the charge and transfers it to the cold end. Once the concentration of charge is above the solubility limit at the cold end, the thermodynamically stable phase nucleates and grows. Compared to the vertical flux growth, the liquid transport growth can provide a large quantity of crystals in a single growth since the charge/flux ratio is not limited by the solubility limit at the growth temperature. This technique is complementary to the vertical flux growth and can be considered when a large amount of crystals is needed but the yield from the conventional vertical flux growth is limited. Finally, we applied this technique to the growth of IrSb 3, Mo 3Sb 7, and MnBi from self-flux, and the growth of FeSe, CrTe 3, NiPSe 3, FePSe 3, CuInP 2S 6, RuCl 3, and OsCl 4 from a halide flux.« less

Observed Changes in Upper-Tropospheric Water Vapor Transport From Satellite Measurements During the Summers of 1987 and 1988

NASA Technical Reports Server (NTRS)

Lerner, Jeffrey A.; Jedlovee, Gary J.; Atkinson, Robert J.

1998-01-01

The research described below focuses on the use of satellite measurements to monitor both monthly and interannual changes in UT (upper tropospheric) water vapor transport. The GOES-7 Pathfinder data set is used to estimate both winds and humidity during the summers (JJA) of 1987 and 1988. These two summers are of particular importance to climate variability since they were characterized by a dramatic shift in the Southern Oscillation index (i.e., 1987 as a warm ENSO event and 1988 as a cold La-Nina period) (Arkin, 1988; Ropelewski 1988). The contrasting features of the summers of '87 and '88 are exploited to demonstrate the utility of satellite wind and humidity estimates to analyze the role of water vapor in climate change.

Role of chalcogen vapor annealing in inducing bulk superconductivity in Fe1 +yTe1 -xSex

NASA Astrophysics Data System (ADS)

Lin, Wenzhi; Ganesh, P.; Gianfrancesco, Anthony; Wang, Jun; Berlijn, Tom; Maier, Thomas A.; Kalinin, Sergei V.; Sales, Brian C.; Pan, Minghu

2015-02-01

Recent investigations have shown that Fe1 +yTe1 -xSex can be made superconducting by annealing it in Se and O vapors. The current lore is that these chalcogen vapors induce superconductivity by removing the magnetic excess Fe atoms. To investigate this phenomenon, we performed a combination of magnetic susceptibility, specific heat, and transport measurements together with scanning tunneling microscopy and spectroscopy and density functional theory calculations on Fe1 +yTe1 -xSex treated with Te vapor. We conclude that the main role of the Te vapor is to quench the magnetic moments of the excess Fe atoms by forming FeTem (m ≥1 ) complexes. We show that the remaining FeTem complexes are still damaging to the superconductivity and therefore that their removal potentially could further improve superconductive properties in these compounds.

Final Report: Vapor Transport Deposition for Thin Film III-V Photovoltaics

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

Boettcher, Shannon; Greenaway, Ann; Boucher, Jason

2016-02-10

Silicon, the dominant photovoltaic (PV) technology, is reaching its fundamental performance limits as a single absorber/junction technology. Higher efficiency devices are needed to reduce cost further because the balance of systems account for about two-thirds of the overall cost of the solar electricity. III-V semiconductors such as GaAs are used to make the highest-efficiency photovoltaic devices, but the costs of manufacture are much too high for non-concentrated terrestrial applications. The cost of III-V’s is driven by two factors: (1) metal-organic chemical vapor deposition (MOCVD), the dominant growth technology, employs expensive, toxic and pyrophoric gas-phase precursors, and (2) the growth substratesmore » conventionally required for high-performance devices are monocrystalline III-V wafers. The primary goal of this project was to show that close-spaced vapor transport (CSVT), using water vapor as a transport agent, is a scalable deposition technology for growing low-cost epitaxial III-V photovoltaic devices. The secondary goal was to integrate those devices on Si substrates for high-efficiency tandem applications using interface nanopatterning to address the lattice mismatch. In the first task, we developed a CSVT process that used only safe solid-source powder precursors to grow epitaxial GaAs with controlled n and p doping and mobilities/lifetimes similar to that obtainable via MOCVD. Using photoelectrochemical characterization, we showed that the best material had near unity internal quantum efficiency for carrier collection and minority carrier diffusions lengths in of ~ 8 μm, suitable for PV devices with >25% efficiency. In the second task we developed the first pn junction photovoltaics using CSVT and showed unpassivated structures with open circuit photovoltages > 915 mV and internal quantum efficiencies >0.9. We also characterized morphological and electrical defects and identified routes to reduce those defects. In task three we grew

The Transport Properties of Activated Carbon Fibers

DOE R&D Accomplishments Database

di Vittorio, S. L.; Dresselhaus, M. S.; Endo, M.; Issi, J-P.; Piraux, L.

1990-07-01

The transport properties of activated isotropic pitch-based carbon fibers with surface area 1000 m{sup 2}/g have been investigated. We report preliminary results on the electrical conductivity, the magnetoresistance, the thermal conductivity and the thermopower of these fibers as a function of temperature. Comparisons are made to transport properties of other disordered carbons.

49 CFR 193.2059 - Flammable vapor-gas dispersion protection.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 3 2010-10-01 2010-10-01 false Flammable vapor-gas dispersion protection. 193.2059 Section 193.2059 Transportation Other Regulations Relating to Transportation (Continued) PIPELINE AND HAZARDOUS MATERIALS SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) PIPELINE...

14 CFR 29.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2014 CFR

2014-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant Fuel System § 29.975 Fuel tank vents and carburetor vapor vents. (a) Fuel tank vents. Each fuel tank must be vented from the... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 29.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2010 CFR

2010-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant Fuel System § 29.975 Fuel tank vents and carburetor vapor vents. (a) Fuel tank vents. Each fuel tank must be vented from the... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 25.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2014 CFR

2014-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Powerplant Fuel System § 25.975 Fuel tank vents and carburetor vapor vents. (a) Fuel tank vents. Each fuel tank must be vented from the... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 29.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2013 CFR

2013-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant Fuel System § 29.975 Fuel tank vents and carburetor vapor vents. (a) Fuel tank vents. Each fuel tank must be vented from the... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 29.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2011 CFR

2011-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant Fuel System § 29.975 Fuel tank vents and carburetor vapor vents. (a) Fuel tank vents. Each fuel tank must be vented from the... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 29.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2012 CFR

2012-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant Fuel System § 29.975 Fuel tank vents and carburetor vapor vents. (a) Fuel tank vents. Each fuel tank must be vented from the... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 25.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2010 CFR

2010-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Powerplant Fuel System § 25.975 Fuel tank vents and carburetor vapor vents. (a) Fuel tank vents. Each fuel tank must be vented from the... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 25.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2011 CFR

2011-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Powerplant Fuel System § 25.975 Fuel tank vents and carburetor vapor vents. (a) Fuel tank vents. Each fuel tank must be vented from the... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 25.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2012 CFR

2012-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Powerplant Fuel System § 25.975 Fuel tank vents and carburetor vapor vents. (a) Fuel tank vents. Each fuel tank must be vented from the... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 25.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2013 CFR

2013-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Powerplant Fuel System § 25.975 Fuel tank vents and carburetor vapor vents. (a) Fuel tank vents. Each fuel tank must be vented from the... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Fuel tank vents and carburetor vapor vents...

Transport Properties in Nuclear Pasta

NASA Astrophysics Data System (ADS)

Caplan, Matthew; Horowitz, Charles; Berry, Donald; da Silva Schneider, Andre

2016-09-01

At the base of the inner crust of neutron stars, where matter is near the nuclear saturation density, nuclear matter arranges itself into exotic shapes such as cylinders and slabs, called `nuclear pasta.' Lepton scattering from these structures may govern the transport properties of the inner crust; electron scattering from protons in the pasta determines the thermal and electrical conductivity, as well as the shear viscosity of the inner crust. These properties may vary in pasta structures which form at various densities, temperatures, and proton fractions. In this talk, we report on our calculations of lepton transport in nuclear pasta and the implication for neutron star observables.

Model for the Vaporization of Mixed Organometallic Compounds in the Metalorganic Chemical Vapor Deposition of High Temperature Superconducting Films

NASA Technical Reports Server (NTRS)

Meng, Guangyao; Zhou, Gang; Schneider, Roger L.; Sarma, Bimal K.; Levy, Moises

1993-01-01

A model of the vaporization and mass transport of mixed organometallics from a single source for thin film metalorganic chemical vapor deposition is presented. A stoichiometric gas phase can be obtained from a mixture of the organometallics in the desired mole ratios, in spite of differences in the volatilities of the individual compounds. Proper film composition and growth rates are obtained by controlling the velocity of a carriage containing the organometallics through the heating zone of a vaporizer.

Transport properties of Sb-doped Si nanowires

NASA Astrophysics Data System (ADS)

Nukala, Prathyusha; Sapkota, Gopal; Gali, Pradeep; Philipose, U.

2012-08-01

We present a safe and cost-effective approach for synthesis of n-type Sb-doped Si nanowires. The nanowires were synthesized at ambient pressure using SiCl4 as Si source and pure Sb as the dopant source. Structural and compositional characterization using electron microscopy and X-ray spectroscopy show crystalline nanowires with lengths of 30-40 μm and diameters of 40-100 nm. A 3-4 nm thick amorphous oxide shell covers the surface of the nanowire, post-growth. The composition of this shell was confirmed by Raman spectroscopy. Growth of Si nanowires, followed by low temperature annealing in Sb vapor, was shown to be an effective technique for synthesizing Sb-doped Si nanowires. The doping concentration of Sb was found to be dependent on temperature, with Sb re-evaporating from the Si nanowire at higher doping temperatures. Field effect transistors (FETs) were fabricated to investigate the electrical transport properties of these nanowires. The as-grown Si nanowires were found to be p-type with a channel mobility of 40 cm2 V-1 s-1. After doping with Sb, these nanowires exhibited n-type behavior. The channel mobility and carrier concentration of the Sb-doped Si nanowires were estimated to be 288 cm2 V-1 s-1 and 5.3×1018 cm-3 respectively.

Side-wall gas 'creep' and 'thermal stress convection' in microgravity experiments on film growth by vapor transport

NASA Technical Reports Server (NTRS)

Rosner, Daniel E.

1989-01-01

While 'no-slip' boundary conditions and the Navier-Stokes equations of continuum fluid mechanics have served the vapor transport community well until now, it is pointed out that transport conditions within highly nonisothermal ampoules are such that the nonisothermal side walls 'drive' the dominant convective flow, and the familiar Stokes-Fourier-Fick laws governing the molecular fluxes of momentum, energy, and (species) mass in the 'continuum' field equations will often prove to be inadequate, even at Knudsen numbers as small as 0.001. The implications of these interesting gas kinetic phenomena under microgravity conditions, and even under 'earth-bound' experimental conditions, are outlined here, along with a tractable approach to their systematic treatment.

Classification of cassava starch films by physicochemical properties and water vapor permeability quantification by FTIR and PLS.

PubMed

Henrique, C M; Teófilo, R F; Sabino, L; Ferreira, M M C; Cereda, M P

2007-05-01

Cassava starches are widely used in the production of biodegradable films, but their resistance to humidity migration is very low. In this work, commercial cassava starch films were studied and classified according to their physicochemical properties. A nondestructive method for water vapor permeability determination, which combines with infrared spectroscopy and multivariate calibration, is also presented. The following commercial cassava starches were studied: pregelatinized (amidomax 3550), carboxymethylated starch (CMA) of low and high viscosities, and esterified starches. To make the films, 2 different starch concentrations were evaluated, consisting of water suspensions with 3% and 5% starch. The filmogenic solutions were dried and characterized for their thickness, grammage, water vapor permeability, water activity, tensile strength (deformation force), water solubility, and puncture strength (deformation). The minimum thicknesses were 0.5 to 0.6 mm in pregelatinized starch films. The results were treated by means of the following chemometric methods: principal component analysis (PCA) and partial least squares (PLS) regression. PCA analysis on the physicochemical properties of the films showed that the differences in concentration of the dried material (3% and 5% starch) and also in the type of starch modification were mainly related to the following properties: permeability, solubility, and thickness. IR spectra collected in the region of 4000 to 600 cm(-1) were used to build a PLS model with good predictive power for water vapor permeability determination, with mean relative errors of 10.0% for cross-validation and 7.8% for the prediction set.

Study on water vapor characteristic of typical heavy snowstorm case in Northern Xinjiang

NASA Astrophysics Data System (ADS)

Cui, C.; Zhang, J.

2017-12-01

Using the daily precipitation at 51 weather stations in the Northern Xinjiang from November to March during 2000—2012 and daily water vapor of NCEP/NCAR 6 h 1°×1° reanalysis data, the water vapor characteristics of 11 typical heavy snowstorm cases were studied. The result shows that the 11 cases are classified into 3 types: West of Northern Xinjiang and along Tianshan edge, north and east of Northern Xinjiang, west of Northern Xinjiang and west Tianshan. There are two main water vapor sources: Near the Mediterranean Sea, the Red Sea or near the Persian Gulf. There are two water vapor transport routes which are west, southwest and northwest, respectively. Water vapor from southwest route is more, that from northwest route is less. The top of water vapor is close to 300 hPa. The strongest water vapor transport level is between 650-750 hPa. Before the every occurrence of 11 heavy snowstorm processes, there are water vapor convergence between 600-1000 hPa in Northern Xinjiang.There are positive correlations between the snowstorm intensity and water vapor convergence between 600-1000 hPa, as well as the convergence strength, rang and duration time in Northern Xinjiang. Hence, some lowest values of the strongest water vapor transport, water vapor convergence and the upper and lower level jet streams are resented also and gave useful references for accurate heavy snowstorm forecasting.

Chemistry and Transport Properties for Jet Fuel Combustion

DTIC Science & Technology

2013-04-01

AFRL-OSR-VA-TR-2013-0168 Chemistry and Transport Properties for Jet Fuel Combustion Angela Violi University of Michigan...5a. CONTRACT NUMBER (U) Chemistry and Transport Properties for Jet Fuel Combustion 5b. GRANT NUMBER FA9550-09-1-0021 5c...combustors.   Although,  chemical  kinetic  mechanisms  of  hydrocarbons  have  been  widely  studied,  molecular   transport

Diamond deposition by chemical vapor transport with hydrogen in a closed system

NASA Astrophysics Data System (ADS)

Piekarczyk, W.; Messier, R.; Roy, R.; Engdahl, C.

1990-11-01

The carbon-hydrogen chemical vapor transport system was examined in accordance with a four-stage transport model. A result of this examination is that graphite co-deposition could be avoided when diamond is deposited from gas solutions undersaturated with regard to diamond. Actual deposition experiments showed that this unusual requirement can be fulfilled but only for the condition that the transport distance between the carbon source and the substrate surface is short. In such a case diamond can be deposited equally from supersaturated as well as from undersaturated gas solutions. On the basis of thermodynamic considerations, a possible explanation of this unusual phenomenon is given. It is shown that there is a possibility of deposition of diamond from both supersaturated and undersaturated gas solutions but only on the condition that they are in a non-equilibrium state generally called the activated state. A model of the diamond deposition process consisting of two steps is proposed. In the first step diamond and graphite are deposited simultaneously. The most important carbon deposition reaction is C 2H 2(g)+2H(g) = C(diamond+graphite) +CH 4(g). The amount of co-deposited graphite is not a direct function of the saturation state of the gas phase. In the second step graphite is etched according to the most probable reaction C(graphite)+4H(g) = CH 4(g). Atomic hydrogen in a concentration exceeding equilibrium is necessary not only to etch graphite, but also to precipitate diamond and graphite.

Photoinduced current transient spectroscopy of deep levels and transport mechanisms in iron-doped GaN thin films grown by low pressure-metalorganic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Muret, P.; Pernot, J.; Azize, M.; Bougrioua, Z.

2007-09-01

Electrical transport and deep levels are investigated in GaN:Fe layers epitaxially grown on sapphire by low pressure metalorganic vapor phase epitaxy. Photoinduced current transient spectroscopy and current detected deep level spectroscopy are performed between 200 and 650 K on three Fe-doped samples and an undoped sample. A detailed study of the detected deep levels assigns dominant centers to a deep donor 1.39 eV below the conduction band edge EC and to a deep acceptor 0.75 eV above the valence band edge EV at low electric field. A strong Poole-Frenkel effect is evidenced for the donor. Schottky diodes characteristics and transport properties in the bulk GaN:Fe layer containing a homogenous concentration of 1019 Fe/cm3 are typical of a compensated semiconductor. They both indicate that the bulk Fermi level is located typically 1.4 eV below EC, in agreement with the neutrality equation and dominance of the deep donor concentration. This set of results demonstrates unambiguously that electrical transport in GaN:Fe is governed by both types, either donor or acceptor, of the iron impurity, either substitutional in gallium sites or associated with other defects.

Vapor-Phase Stoichiometry and Heat Treatment of CdTe Starting Material for Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Sha, Yi-Gao; Lehoczky, S. L.; Liu, Hao-Chieh; Fang, Rei; Brebrick, R. F.

1998-01-01

Six batches of CdTe, having total amounts of material from 99 to 203 g and gross mole fraction of Te, X(sub Te), 0.499954-0.500138, were synthesized from pure Cd and Te elements. The vapor-phase stoichiometry of the assynthesized CdTe batches was determined from the partial pressure of Te2, P(sub Te2) using an optical absorption technique. The measured vapor compositions at 870 C were Te-rich for all of the batches with partial pressure ratios of Cd to Te2, P(sub Cd)/P(sub Te2), ranging from 0.00742 to 1.92. After the heat treatment of baking under dynamic vacuum at 870 C for 8 min, the vapor-phase compositions moved toward that of the congruent sublimation, i.e. P(sub Cd)/P(sub Te2) = 2.0, with the measured P(sub Cd)/P(sub Te2) varying from 1.84 to 3.47. The partial pressure measurements on one of the heat-treated samples also showed that the sample remained close to the congruent sublimation condition over the temperature range 800-880 C.

Predictability of horizontal water vapor transport relative to precipitation: Enhancing situational awareness for forecasting western U.S. extreme precipitation and flooding

USGS Publications Warehouse

Lavers, David A.; Waliser, Duane E.; Ralph, F. Martin; Dettinger, Michael

2016-01-01

The western United States is vulnerable to socioeconomic disruption due to extreme winter precipitation and floods. Traditionally, forecasts of precipitation and river discharge provide the basis for preparations. Herein we show that earlier event awareness may be possible through use of horizontal water vapor transport (integrated vapor transport (IVT)) forecasts. Applying the potential predictability concept to the National Centers for Environmental Prediction global ensemble reforecasts, across 31 winters, IVT is found to be more predictable than precipitation. IVT ensemble forecasts with the smallest spreads (least forecast uncertainty) are associated with initiation states with anomalously high geopotential heights south of Alaska, a setup conducive for anticyclonic conditions and weak IVT into the western United States. IVT ensemble forecasts with the greatest spreads (most forecast uncertainty) have initiation states with anomalously low geopotential heights south of Alaska and correspond to atmospheric rivers. The greater IVT predictability could provide warnings of impending storminess with additional lead times for hydrometeorological applications.

Water Vapor Transport, June through November 2005 Movie

NASA Image and Video Library

2008-11-18

This visualization from the Atmospheric Infrared Sounder AIRS on NASA Aqua satellite shows variations in the three dimensional distribution of water vapor in the atmosphere during the summer and fall of 2005.

Local and Global Bifurcations of Flow Fields During Physical Vapor Transport: Application to a Microgravity Experiment

NASA Technical Reports Server (NTRS)

Duval, W. M. B.; Singh, N. B.; Glicksman, M. E.

1996-01-01

The local bifurcation of the flow field, during physical vapor transport for a parametric range of experimental interest, shows that its dynamical state ranges from steady to aperiodic. Comparison of computationally predicted velocity profiles with laser doppler velocimetry measurements shows reasonable agreement in both magnitude and planform. Correlation of experimentally measured crystal quality with the predicted dynamical state of the flow field shows a degradation of quality with an increase in Rayleigh number. The global bifurcation of the flow field corresponding to low crystal quality indicates the presence of a traveling wave for Ra = 1.09 x 10(exp 5). For this Rayleigh number threshold a chaotic transport state occurs. However, a microgravity environment for this case effectively stabilizes the flow to diffusive-advective and provides the setting to grow crystals with optimal quality.

Room temperature ammonia vapor sensing properties of transparent single walled carbon nanotube thin film

NASA Astrophysics Data System (ADS)

Shobin, L. R.; Manivannan, S.

2014-10-01

Carbon nanotube (CNT) networks are identified as potential substitute and surpass the conventional indium doped tin oxide (ITO) in transparent conducting electrodes, thin-film transistors, solar cells, and chemical sensors. Among them, CNT based gas sensors gained more interest because of its need in environmental monitoring, industrial control, and detection of gases in warfare or for averting security threats. The unique properties of CNT networks such as high surface area, low density, high thermal conductivity and chemical sensitivity making them as a potential candidate for gas sensing applications. Commercial unsorted single walled carbon nanotubes (SWCNT) were purified by thermal oxidation and acid treatment processes and dispersed in organic solvent N-methyl pyrolidone using sonication process in the absence of polymer or surfactant. Optically transparent SWCNT networks are realized on glass substrate by coating the dispersed SWCNT with the help of dynamic spray coating process at 200ºC. The SWCNT random network was characterized by scanning electron microscopy and UV-vis-NIR spectroscopy. Gas sensing property of transparent film towards ammonia vapor is studied at room temperature by measuring the resistance change with respect to the concentration in the range 0-1000 ppm. The sensor response is increased logarithmically in the concentration range 0 to 1000 ppm with the detection limit 0.007 ppm. The random networks are able to detect ammonia vapor selectively because of the high electron donating nature of ammonia molecule to the SWCNT. The sensor is reversible and selective to ammonia vapor with response time 70 seconds and recovery time 423 seconds for 62.5 ppm with 90% optical transparency at 550 nm.

The Biological and Toxicological Activity of Gases and Vapors

PubMed Central

Sánchez-Moreno, Ricardo; Gil-Lostes, Javier; Acree, William E.; Cometto-Muñiz, J. Enrique; Cain, William S.

2010-01-01

A large amount of data on the biological and toxicological activity of gases and vapors has been collected from the literature. Processes include sensory irritation thresholds, the Alarie mouse test, inhalation anesthesia, etc. It is shown that a single equation using only five descriptors (properties of the gases and vapors) plus a set of indicator variables for the given processes can correlate 643 biological and non-lethal toxicological activities of ‘non-reactive’ compounds with a standard deviation of 0.36 log unit. The equation is scaled to sensory irritation thresholds obtained by the procedure of Cometto-Muñiz, and Cain, and provides a general equation for the prediction of sensory irritation thresholds in man. It is suggested that differences in biological/toxicological activity arise primarily from transport from the gas phase to a receptor phase or area, except for odor detection thresholds where interaction with a receptor(s) is important. PMID:19913608

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Burger, Arnold; Dudley, Michael; Matyi, Richard J.; Ramachandran, Narayanan; Sha, Yi-Gao; Volz, Martin; Shih, Hung-Dah

1998-01-01

Interest in optical devices which can operate in the visible spectrum has motivated research interest in the II-VI wide band gap semiconductor materials. The recent challenge for semiconductor opto-electronics is the development of a laser which can operate at short visible wavelengths, In the past several years, major advances in thin film technology such as molecular beam epitaxy and metal organic chemical vapor deposition have demonstrated the applicability of II-VI materials to important devices such as light-emitting diodes, lasers, and ultraviolet detectors.The demonstration of its optical bistable properties in bulk and thin film forms also make ZnSe a possible candidate material for the building blocks of a digital optical computer. Despite this, developments in the crystal growth of bulk II-VI semiconductor materials has not advanced far enough to provide the low price, high quality substrates needed for the thin film growth technology. The electrical and optical properties of semiconductor materials depend on the native point defects, (the deviation from stoichiometry), and the impurity or dopant distribution. To date, the bulk growth of ZnSe substrates has been plagued with problems related to defects such as non-uniform distributions of native defects, impurities and dopants, lattice strain, dislocations, grain boundaries, and second phase inclusions which greatly effect the device performance. In the bulk crystal growth of some technologically important semiconductors, such as ZnTe, CdS, ZnSe and ZnS, vapor growth techniques have significant advantages over melt growth techniques due to the high melting points of these materials.

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Brebrick, R. F.; Burger, A.; Dudley, M.; Matyi, R.; Ramachandran, N.; Sha, Yi-Gao; Volz, M.; Shih, Hung-Dah

1999-01-01

Complete and systematic ground-based experimental and theoretical analyses on the Physical Vapor Transport (PVT) of ZnSe and related ternary compound semiconductors have been performed. The analyses included thermodynamics, mass flux, heat treatment of starting material, crystal growth, partial pressure measurements, optical interferometry, chemical analyses, photoluminescence, microscopy, x-ray diffraction and topography as well as theoretical, analytical and numerical analyses. The experimental results showed the influence of gravity orientation on the characteristics of: (1) the morphology of the as-grown crystals as well as the as-grown surface morphology of ZnSe and Cr doped ZnSe crystals; (2) the distribution of impurities and defects in ZnSe grown crystals; and (3) the axial segregation in ZnSeTe grown crystals.

Crystal growth from the vapor phase experiment MA-085

NASA Technical Reports Server (NTRS)

Wiedemeir, H.; Sadeek, H.; Klaessig, F. C.; Norek, M.

1976-01-01

Three vapor transport experiments on multicomponent systems were performed during the Apollo Soyuz mission to determine the effects of microgravity forces on crystal morphology and mass transport rates. The mixed systems used germanium selenide, tellurium, germanium tetraiodide (transport agent), germanium monosulfide, germanium tetrachloride (transport agent), and argon (inert atmosphere). The materials were enclosed in evacuated sealed ampoules of fused silica and were transported in a temperature gradient of the multipurpose electric furnace onboard the Apollo Soyuz spacecraft. Preliminary evaluation of 2 systems shows improved quality of space grown crystals in terms of growth morphology and bulk perfection. This conclusion is based on a direct comparison of space grown and ground based crystals by means of X-ray diffraction, microscopic, and chemical etching techniques. The observation of greater mass transport rates than predicted for a microgravity environment by existing vapor transport models indicates the existence of nongravity caused transport effects in a reactive solid/gas phase system.

External fuel vaporization study, phase 2

NASA Technical Reports Server (NTRS)

Szetela, E. J.; Chiappetta, L.

1981-01-01

An analytical study was conducted to evaluate the effect of variations in fuel properties on the design of an external fuel vaporizaton system. The fuel properties that were considered included thermal stability, critical temperature, enthalpy a critical conditions, volatility, and viscosity. The design parameters that were evaluated included vaporizer weight and the impact on engine requirement such as maintenance, transient response, performance, and altitude relight. The baseline fuel properties were those of Jet A. The variation in thermal stability was taken as the thermal stability variation for Experimental Referee Broad Specification (ERBS) fuel. The results of the analysis indicate that a change in thermal stability equivalent to that of ERBS would increase the vaporization system weight by 20 percent, decrease oprating time between cleaning by 40 percent and make altitude relight more difficult. An increase in fuel critical temperature of 39 K would require a 40 percent increase in vaporization system weight. The assumed increase in enthalpy and volatility would also increase vaporizer weight by 40 percent and make altitude relight extremely difficult. The variation in fuel viscosity would have a negligible effect on the design parameters.

CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

NASA Technical Reports Server (NTRS)

Mcbride, B.

1994-01-01

Scientists and engineers need chemical equilibrium composition data to calculate the theoretical thermodynamic properties of a chemical system. This information is essential in the design and analysis of equipment such as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical processing equipment. The substantial amount of numerical computation required to obtain equilibrium compositions and transport properties for complex chemical systems led scientists at NASA's Lewis Research Center to develop CET89, a program designed to calculate the thermodynamic and transport properties of these systems. CET89 is a general program which will calculate chemical equilibrium compositions and mixture properties for any chemical system with available thermodynamic data. Generally, mixtures may include condensed and gaseous products. CET89 performs the following operations: it 1) obtains chemical equilibrium compositions for assigned thermodynamic states, 2) calculates dilute-gas transport properties of complex chemical mixtures, 3) obtains Chapman-Jouguet detonation properties for gaseous species, 4) calculates incident and reflected shock properties in terms of assigned velocities, and 5) calculates theoretical rocket performance for both equilibrium and frozen compositions during expansion. The rocket performance function allows the option of assuming either a finite area or an infinite area combustor. CET89 accommodates problems involving up to 24 reactants, 20 elements, and 600 products (400 of which may be condensed). The program includes a library of thermodynamic and transport properties in the form of least squares coefficients for possible reaction products. It includes thermodynamic data for over 1300 gaseous and condensed species and transport data for 151 gases. The subroutines UTHERM and UTRAN convert thermodynamic and transport data to unformatted form for faster processing. The program conforms to the FORTRAN 77 standard, except for

Tubing For Sampling Hydrazine Vapor

NASA Technical Reports Server (NTRS)

Travis, Josh; Taffe, Patricia S.; Rose-Pehrsson, Susan L.; Wyatt, Jeffrey R.

1993-01-01

Report evaluates flexible tubing used for transporting such hypergolic vapors as those of hydrazines for quantitative analysis. Describes experiments in which variety of tubing materials, chosen for their known compatibility with hydrazine, flexibility, and resistance to heat.

Supercritical droplet combustion and related transport phenomena

NASA Technical Reports Server (NTRS)

Yang, Vigor; Hsieh, K. C.; Shuen, J. S.

1993-01-01

An overview of recent advances in theoretical analyses of supercritical droplet vaporization and combustion is conducted. Both hydrocarbon and cryogenic liquid droplets over a wide range of thermodynamic states are considered. Various important high-pressure effects on droplet behavior, such as thermodynamic non-ideality, transport anomaly, and property variation, are reviewed. Results indicate that the ambient gas pressure exerts significant control of droplet gasification and burning processes through its influence on fluid transport, gas-liquid interfacial thermodynamics, and chemical reactions. The droplet gasification rate increases progressively with pressure. However, the data for the overall burnout time exhibit a considerable change in the combustion mechanism at the criticl pressure, mainly as a result of reduced mass diffusivity and latent heat of vaporization with increased pressure. The influence of droplet size on the burning characteristics is also noted.

Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

NASA Technical Reports Server (NTRS)

Hunt, J. L.; Boney, L. R.

1973-01-01

Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

Preparation and Characterization of Composites Based on Polylactic Acid and Beeswax with Improved Water Vapor Barrier Properties.

PubMed

Lim, Jung Hoon; Kim, Jeong Ae; Ko, Jung A; Park, Hyun Jin

2015-11-01

Beeswax and a plasticizer (ATBC) were added to polylactic acid (PLA) films in order to enhance the water vapor barrier properties of the films. Beeswax improved the barrier properties; the water vapor permeability in the composite containing 1% beeswax was 58% lower than that of the neat PLA. Fourier transform infrared spectroscopy and X-ray diffraction analysis revealed that the incorporation of beeswax and ATBC had so little effect on the PLA structure. In addition, the structure of PLA did not vary substantially with the additions. The surfaces of the composites were examined by using field emission scanning electron microscopy. Differential scanning calorimetry results showed that the degree of crystallinity of the PLA films increased with the addition of beeswax and ATBC. However, the tensile strength and elongation at break of the composites containing beeswax were up to approximately 50% lower than those of the neat PLA. Although further study is needed to improve the mechanical properties, the aforementioned results showed that the PLA barrier properties can be improved by the incorporation of a small amount of beeswax and ATBC. The results of this study can be applied for the preparation of PLA composite films with improved barrier properties. Such biodegradable films are extremely useful for applications in the food packaging industry. © 2015 Institute of Food Technologists®

The effect of vapor transport of acidic aerosols on salt speciation in Antarctic soils collected near the polar plateau

NASA Astrophysics Data System (ADS)

Graly, J. A.; Licht, K.; Kaplan, M. R.; Druschel, G.

2017-12-01

Vapor is the primary phase in which water is transported through soils where temperatures rarely, if ever, reach the melting point. In terrestrial settings, such as Antarctica, these cold, dry soils accumulate appreciable quantities of salts, primarily derived from atmospheric aerosols. Past studies have often analyzed the transport of salts to depth using solubility parameters, which assumes liquid water can percolate through porous media. We analyzed the distribution of salts in an Antarctic blue ice moraine, located near the polar plateau (84˚S, 163˚E). Here moraine soils are progressively older with distance from active ice, the oldest soils dating to several hundred ka. Changes in salt content were analyzed both with depth and with soil age. Of atmospheric salts analyzed, chloride and fluoride salts are fluxed to greatest depth, followed by nitrate salts. Sulfate and borate salts are both relatively immobile in the soil and are not detected below the top several cm. This distribution runs counter to the solubility of the salt species, with borate having high solubility and fluoride and nitrate both being relatively insoluble. Instead, the vapor pressures of the acids from which the salts form correspond very strongly with the relative abundance of the salts at depth. This suggests that percolation of liquid water plays a minimal role in moving salts to depth. Instead salts move to depth as vapors of acidic aerosols. With soil age, surface concentrations of the more mobile salts (nitrate, chloride, and fluoride) show logarithmic or power-law increases in concentrations, whereas boron and sulfate increase linearly. This is consistent with the former's progressive flux to depth. An exception to this pattern occurs in a few of the oldest soils, where substantially higher concentrations of the mobile salts are found in the top soils. This suggests that the direction of net vapor flux may reverse once sufficient salt concentration is developed at depth, though

Thermodynamic and Transport Properties of Real Air Plasma in Wide Range of Temperature and Pressure

NASA Astrophysics Data System (ADS)

Wang, Chunlin; Wu, Yi; Chen, Zhexin; Yang, Fei; Feng, Ying; Rong, Mingzhe; Zhang, Hantian

2016-07-01

Air plasma has been widely applied in industrial manufacture. In this paper, both dry and humid air plasmas' thermodynamic and transport properties are calculated in temperature 300-100000 K and pressure 0.1-100 atm. To build a more precise model of real air plasma, over 70 species are considered for composition. Two different methods, the Gibbs free energy minimization method and the mass action law method, are used to determinate the composition of the air plasma in a different temperature range. For the transport coefficients, the simplified Chapman-Enskog method developed by Devoto has been applied using the most recent collision integrals. It is found that the presence of CO2 has almost no effect on the properties of air plasma. The influence of H2O can be ignored except in low pressure air plasma, in which the saturated vapor pressure is relatively high. The results will serve as credible inputs for computational simulation of air plasma. supported by the National Key Basic Research Program of China (973 Program)(No. 2015CB251002), National Natural Science Foundation of China (Nos. 51521065, 51577145), the Science and Technology Project Funds of the Grid State Corporation (SGTYHT/13-JS-177), the Fundamental Research Funds for the Central Universities, and State Grid Corporation Project (GY71-14-004)

Point Defect Distributions in ZnSe Crystals: Effects of Gravity Vector Orientation During Physical Vapor Transport Growth

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Feth, S.; Hirschfeld, D.; Smith, T. M.; Wang, Ling Jun; Volz, M. P.; Lehoczky, S. L.

1999-01-01

ZnSe crystals were grown by the physical vapor transport technique under horizontal and vertical (stabilized and destabilized) configurations. Secondary ion mass spectroscopy and photoluminescence measurements were performed on the grown ZnSe samples to map the distributions of [Si], [Fe], [Cu], [Al] and [Li or Na] impurities as well as Zn vacancy, [V (sub Zn)]. Annealings of ZnSe under controlled Zn pressures were studied to correlate the measured photoluminescence emission intensity to the equilibrium Zn partial pressure. In the horizontal grown crystals the segregations of [Si], [Fe], [Al] and [V (sub Zn)] were observed along the gravity vector direction whereas in the vertically stabilized grown crystal the segregation of these point defects was radially symmetrical. No apparent pattern was observed on the measured distributions in the vertically destabilized grown crystal. The observed segregations in the three growth configurations were interpreted based on the possible buoyancy-driven convection in the vapor phase.

Intermolecular network analysis of the liquid and vapor interfaces of pentane and water: microsolvation does not trend with interfacial properties.

PubMed

Ghadar, Yasaman; Clark, Aurora E

2014-06-28

Liquid:vapor and liquid:liquid interfaces exhibit complex organizational structure and dynamics at the molecular level. In the case of water and organic solvents, the hydrophobicity of the organic, its conformational flexibility, and compressibility, all influence interfacial properties. This work compares the interfacial tension, width, molecular conformations and orientations at the vapor and aqueous liquid interfaces of two solvents, n-pentane and neopentane, whose varying molecular shapes can lead to significantly different interfacial behavior. Particular emphasis has been dedicated toward understanding how the hydrogen bond network of water responds to the pentane relative to the vapor interface and the sensitivity of the network to the individual pentane isomer and system temperature. Interfacial microsolvation of the immiscible solvents has been examined using graph theoretical methods that quantify the structure and dynamics of microsolvated species (both H2O in C5H12 and C5H12 in H2O). At room temperature, interfacial water at the pentane phase boundary is found to have markedly different organization and dynamics than at the vapor interface (as indicated by the hydrogen bond distributions and hydrogen bond persistence in solution). While the mesoscale interfacial properties (e.g. interfacial tension) are sensitive to the specific pentane isomer, the distribution and persistence of microsolvated species at the interface is nearly identical for both systems, irrespective of temperature (between 273 K and 298 K). This has important implications for understanding how properties defined by the interfacial organization are related to the underlying solvation reactions that drive formation of the phase boundary.

Optical Sensor for Diverse Organic Vapors at ppm Concentration Ranges

PubMed Central

Thomas, J. Christopher; Trend, John E.; Rakow, Neal A.; Wendland, Michael S.; Poirier, Richard J.; Paolucci, Dora M.

2011-01-01

A broadly responsive optical organic vapor sensor is described that responds to low concentrations of organic vapors without significant interference from water vapor. Responses to several classes of organic vapors are highlighted, and trends within classes are presented. The relationship between molecular properties (vapor pressure, boiling point, polarizability, and refractive index) and sensor response are discussed. PMID:22163798

Combinatorial Characterization of TiO2 Chemical Vapor Deposition Utilizing Titanium Isopropoxide.

PubMed

Reinke, Michael; Ponomarev, Evgeniy; Kuzminykh, Yury; Hoffmann, Patrik

2015-07-13

The combinatorial characterization of the growth kinetics in chemical vapor deposition processes is challenging because precise information about the local precursor flow is usually difficult to access. In consequence, combinatorial chemical vapor deposition techniques are utilized more to study functional properties of thin films as a function of chemical composition, growth rate or crystallinity than to study the growth process itself. We present an experimental procedure which allows the combinatorial study of precursor surface kinetics during the film growth using high vacuum chemical vapor deposition. As consequence of the high vacuum environment, the precursor transport takes place in the molecular flow regime, which allows predicting and modifying precursor impinging rates on the substrate with comparatively little experimental effort. In this contribution, we study the surface kinetics of titanium dioxide formation using titanium tetraisopropoxide as precursor molecule over a large parameter range. We discuss precursor flux and temperature dependent morphology, crystallinity, growth rates, and precursor deposition efficiency. We conclude that the surface reaction of the adsorbed precursor molecules comprises a higher order reaction component with respect to precursor surface coverage.

Transport Properties of Ionic Liquid Mixtures Containing Heterodications

DOE PAGES

Lall-Ramnarine, S.; Fernandez, E.; Rodriguez, C.; ...

2016-08-30

This report discusses the transport properties of ionic liquid mixtures that incorporate a series of asymmetrical dications, including heterodications. The dicationic ILs combine either triphenylphosphonium and trimethylammonium cationic sites that are bridged to methylimidazolium or methylpyrrolidinium cationic sites. Mixtures were made of the dicationic bis(trifluoromethylsulfonyl)amide ionic liquids with N-ethoxyethyl-N-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide. The IL mixtures were characterized for their transport properties (temperature dependent conductivity and viscosity) and thermal properties (melting point and glass transition point).

Vapor Grown Perovskite Solar Cells

NASA Astrophysics Data System (ADS)

Abdussamad Abbas, Hisham

Perovskite solar cells has been the fastest growing solar cell material till date with verified efficiencies of over 22%. Most groups in the world focuses their research on solution based devices that has residual solvent in the material bulk. This work focuses extensively on the fabrication and properties of vapor based perovskite devices that is devoid of solvents. The initial part of my work focuses on the detailed fabrication of high efficiency consistent sequential vapor NIP devices made using P3HT as P-type Type II heterojunction. The sequential vapor devices experiences device anomalies like voltage evolution and IV hysteresis owing to charge trapping in TiO2. Hence, sequential PIN devices were fabricated using doped Type-II heterojunctions that had no device anomalies. The sequential PIN devices has processing restriction, as organic Type-II heterojunction materials cannot withstand high processing temperature, hence limiting device efficiency. Thereby bringing the need of co-evaporation for fabricating high efficiency consistent PIN devices, the approach has no-restriction on substrates and offers stoichiometric control. A comprehensive description of the fabrication, Co-evaporator setup and how to build it is described. The results of Co-evaporated devices clearly show that grain size, stoichiometry and doped transport layers are all critical for eliminating device anomalies and in fabricating high efficiency devices. Finally, Formamidinium based perovskite were fabricated using sequential approach. A thermal degradation study was conducted on Methyl Ammonium Vs. Formamidinium based perovskite films, Formamidinium based perovskites were found to be more stable. Lastly, inorganic films such as CdS and Nickel oxide were developed in this work.

Effect of lignin on water vapor barrier, mechanical, and structural properties of agar/lignin composite films.

PubMed

Shankar, Shiv; Reddy, Jeevan Prasad; Rhim, Jong-Whan

2015-11-01

Biodegradable composite films were prepared using two renewable resources based biopolymers, agar and lignin alkali. The lignin was used as a reinforcing material and agar as a biopolymer matrix. The effect of lignin concentration (1, 3, 5, and 10wt%) on the performance of the composite films was studied. In addition, the mechanical, water vapor barrier, UV light barrier properties, FE-SEM, and TGA of the films were analyzed. The agar/lignin films exhibited higher mechanical and UV barrier properties along with lower water vapor permeability compared to the neat agar film. The FTIR and SEM results showed the compatibility of lignin with agar polymer. The swelling ratio and moisture content of agar/lignin composite films were decreased with increase in lignin content. The thermostability and char content of agar/lignin composite films increased with increased lignin content. The results suggested that agar/lignin films have a potential to be used as a UV barrier food packaging material for maintaining food safety and extending the shelf-life of the packaged food. Copyright © 2015 Elsevier B.V. All rights reserved.

An Interpolation Method for Obtaining Thermodynamic Properties Near Saturated Liquid and Saturated Vapor Lines

NASA Technical Reports Server (NTRS)

Nguyen, Huy H.; Martin, Michael A.

2003-01-01

The availability and proper utilization of fluid properties is of fundamental importance in the process of mathematical modeling of propulsion systems. Real fluid properties provide the bridge between the realm of pure analytiis and empirical reality. The two most common approaches used to formulate thermodynamic properties of pure substances are fundamental (or characteristic) equations of state (Helmholtz and Gibbs functions) and a piecemeal approach that is described, for example, in Adebiyi and Russell (1992). This paper neither presents a different method to formulate thermodynamic properties of pure substances nor validates the aforementioned approaches. Rather its purpose is to present a method to be used to facilitate the accurate interpretation of fluid thermodynamic property data generated by existing property packages. There are two parts to this paper. The first part of the paper shows how efficient and usable property tables were generated, with the minimum number of data points, using an aerospace industry standard property package (based on fundamental equations of state approach). The second part describes an innovative interpolation technique that has been developed to properly obtain thermodynamic properties near the saturated liquid and saturated vapor lines.

Properties of interfaces and transport across them.

PubMed

Cabezas, H

2000-01-01

Much of the biological activity in cell cytoplasm occurs in compartments some of which may be formed, as suggested in this book, by phase separation, and many of the functions of such compartments depend on the transport or exchange of molecules across interfaces. Thus a fundamentally based discussion of the properties of phases, interfaces, and diffusive transport across interfaces has been given to further elucidate these phenomena. An operational criterion for the width of interfaces is given in terms of molecular and physical arguments, and the properties of molecules inside phases and interfaces are discussed in terms of molecular arguments. In general, the properties of the interface become important when the molecules diffusing across are smaller than the width of the interface. Equilibrium partitioning, Donnan phenomena, and electrochemical potentials at interfaces are also discussed in detail. The mathematical expressions for modeling transport across interfaces are discussed in detail. These describe a practical and detailed model for transport across interfaces. For molecules smaller than the width of the interface, this includes a detailed model for diffusion inside the interface. Last, the question of the time scale for phase formation and equilibration in biological systems is discussed.

Evaluating Global Aerosol Models and Aerosol and Water Vapor Properties Near Clouds

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

Richard A. Ferrare; David D. Turner

Project goals: (1) Use the routine surface and airborne measurements at the ARM SGP site, and the routine surface measurements at the NSA site, to continue our evaluations of model aerosol simulations; (2) Determine the degree to which the Raman lidar measurements of water vapor and aerosol scattering and extinction can be used to remotely characterize the aerosol humidification factor; (3) Use the high temporal resolution CARL data to examine how aerosol properties vary near clouds; and (4) Use the high temporal resolution CARL and Atmospheric Emitted Radiance Interferometer (AERI) data to quantify entrainment in optically thin continental cumulus clouds.

Numerical modeling of physical vapor transport in a vertical cylindrical ampoule, with and without gravity

NASA Technical Reports Server (NTRS)

Miller, T. L.

1986-01-01

Numerical modeling has been performed of the fluid dynamics in a prototypical physical vapor transport crystal growing situation. Cases with and without gravity have been computed. Dependence of the flows upon the dimensionless parameters aspect ratio and Peclet, Rayleigh, and Schmidt numbers is demonstrated to a greater extent than in previous works. Most notably, it is shown that the effects of thermally-induced buoyant convection upon the mass flux on the growth interface crucially depend upon the temperature boundary conditions on the sidewall (e.g., whether adiabatic or of a fixed profile, and in the latter case the results depend upon the shape of the profile assumed).

Vaporization of a mixed precursors in chemical vapor deposition for YBCO films

NASA Technical Reports Server (NTRS)

Zhou, Gang; Meng, Guangyao; Schneider, Roger L.; Sarma, Bimal K.; Levy, Moises

1995-01-01

Single phase YBa2Cu3O7-delta thin films with T(c) values around 90 K are readily obtained by using a single source chemical vapor deposition technique with a normal precursor mass transport. The quality of the films is controlled by adjusting the carrier gas flow rate and the precursor feed rate.

Development and Application of a Three-Dimensional Finite Element Vapor Intrusion Model

PubMed Central

Pennell, Kelly G.; Bozkurt, Ozgur; Suuberg, Eric M.

2010-01-01

Details of a three-dimensional finite element model of soil vapor intrusion, including the overall modeling process and the stepwise approach, are provided. The model is a quantitative modeling tool that can help guide vapor intrusion characterization efforts. It solves the soil gas continuity equation coupled with the chemical transport equation, allowing for both advective and diffusive transport. Three-dimensional pressure, velocity, and chemical concentration fields are produced from the model. Results from simulations involving common site features, such as impervious surfaces, porous foundation sub-base material, and adjacent structures are summarized herein. The results suggest that site-specific features are important to consider when characterizing vapor intrusion risks. More importantly, the results suggest that soil gas or subslab gas samples taken without proper regard for particular site features may not be suitable for evaluating vapor intrusion risks; rather, careful attention needs to be given to the many factors that affect chemical transport into and around buildings. PMID:19418819

Transport properties of CNT/oligosilane/CNT heterojunctions

NASA Astrophysics Data System (ADS)

Yu, J.; Zhang, G. L.; Shang, Y.; Wang, K. D.; Zhang, H.; Sun, M.; Liu, B.; Zeng, T.

2013-02-01

Combining the non-equilibrium Green's function formalism with density functional theory, the transport properties of nine CNT/oligosilane/CNT heterojunctions were systematically studied. We have found that the incorporation of oligosilane linkage to the carbon nanotube mouth could significantly tune the transport properties compared with the pure oligosilane and pure CNT. The P- and B-dopings upon the oligosilane moiety could not only enhance the conductivity but also give rise to multiple negative differential resistance behavior for the CNT/oligosilane/CNT heterojunctions. The concentration of heteroatom plays an important role in the transport properties of the CNT/oligosilane/CNT heterojunctions, while the number of the oligosilane linkage exerts little effect on the conductivity. The B-doped CNT/oligosilane/CNT heterojunctions show higher conductivity than those of the P-doped ones. The p-n junction caused by B- and P-codopings exhibits a rectifying effect and the rectification ratio is up to 7.19.

Lox droplet vaporization in a supercritical forced convective environment

NASA Technical Reports Server (NTRS)

Hsiao, Chia-Chun; Yang, Vigor

1994-01-01

A systematic investigation has been conducted to study the effects of ambient flow conditions (i.e. pressure and velocity) on supercritical droplet gasification in a forced-convective environment. The model is based on the time-dependent conservation equations in axisymmetric coordinates, and accommodates thermodynamic nonidealities and transport anomalies. In addition, an efficient scheme for evaluating thermophysical properties over the entire range of fluid thermodynamic states is established. The analysis allows a thorough examination of droplet behavior during its entire lifetime, including transient gasification, dynamic deformation, and shattering. A parametric study of droplet vaporization rate in terms of ambient pressure and Reynolds number is also conducted.

A demonstration experiment for studying the properties of saturated vapor

NASA Astrophysics Data System (ADS)

Grebenev, Igor V.; Lebedeva, Olga V.; Polushkina, Svetlana V.

2017-11-01

The paper proposes an important demonstration experiment that can be used at secondary schools in physics. The described experiment helps students learn the main concepts of the topic ‘saturated vapor’, namely, evaporation, condensation, dynamic equilibrium, saturation vapor, partial pressure, and the dependence of saturated vapor pressure on temperature.

Molecular simulation of the thermodynamic, structural, and vapor-liquid equilibrium properties of neon

NASA Astrophysics Data System (ADS)

Vlasiuk, Maryna; Frascoli, Federico; Sadus, Richard J.

2016-09-01

The thermodynamic, structural, and vapor-liquid equilibrium properties of neon are comprehensively studied using ab initio, empirical, and semi-classical intermolecular potentials and classical Monte Carlo simulations. Path integral Monte Carlo simulations for isochoric heat capacity and structural properties are also reported for two empirical potentials and one ab initio potential. The isobaric and isochoric heat capacities, thermal expansion coefficient, thermal pressure coefficient, isothermal and adiabatic compressibilities, Joule-Thomson coefficient, and the speed of sound are reported and compared with experimental data for the entire range of liquid densities from the triple point to the critical point. Lustig's thermodynamic approach is formally extended for temperature-dependent intermolecular potentials. Quantum effects are incorporated using the Feynman-Hibbs quantum correction, which results in significant improvement in the accuracy of predicted thermodynamic properties. The new Feynman-Hibbs version of the Hellmann-Bich-Vogel potential predicts the isochoric heat capacity to an accuracy of 1.4% over the entire range of liquid densities. It also predicts other thermodynamic properties more accurately than alternative intermolecular potentials.

The role of water vapor in climate. A strategic research plan for the proposed GEWEX water vapor project (GVaP)

NASA Technical Reports Server (NTRS)

Starr, D. OC. (Editor); Melfi, S. Harvey (Editor)

1991-01-01

The proposed GEWEX Water Vapor Project (GVaP) addresses fundamental deficiencies in the present understanding of moist atmospheric processes and the role of water vapor in the global hydrologic cycle and climate. Inadequate knowledge of the distribution of atmospheric water vapor and its transport is a major impediment to progress in achieving a fuller understanding of various hydrologic processes and a capability for reliable assessment of potential climatic change on global and regional scales. GVap will promote significant improvements in knowledge of atmospheric water vapor and moist processes as well as in present capabilities to model these processes on global and regional scales. GVaP complements a number of ongoing and planned programs focused on various aspects of the hydrologic cycle. The goal of GVaP is to improve understanding of the role of water vapor in meteorological, hydrological, and climatological processes through improved knowledge of water vapor and its variability on all scales. A detailed description of the GVaP is presented.

Combined NMR and molecular dynamics modeling study of transport properties in sulfonamide based deep eutectic lithium electrolytes: LiTFSI based binary systems.

PubMed

Pauric, Allen D; Halalay, Ion C; Goward, Gillian R

2016-03-07

The trend toward Li-ion batteries operating at increased (>4.3 V vs. Li/Li(+)) voltages requires the development of novel classes of lithium electrolytes with electrochemical stability windows exceeding those of LiPF6/carbonate electrolyte solutions. Several new classes of electrolytes have been synthesized and investigated over the past decade, in the search for LIB electrolytes with improved properties (increased hydrolytic stability, improved thermal abuse tolerance, higher oxidation voltages, etc.) compared with the present state-of-the-art LiPF6 and organic carbonates-based formulations. Among these are deep eutectic electrolytes (DEEs), which share many beneficial characteristics with ionic liquids, such as low vapor pressure and large electrochemical stability windows, with the added advantage of a significantly higher lithium transference number. The present work presents the pulsed field gradient NMR characterization of the transport properties (diffusion coefficients and cation transport numbers) of binary DEEs consisting of a sulfonamide solvent and lithium bis(trifluoromethanesulfonyl)imide salt. Insights into the structural and dynamical properties, which enable one to rationalize the observed ionic conductivity behavior were obtained from a combination of NMR data and MD simulations. The insights thus gained should assist the formulation of novel DEEs with improved properties for LIB applications.

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

PubMed Central

Willis, Matthew P.; Stevenson, Shawn M.; Pearl, Thomas P.; Mantooth, Brent A.

2014-01-01

The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

Platinum assisted vapor-liquid-solid growth of er-si nanowires and their optical properties.

PubMed

Kim, Myoung-Ha; Kim, Il-Soo; Park, Yong-Hee; Park, Tae-Eon; Shin, Jung H; Choi, Heon-Jin

2009-11-14

We report the optical activation of erbium coated silicon nanowires (Er-SiNWs) grown with the assist of platinum (Pt) and gold (Au), respectively. The NWs were grown on Si substrates by using a chemical vapor transport process using SiCl4 and ErCl4 as precursors. Pt as well as Au worked successfully as vapor-liquid-solid (VLS) catalysts for growing SiNWs with diameters of ~100 nm and length of several micrometers, respectively. The SiNWs have core-shell structures where the Er-crystalline layer is sandwiched between silica layers. Photoluminescence spectra analyses showed the optical activity of SiNWs from both Pt and Au. A stronger Er3+ luminescence of 1,534 nm was observed from the SiNWs with Pt at room- and low-temperature (25 K) using the 488- and/or 477-nm line of an Ar laser that may be due to the uniform incorporation of more Er ions into NWs with the exclusion of the formation of catalyst-induced deep levels in the band-gap. Pt would be used as a VLS catalyst for high performance optically active Er-SiNWs.

Platinum Assisted Vapor-Liquid-Solid Growth of Er-Si Nanowires and Their Optical Properties

NASA Astrophysics Data System (ADS)

Kim, Myoung-Ha; Kim, Il-Soo; Park, Yong-Hee; Park, Tae-Eon; Shin, Jung H.; Choi, Heon-Jin

2010-02-01

We report the optical activation of erbium coated silicon nanowires (Er-SiNWs) grown with the assist of platinum (Pt) and gold (Au), respectively. The NWs were grown on Si substrates by using a chemical vapor transport process using SiCl4 and ErCl4 as precursors. Pt as well as Au worked successfully as vapor-liquid-solid (VLS) catalysts for growing SiNWs with diameters of ~100 nm and length of several micrometers, respectively. The SiNWs have core-shell structures where the Er-crystalline layer is sandwiched between silica layers. Photoluminescence spectra analyses showed the optical activity of SiNWs from both Pt and Au. A stronger Er3+ luminescence of 1,534 nm was observed from the SiNWs with Pt at room- and low-temperature (25 K) using the 488- and/or 477-nm line of an Ar laser that may be due to the uniform incorporation of more Er ions into NWs with the exclusion of the formation of catalyst-induced deep levels in the band-gap. Pt would be used as a VLS catalyst for high performance optically active Er-SiNWs.

Investigating the differences of cirrus cloud properties in nucleation, growth and sublimation regions based on airborne water vapor lidar measurements

NASA Astrophysics Data System (ADS)

Urbanek, Benedikt; Groß, Silke; Wirth, Martin

2017-04-01

Cirrus clouds impose high uncertainties on weather and climate prediction, as knowledge on important processes is still incomplete. For instance it remains unclear how cloud optical, microphysical, and radiative properties change as the cirrus evolves. To gain better understanding of cirrus clouds, their optical and microphysical properties and their changes with cirrus cloud evolution the ML-CIRRUS campaign was conducted in March and April 2014. Measurements with a combined in-situ and remote sensing payload were performed with the German research aircraft HALO based in Oberpfaffenhofen. 16 research flights with altogether 88 flight hours were performed over the North-Atlantic, western and central Europe to probe different cirrus cloud regimes and cirrus clouds at different stages of evolution. One of the key remotes sensing instruments during ML-CIRRUS was the airborne differential absorption and high spectral lidar system WALES. It measures the 2-dimensional distribution of water vapor inside and outside of cirrus clouds as well as the optical properties of the clouds. Bases on these airborne lidar measurements a novel classification scheme to derive the stage of cirrus cloud evolution was developed. It identifies regions of ice nucleation, particle growth by deposition of water vapor, and ice sublimation. This method is used to investigate differences in the distribution and value of optical properties as well as in the distribution of water vapor and relative humidity depending on the stage of evolution of the cloud. We will present the lidar based classification scheme and its application on a wave driven cirrus cloud case, and we will show first results of the dependence of optical cloud properties and relative humidity distributions on the determined stage of evolution.

A technique to depress desflurane vapor pressure.

PubMed

Brosnan, Robert J; Pypendop, Bruno H

2006-09-01

To determine whether the vapor pressure of desflurane could be decreased by using a solvent to reduce the anesthetic molar fraction in a solution (Raoult's Law). We hypothesized that such an anesthetic mixture could produce anesthesia using a nonprecision vaporizer instead of an agent-specific, electronically controlled, temperature and pressure compensated vaporizer currently required for desflurane administration. One healthy adult female dog. Propylene glycol was used as a solvent for desflurane, and the physical characteristics of this mixture were evaluated at various molar concentrations and temperatures. Using a circle system with a breathing bag attached at the patient end and a mechanical ventilator to simulate respiration, an in-circuit, nonprecision vaporizer containing 40% desflurane and 60% propylene glycol achieved an 11.5% +/- 1.0% circuit desflurane concentration with a 5.2 +/- 0.4 (0 = off, 10 = maximum) vaporizer setting. This experiment was repeated with a dog attached to the breathing circuit under spontaneous ventilation with a fresh gas flow of 0.5 L minute(-1). Anesthesia was maintained for over 2 hours at a mean vaporizer setting of 6.2 +/- 0.4, yielding mean inspired and end-tidal desflurane concentrations of 8.7% +/- 0.5% and 7.9% +/- 0.7%, respectively. Rather than alter physical properties of vaporizers to suit a particular anesthetic agent, this study demonstrates that it is also possible to alter physical properties of anesthetic agents to suit a particular vaporizer. However, propylene glycol may not prove an ideal solvent for desflurane because of its instability in solution and substantial-positive deviation from Raoult's Law.

The influence of the dispersion method on the electrical properties of vapor-grown carbon nanofiber/epoxy composites

PubMed Central

2011-01-01

The influence of the dispersion of vapor-grown carbon nanofibers (VGCNF) on the electrical properties of VGCNF/Epoxy composites has been studied. A homogenous dispersion of the VGCNF does not imply better electrical properties. In fact, it is demonstrated that the most simple of the tested dispersion methods results in higher conductivity, since the presence of well-distributed nanofiber clusters appears to be a key factor for increasing composite conductivity. PACS: 72.80.Tm; 73.63.Fg; 81.05.Qk PMID:21711873

Fluid Dynamics and Thermodynamics of Vapor Phase Crystal Growth

NASA Technical Reports Server (NTRS)

Wiedemeier, H.

1985-01-01

The ground-based research effort under this program is concerned with systematic studies of the effects of variations: (1) of the relative importance of buoyancy-driven convection, and (2) of diffusion and viscosity conditions on crystal properties. These experimental studies are supported by thermodynamic characterizations of the systems, based on which fluid dynamic parameters can be determined. The specific materials under investigation include: the GeSe-GeI4, Ge-GeI4, HgTe-HgI2, and Hg sub (1-x)Cd sub (x) Te-HgI2 systems. Mass transport rate studies of the GeSe-GeI system as a function of orientation of the density gradient relative to the gravity vector demonstrated the validity of flux anomalies observed in earlier space experiments. The investigation of the effects of inert gases on mass flux yielded the first experimental evidence for the existence of a boundary layer in closed ampoules. Combined with a thorough thermodynamic analysis, a transport model for diffusive flow including chemical vapor transport, sublimation, and Stefan flow was developed.

Spin dynamics, electronic, and thermal transport properties of two-dimensional CrPS4 single crystal

NASA Astrophysics Data System (ADS)

Pei, Q. L.; Luo, X.; Lin, G. T.; Song, J. Y.; Hu, L.; Zou, Y. M.; Yu, L.; Tong, W.; Song, W. H.; Lu, W. J.; Sun, Y. P.

2016-01-01

2-Dimensional (2D) CrPS4 single crystals have been grown by the chemical vapor transport method. The crystallographic, magnetic, electronic, and thermal transport properties of the single crystals were investigated by the room-temperature X-ray diffraction, electrical resistivity ρ(T), specific heat CP(T), and the electronic spin response (ESR) measurements. CrPS4 crystals crystallize into a monoclinic structure. The electrical resistivity ρ(T) shows a semiconducting behavior with an energy gap Ea = 0.166 eV. The antiferromagnetic transition temperature is about TN = 36 K. The spin flipping induced by the applied magnetic field is observed along the c axis. The magnetic phase diagram of CrPS4 single crystal has been discussed. The extracted magnetic entropy at TN is about 10.8 J/mol K, which is consistent with the theoretical value R ln(2S + 1) for S = 3/2 of the Cr3+ ion. Based on the mean-field theory, the magnetic exchange constants J1 and Jc corresponding to the interactions of the intralayer and between layers are about 0.143 meV and -0.955 meV are obtained based on the fitting of the susceptibility above TN, which agree with the results obtained from the ESR measurements. With the help of the strain for tuning the magnetic properties, monolayer CrPS4 may be a promising candidate to explore 2D magnetic semiconductors.

Transport properties associated with carbon-phenolic ablators

NASA Technical Reports Server (NTRS)

Biolsi, L.

1982-01-01

Entry vehicle heat shields designed for entry into the atmosphere of the outer planets are usually made of carbonaceous material such as carbon-phenolic ablator. Ablative injection of this material is an important mechanism for reducing the heat at the surface of the entry vehicle. Conductive transport properties in the shock layer are important for some entry conditions. The kinetic theory of gases has been used to calculate the transport properties for 17 gaseous species obtained from the ablation of carbon-phenolic heat shields. Results are presented for the pure species and for the gas mixture.

Scattering Properties of Ground-State 23Na Vapor Using Generalized Scattering Theory

NASA Astrophysics Data System (ADS)

Al-Harazneh, A. A.; Sandouqa, A. S.; Joudeh, B. R.; Ghassib, H. B.

2018-04-01

The scattering properties of ground-state 23Na vapor are investigated within the framework of the Galitskii-Migdal-Feynman formalism. Viewed as a generalized scattering theory, this formalism is used to calculate the medium phase shifts. The scattering properties of the system—the total, viscosity, spin-exchange, and average cross sections—are then computed using these phase shifts according to standard recipes. The total cross section is found to exhibit the Ramsauer-Townsend effect as well as resonance peaks. These peaks are caused by the large difference between the potentials for electronic spin-singlet and spin-triplet states. They represent quasi-bound states in the system. The results obtained for the complex spin-exchange cross sections are particularly highlighted because of their importance in the spectroscopy of the Na2 dimer. So are the results for the scattering lengths pertaining to both singlet and triplet states. Wherever possible, comparison is made with other published results.

Modeling and Validation of Microwave Ablations with Internal Vaporization

PubMed Central

Chiang, Jason; Birla, Sohan; Bedoya, Mariajose; Jones, David; Subbiah, Jeyam; Brace, Christopher L.

2014-01-01

Numerical simulation is increasingly being utilized for computer-aided design of treatment devices, analysis of ablation growth, and clinical treatment planning. Simulation models to date have incorporated electromagnetic wave propagation and heat conduction, but not other relevant physics such as water vaporization and mass transfer. Such physical changes are particularly noteworthy during the intense heat generation associated with microwave heating. In this work, a numerical model was created that integrates microwave heating with water vapor generation and transport by using porous media assumptions in the tissue domain. The heating physics of the water vapor model was validated through temperature measurements taken at locations 5, 10 and 20 mm away from the heating zone of the microwave antenna in homogenized ex vivo bovine liver setup. Cross-sectional area of water vapor transport was validated through intra-procedural computed tomography (CT) during microwave ablations in homogenized ex vivo bovine liver. Iso-density contours from CT images were compared to vapor concentration contours from the numerical model at intermittent time points using the Jaccard Index. In general, there was an improving correlation in ablation size dimensions as the ablation procedure proceeded, with a Jaccard Index of 0.27, 0.49, 0.61, 0.67 and 0.69 at 1, 2, 3, 4, and 5 minutes. This study demonstrates the feasibility and validity of incorporating water vapor concentration into thermal ablation simulations and validating such models experimentally. PMID:25330481

The Lithium Vapor Box Divertor

NASA Astrophysics Data System (ADS)

Goldston, Robert; Hakim, Ammar; Hammett, Gregory; Jaworski, Michael; Myers, Rachel; Schwartz, Jacob

2015-11-01

Projections of scrape-off layer width to a demonstration power plant suggest an immense parallel heat flux, of order 12 GW/m2, which will necessitate nearly fully detached operation. Building on earlier work by Nagayama et al. and by Ono et al., we propose to use a series of differentially pumped boxes filled with lithium vapor to isolate the buffering vapor from the main plasma chamber, allowing stable detachment. This powerful differential pumping is only available for condensable vapors, not conventional gases. We demonstrate the properties of such a system through conservation laws for vapor mass and enthalpy, and then include plasma entrainment and ultimately an estimate of radiated power. We find that full detachment should be achievable with little leakage of lithium to the main plasma chamber. We also present progress towards solving the Navier-Stokes equation numerically for the chain of vapor boxes, including self-consistent wall boundary conditions and fully-developed shocks, as well as concepts for an initial experimental demonstration-of-concept. This work supported by DOE Contract No. DE-AC02-09CH11466.

Application of Molecular Dynamics Simulations in Molecular Property Prediction I: Density and Heat of Vaporization

PubMed Central

Wang, Junmei; Tingjun, Hou

2011-01-01

Molecular mechanical force field (FF) methods are useful in studying condensed phase properties. They are complementary to experiment and can often go beyond experiment in atomic details. Even a FF is specific for studying structures, dynamics and functions of biomolecules, it is still important for the FF to accurately reproduce the experimental liquid properties of small molecules that represent the chemical moieties of biomolecules. Otherwise, the force field may not describe the structures and energies of macromolecules in aqueous solutions properly. In this work, we have carried out a systematic study to evaluate the General AMBER Force Field (GAFF) in studying densities and heats of vaporization for a large set of organic molecules that covers the most common chemical functional groups. The latest techniques, such as the particle mesh Ewald (PME) for calculating electrostatic energies, and Langevin dynamics for scaling temperatures, have been applied in the molecular dynamics (MD) simulations. For density, the average percent error (APE) of 71 organic compounds is 4.43% when compared to the experimental values. More encouragingly, the APE drops to 3.43% after the exclusion of two outliers and four other compounds for which the experimental densities have been measured with pressures higher than 1.0 atm. For heat of vaporization, several protocols have been investigated and the best one, P4/ntt0, achieves an average unsigned error (AUE) and a root-mean-square error (RMSE) of 0.93 and 1.20 kcal/mol, respectively. How to reduce the prediction errors through proper van der Waals (vdW) parameterization has been discussed. An encouraging finding in vdW parameterization is that both densities and heats of vaporization approach their “ideal” values in a synchronous fashion when vdW parameters are tuned. The following hydration free energy calculation using thermodynamic integration further justifies the vdW refinement. We conclude that simple vdW parameterization

Electrical and Thermal Transport Property Studies of High-Temperature Thermoelectric Materials.

DTIC Science & Technology

1984-12-15

Transport Property Studies of High-Temperature Thermoelectric Mateial 12. PERSONAL AUTHIOR(S) 113. TYPE OF REPORT 13b. TIME COVERED Ai DATE OF REPORtT (Yr...with an ABO(3 perovskite structure. Transport properties have been determined for various doping ele- ments and for different compositions. These data...THERMAL TRANSPORT PROPERTY STUDIES Unannounced [j OF HIGH-TEMPERATURE THERMOELECTRIC MATERIALS Justi±icI iou. CONTRACT F-49620-83-0109 DEF By-- Battelle

Advances in Studies of Electrode Kinetics and Mass Transport in AMTEC Cells (abstract)

NASA Technical Reports Server (NTRS)

Williams, R. M.; Jeffries-Nakamura, B.; Ryan, M. A.; Underwood, M. L.; Kisor, A.; O'Connor, D.; Kikkert, S.

1993-01-01

Previous work reported from JPL has included characterization of electrode kinetics and alkali atom transport from electrodes including Mo, W, WRh(sub x), WPt(sub x)(Mn), in sodium AMTEC cells and vapor exposure cells, and Mo in potassium vapor exposure cells. These studies were generally performed in cells with small area electrodes (about 1 to 5 cm(sup 2)), and device geometry had little effect on transport. Alkali diffusion coefficients through these electrodes have been characterized, and approximate surface diffusion coefficients derived in cases of activated transport. A basic model of electrode kinetic at the alkali metal vapor/porous metal electrode/alkali beta'-alumina solid electrolyte three phase boundary has been proposed which accounts for electrochemical reaction rates with a collision frequency near the three phase boundary and tunneling from the porous electrode partially covered with adsorbed alkali metal atoms. The small electrode effect in AMTEC cells has been discussed in several papers, but quantitative investigations have described only the overall effect and the important contribution of electrolyte resistance. The quantitative characterization of transport losses in cells with large area electrodes has been limited to simulations of large area electrode effects, or characterization of transport losses from large area electrodes with significant longitudinal temperature gradients. This paper describes new investigations of electrochemical kinetics and transport, particularily with WPt(sub 3.5) electrodes, including the influence of electrode size on the mass transport loss in the AMTEC cell. These electrodes possess excellent sodium transport properties making verification of device limitations on transport much more readily attained.

Saturated liquid density of 1,1-difluoroethane(R 152a) and thermodynamic properties along the vapor-liquid coexistence curve

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

Sato, H.; Okada, M.; Uematsu, M.

1987-01-01

Saturated liquid densities of 1,1-difluoroethane (CH/sub 3/CHF/sub 2/) are measured at temperatures from 223 K to 363 K with the estimated uncertainty of +-0.2% by a magnetic densimetry. The experimental results are compared with the available experimental data and some correlations and equations of state. A simple correlation for the saturated liquid density is developed as a function of temperature. This correlation covers the temperature range up to the critical point which reproduces the present experimental results with the percent means deviation of 0.11%. Adding the available experimental data with respect to the vapor pressure, critical parameters, saturated vapor density,more » and the second virial coefficient to the present saturated liquid density data, the parameters of the Redlich-Kwong-Soave equation of state are determined and the thermodynamic properties along the vapor-liquid coexistence curve are derived.« less

The annual cycle of stratospheric water vapor in a general circulation model

NASA Technical Reports Server (NTRS)

Mote, Philip W.

1995-01-01

The application of general circulation models (GCM's) to stratospheric chemistry and transport both permits and requires a thorough investigation of stratospheric water vapor. The National Center for Atmospheric Research has redesigned its GCM, the Community Climate Model (CCM2), to enable studies of the chemistry and transport of tracers including water vapor; the importance of water vapor to the climate and chemistry of the stratosphere requires that it be better understood in the atmosphere and well represented in the model. In this study, methane is carried as a tracer and converted to water; this simple chemistry provides an adequate representation of the upper stratospheric water vapor source. The cold temperature bias in the winter polar stratosphere, which the CCM2 shares with other GCM's, produces excessive dehydration in the southern hemisphere, but this dry bias can be ameliorated by setting a minimum vapor pressure. The CCM2's water vapor distribution and seasonality compare favorably with observations in many respects, though seasonal variations including the upper stratospheric semiannual oscillation are generally too small. Southern polar dehydration affects midlatitude water vapor mixing ratios by a few tenths of a part per million, mostly after the demise of the vortex. The annual cycle of water vapor in the tropical and northern midlatitude lower stratosphere is dominated by drying at the tropical tropopause. Water vapor has a longer adjustment time than methane and had not reached equilibrium at the end of the 9 years simulated here.

Comparing Vertical Distributions of Water Vapor Flux within Two Landfalling Atmospheric Rivers

NASA Astrophysics Data System (ADS)

Rutz, J. J.; Lavers, D. A.

2015-12-01

The West Coast of North America is frequently impacted by atmospheric rivers (ARs), regions of intense horizontal water vapor transport that often produce heavy rain, flooding, and landslides when they interact with near-coastal mountains. Recently, studies have shown that ARs penetrate farther inland on many occasions, with indications that the vertical distribution of vapor transport within the ARs may play a key role in this penetration (Alexander et al. 2015; Rutz et al. 2015). We hypothesize that the amount of near-coastal precipitation and the likelihood of AR penetration farther inland may be inversely linked by vertical distributions of vapor fluxes before, during, and after landfall. To explore whether differing vertical distributions of transport explain differing precipitation and penetration outcomes, we compare two landfalling ARs that had very similar spatial extents and rates of vertically integrated (total) vapor transport, but which nonetheless produced very different amounts of precipitation over northern California. The vertical distribution of water vapor flux, specific humidity, and wind speed during these two ARs are examined along several transects using cross-sectional analyses of the Climate Forecast System Reanalysis with a horizontal resolution of ~0.5° (~63 km) and a sigma-pressure hybrid coordinate at 64 vertical levels. In addition, we pursue similar analyses of forecasts from the NCEP Global Ensemble Forecast System GEFS to assess whether numerical weather prediction models accurately represent these distributions. Finally, we calculate backward trajectories from within each AR to examine whether or not the origins of their respective air parcels play a role in the resulting vertical distribution of water vapor flux. The results have major implications for two problems in weather prediction: (1) the near-coastal precipitation associated with landfalling ARs and (2) the likelihood of AR penetration farther inland.

Vaporization Studies of Olivine via Knudsen Effusion Mass Spectrometry

NASA Technical Reports Server (NTRS)

Costa, G. C. C.; Jacobson, N. S.

2014-01-01

Olivine is the major mineral in the Earth's upper mantle occurring predominantly in igneous rocks and has been identified in meteorites, asteroids, the Moon and Mars. Among many other important applications in planetary and materials sciences, the thermodynamic properties of vapor species from olivine are crucial as input parameters in computational modelling of the atmospheres of hot, rocky exoplanets (lava planets). There are several weight loss studies of olivine vaporization in the literature and one Knudsen Effusion Mass Spectrometry (KEMS) study. In this study, we examine a forsterite-rich olivine (93% forsterite and 7% fayalite, Fo93Fa7) with KEMS to further understand its vaporization and thermodynamic properties.

Vapor core propulsion reactors

NASA Technical Reports Server (NTRS)

Diaz, Nils J.

1991-01-01

Many research issues were addressed. For example, it became obvious that uranium tetrafluoride (UF4) is a most preferred fuel over uranium hexafluoride (UF6). UF4 has a very attractive vaporization point (1 atm at 1800 K). Materials compatible with UF4 were looked at, like tungsten, molybdenum, rhenium, carbon. It was found that in the molten state, UF4 and uranium attacked most everything, but in the vapor state they are not that bad. Compatible materials were identified for both the liquid and vapor states. A series of analyses were established to determine how the cavity should be designed. A series of experiments were performed to determine the properties of the fluid, including enhancement of the electrical conductivity of the system. CFD's and experimental programs are available that deal with most of the major issues.

Wafer scale BN on sapphire substrates for improved graphene transport.

PubMed

Vangala, Shivashankar; Siegel, Gene; Prusnick, Timothy; Snure, Michael

2018-06-11

Wafer scale (2") BN grown by metal organic chemical vapor deposition (MOCVD) on sapphire was examined as a weakly interacting dielectric substrate for graphene, demonstrating improved transport properties over conventional sapphire and SiO 2 /Si substrates. Chemical vapor deposition grown graphene was transferred to BN/sapphire substrates for evaluation of more than 30 samples using Raman and Hall effects measurements. A more than 2x increase in Hall mobility and 10x reduction in sheet carrier density was measured for graphene on BN/sapphire compared to sapphire substrates. Through control of the MOCVD process, BN films with roughness ranging from <0.1 nm to >1 nm were grown and used to study the effects of substrate roughness on graphene transport. Arrays of graphene field effect transistors were fabricated on 2" BN/sapphire substrates demonstrating scalability and device performance enhancement.

Perspective: Highly stable vapor-deposited glasses

NASA Astrophysics Data System (ADS)

Ediger, M. D.

2017-12-01

This article describes recent progress in understanding highly stable glasses prepared by physical vapor deposition and provides perspective on further research directions for the field. For a given molecule, vapor-deposited glasses can have higher density and lower enthalpy than any glass that can be prepared by the more traditional route of cooling a liquid, and such glasses also exhibit greatly enhanced kinetic stability. Because vapor-deposited glasses can approach the bottom of the amorphous part of the potential energy landscape, they provide insights into the properties expected for the "ideal glass." Connections between vapor-deposited glasses, liquid-cooled glasses, and deeply supercooled liquids are explored. The generality of stable glass formation for organic molecules is discussed along with the prospects for stable glasses of other types of materials.

Perspective: Highly stable vapor-deposited glasses

DOE PAGES

Ediger, M. D.

2017-12-07

This paper describes recent progress in understanding highly stable glasses prepared by physical vapor deposition and provides perspective on further research directions for the field. For a given molecule, vapor-deposited glasses can have higher density and lower enthalpy than any glass that can be prepared by the more traditional route of cooling a liquid, and such glasses also exhibit greatly enhanced kinetic stability. Because vapor-deposited glasses can approach the bottom of the amorphous part of the potential energy landscape, they provide insights into the properties expected for the “ideal glass”. Connections between vapor-deposited glasses, liquid-cooled glasses, and deeply supercooled liquidsmore » are explored. The generality of stable glass formation for organic molecules is discussed along with the prospects for stable glasses of other types of materials.« less

Perspective: Highly stable vapor-deposited glasses

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

Ediger, M. D.

This paper describes recent progress in understanding highly stable glasses prepared by physical vapor deposition and provides perspective on further research directions for the field. For a given molecule, vapor-deposited glasses can have higher density and lower enthalpy than any glass that can be prepared by the more traditional route of cooling a liquid, and such glasses also exhibit greatly enhanced kinetic stability. Because vapor-deposited glasses can approach the bottom of the amorphous part of the potential energy landscape, they provide insights into the properties expected for the “ideal glass”. Connections between vapor-deposited glasses, liquid-cooled glasses, and deeply supercooled liquidsmore » are explored. The generality of stable glass formation for organic molecules is discussed along with the prospects for stable glasses of other types of materials.« less

Deposition of naphthalene and tetradecane vapors in models of the human respiratory system.

PubMed

Zhang, Zhe; Kleinstreuer, Clement

2011-01-01

Jet-propulsion fuel (particularly JP-8) is currently being used worldwide, exposing especially Air Force personnel and people living near airfields to JP-8 vapors and aerosols during aircraft fueling, maintenance operations, and/or cold starts. JP-8 is a complex mixture containing >200, mostly toxic, aliphatic and aromatic hydrocarbon compounds of which tetradecane and naphthalene were chosen as two representative chemical markers for computer simulations. Thus, transport and deposition of naphthalene and tetradecane vapors have been simulated in models of the human respiratory system. The inspiratory deposition data were analyzed in terms of regional deposition fractions (DFs) and deposition enhancement factors (DEF). The vapor depositions are affected by vapor properties (e.g. diffusivity), airway geometric features, breathing patterns, inspiratory flow rates, as well as airway-wall absorption parameter. Specifically, the respiratory uptake of vapors is greatly influenced by the degree of airway-wall absorption. For example, being an almost insoluble species in the mucus layer, the deposition of tetradecane vapor is nearly zero in the extrathoracic and tracheobronchial (TB) airways, that is, the DF is <1%. The remaining vapors may penetrate further and deposit in the alveolar airways. The DF of tetradecane vapors during inhalation in the alveolar region can range from 7% to 24%, depending on breathing waveform, inhalation rate, and thickness of the mucus layer. In contrast, naphthalene vapor almost completely deposits in the extrathoracic and TB airways and hardly moves downstream and deposits in the respiratory zone. The DFs of naphthalene vapor in the extrathoracic airways from nasal/oral to trachea under normal breathing conditions (Q = 15-60 L/min) are about 12-34%, although they are about 66-87% in the TB airways. In addition, the variation of breathing routes (say, from nasal breathing to oral breathing) may influence the vapor deposition in the

Growth kinetics and mass transport mechanisms of GaN columns by selective area metal organic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Wang, Xue; Hartmann, Jana; Mandl, Martin; Sadat Mohajerani, Matin; Wehmann, Hergo-H.; Strassburg, Martin; Waag, Andreas

2014-04-01

Three-dimensional GaN columns recently have attracted a lot of attention as the potential basis for core-shell light emitting diodes for future solid state lighting. In this study, the fundamental insights into growth kinetics and mass transport mechanisms of N-polar GaN columns during selective area metal organic vapor phase epitaxy on patterned SiOx/sapphire templates are systematically investigated using various pitch of apertures, growth time, and silane flow. Species impingement fluxes on the top surface of columns Jtop and on their sidewall Jsw, as well as, the diffusion flux from the substrate Jsub contribute to the growth of the GaN columns. The vertical and lateral growth rates devoted by Jtop, Jsw and Jsub are estimated quantitatively. The diffusion length of species on the SiOx mask surface λsub as well as on the sidewall surfaces of the 3D columns λsw are determined. The influences of silane on the growth kinetics are discussed. A growth model is developed for this selective area metal organic vapor phase epitaxy processing.

14 CFR 23.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2012 CFR

2012-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: NORMAL, UTILITY, ACROBATIC, AND COMMUTER CATEGORY AIRPLANES Powerplant Fuel System § 23.975 Fuel tank vents and carburetor vapor vents. (a) Each fuel tank must be vented... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 23.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2011 CFR

2011-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: NORMAL, UTILITY, ACROBATIC, AND COMMUTER CATEGORY AIRPLANES Powerplant Fuel System § 23.975 Fuel tank vents and carburetor vapor vents. (a) Each fuel tank must be vented... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 23.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2014 CFR

2014-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: NORMAL, UTILITY, ACROBATIC, AND COMMUTER CATEGORY AIRPLANES Powerplant Fuel System § 23.975 Fuel tank vents and carburetor vapor vents. (a) Each fuel tank must be vented... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 23.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2013 CFR

2013-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: NORMAL, UTILITY, ACROBATIC, AND COMMUTER CATEGORY AIRPLANES Powerplant Fuel System § 23.975 Fuel tank vents and carburetor vapor vents. (a) Each fuel tank must be vented... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Fuel tank vents and carburetor vapor vents...

14 CFR 23.975 - Fuel tank vents and carburetor vapor vents.

Code of Federal Regulations, 2010 CFR

2010-01-01

... TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: NORMAL, UTILITY, ACROBATIC, AND COMMUTER CATEGORY AIRPLANES Powerplant Fuel System § 23.975 Fuel tank vents and carburetor vapor vents. (a) Each fuel tank must be vented... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Fuel tank vents and carburetor vapor vents...

Transport properties in nontwist area-preserving maps

DOE PAGES

Szezech Jr., J. D.; Caldas, I. L.; Lopes, S. R.; ...

2009-10-23

Nontwist systems, common in the dynamical descriptions of fluids and plasmas, possess a shearless curve with a concomitant transport barrier that eliminates or reduces chaotic transport, even after its breakdown. In order to investigate the transport properties of nontwist systems, we analyze the barrier escape time and barrier transmissivity for the standard nontwist map, a paradigm of such systems. We interpret the sensitive dependence of these quantities upon map parameters by investigating chaotic orbit stickiness and the associated role played by the dominant crossing of stable and unstable manifolds.

Electronic transport properties of some liquid semiconductor

NASA Astrophysics Data System (ADS)

Sonvane, Y. A.; Thakor, P. B.; Jani, A. R.

2012-06-01

Electronic transport properties like electrical resistivity (ρ) and thermoelectric power (Q) of liquid semiconductor (Si, Ga, Ge, In, Sn, Tl and Bi) are calculated in the present study. Our well established single parametric model potential alongwith Percus Yevick hard sphere (PYHS) reference system are used to describe the structural information. To see the influence of exchange and correlation effect, Hartree, Taylor and Sarkar et al local field correlation functions are used. From present results, it is seen that good agreements between present results and experimental data have been achieved. Lastly we conclude that our model potential successfully produces the data of electronic transport properties for some liquid semiconductor (Si, Ga, Ge, In, Sn, Tl and Bi).

Electronic transport properties of graphene doped by gallium.

PubMed

Mach, J; Procházka, P; Bartošík, M; Nezval, D; Piastek, J; Hulva, J; Švarc, V; Konečný, M; Kormoš, L; Šikola, T

2017-10-13

In this work we present the effect of low dose gallium (Ga) deposition (<4 ML) performed in UHV (10 -7 Pa) on the electronic doping and charge carrier scattering in graphene grown by chemical vapor deposition. In situ graphene transport measurements performed with a graphene field-effect transistor structure show that at low Ga coverages a graphene layer tends to be strongly n-doped with an efficiency of 0.64 electrons per one Ga atom, while the further deposition and Ga cluster formation results in removing electrons from graphene (less n-doping). The experimental results are supported by the density functional theory calculations and explained as a consequence of distinct interaction between graphene and Ga atoms in case of individual atoms, layers, or clusters.

Electronic transport properties of graphene doped by gallium

NASA Astrophysics Data System (ADS)

Mach, J.; Procházka, P.; Bartošík, M.; Nezval, D.; Piastek, J.; Hulva, J.; Švarc, V.; Konečný, M.; Kormoš, L.; Šikola, T.

2017-10-01

In this work we present the effect of low dose gallium (Ga) deposition (<4 ML) performed in UHV (10-7 Pa) on the electronic doping and charge carrier scattering in graphene grown by chemical vapor deposition. In situ graphene transport measurements performed with a graphene field-effect transistor structure show that at low Ga coverages a graphene layer tends to be strongly n-doped with an efficiency of 0.64 electrons per one Ga atom, while the further deposition and Ga cluster formation results in removing electrons from graphene (less n-doping). The experimental results are supported by the density functional theory calculations and explained as a consequence of distinct interaction between graphene and Ga atoms in case of individual atoms, layers, or clusters.

Stacked vapor fed amtec modules

DOEpatents

Sievers, Robert K.

1989-01-01

The present invention pertains to a stacked AMTEC module. The invention includes a tubular member which has an interior. The member is comprised of a ion conductor that substantially conducts ions relative to electrons, preferably a beta"-alumina solid electrolyte, positioned about the interior. A porous electrode for conducting electrons and allowing sodium ions to pass therethrough, and wherein electrons and sodium ions recombine to form sodium is positioned about the beta"-alumina solid electrolyte. The electrode is operated at a temperature and a pressure that allows the recombined sodium to vaporize. Additionally, an outer current collector grid for distributing electrons throughout the porous electrode is positioned about and contacts the porous electrode. Also included in the invention is transporting means for transporting liquid sodium to the beta"-alumina solid electrolyte of the tubular member. A transition piece is positioned about the interior of the member and contacts the transporting means. The transition piece divides the member into a first cell and a second cell such that each first and second cell has a beta"-alumina solid electrolyte, a first and second porous electrode and a grid. The transition piece conducts electrons from the interior of the tubular member. There is supply means for supplying sodium to the transporting means. Preferably the supply means is a shell which surrounds the tubular member and is operated at a temperature such that the vaporized sodium condenses thereon. Returning means for returning the condensed sodium from the shell to the transporting means provides a continuous supply of liquid sodium to the transporting means. Also, there are first conducting means for conducting electric current from the transition piece which extends through the shell, and second conducting means for conducting electric current to the grid of the first cell which extends through the shell.

Critical points of metal vapors

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

Khomkin, A. L., E-mail: alhomkin@mail.ru; Shumikhin, A. S.

2015-09-15

A new method is proposed for calculating the parameters of critical points and binodals for the vapor–liquid (insulator–metal) phase transition in vapors of metals with multielectron valence shells. The method is based on a model developed earlier for the vapors of alkali metals, atomic hydrogen, and exciton gas, proceeding from the assumption that the cohesion determining the basic characteristics of metals under normal conditions is also responsible for their properties in the vicinity of the critical point. It is proposed to calculate the cohesion of multielectron atoms using well-known scaling relations for the binding energy, which are constructed for mostmore » metals in the periodic table by processing the results of many numerical calculations. The adopted model allows the parameters of critical points and binodals for the vapor–liquid phase transition in metal vapors to be calculated using published data on the properties of metals under normal conditions. The parameters of critical points have been calculated for a large number of metals and show satisfactory agreement with experimental data for alkali metals and with available estimates for all other metals. Binodals of metals have been calculated for the first time.« less

Transport, noise, and conservation properties in gyrokinetic plasmas

NASA Astrophysics Data System (ADS)

Jenkins, Thomas

2005-10-01

The relationship between various transport properties (such as particle and heat flux, entropy production, heating, and collisional dissipation) [1] is examined in electrostatic gyrokinetic simulations of ITG modes in simple geometry. The effect of the parallel velocity nonlinearity on the achievement of steady-state solutions and the transport properties of these solutions is examined; the effects of nonadiabatic electrons are also considered. We also examine the effectiveness of the electromagnetic split-weight scheme [2] in reducing the noise and improving the conservation properties (energy, momentum, particle number, etc.) of gyrokinetic plasmas. [1] W. W. Lee and W. M. Tang, Phys. Fluids 31, 612 (1988). [2] W. W. Lee, J. L. V. Lewandowski, T. S. Hahm, and Z.Lin, Phys. Plasmas 8, 4435 (2001).

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model

PubMed Central

Bauer, Brad A.; Patel, Sandeep

2009-01-01

We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of Tc=623 K, ρc=0.351 g∕cm3, and Pc=250.9 atm, which are in good agreement with experimental values of Tc=647.1 K, ρc=0.322 g∕cm3, and Pc=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (Tc=631 K and ρc=0.308 g∕cm3). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300–450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model.

PubMed

Bauer, Brad A; Patel, Sandeep

2009-08-28

We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of T(c)=623 K, rho(c)=0.351 g/cm(3), and P(c)=250.9 atm, which are in good agreement with experimental values of T(c)=647.1 K, rho(c)=0.322 g/cm(3), and P(c)=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (T(c)=631 K and rho(c)=0.308 g/cm(3)). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300-450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase

Simulating the influence of groundwater table fluctuation on vapor intrusion

NASA Astrophysics Data System (ADS)

Huo, J.

2017-12-01

The migration of volatile chemicals from groundwater to an overlying building is a commonly existing phenomenon around the world. Due to the distinction of hydrologic conditions among vapor intrusion sites, it is necessary to consider the effect of dominant hydrologic factors in order to obtain a precise site evaluation and a health risk assessment during the screening process. This study mainly discusses the impact of groundwater table fluctuation and other hydrological factors including porosity, permeability and soil moisture on the vapor intrusion transport. A two-dimensional model is configured to inject different typical volatile organic contaminants from EPA's Vapor Intrusion Database. Through quantifying the contaminant vapor concentration attenuation factors under the effect of groundwater table fluctuation, this study provides suggestions for indoor air sample and vapor intrusion assessment.

Ultra-fast vapor generation by a graphene nano-ratchet: a theoretical and simulation study.

PubMed

Ding, Hongru; Peng, Guilong; Mo, Shenqiu; Ma, Dengke; Sharshir, Swellam Wafa; Yang, Nuo

2017-12-14

Vapor generation is of prime importance for a broad range of applications: domestic water heating, desalination and wastewater treatment, etc. However, slow and inefficient evaporation limits its development. In this study, a nano-ratchet, a multilayer graphene with cone-shaped nanopores (MGCN), to accelerate vapor generation has been proposed. By performing molecular dynamics simulation, we found that air molecules were spontaneously transported across MGCN and resulted in a remarkable pressure difference, 21 kPa, between the two sides of MGCN. We studied the dependence of the pressure difference on the ambient temperature and geometry of MGCN in detail. Through further analysis of the diffusive transport, we found that pressure difference depended on the competition between ratchet transport and Knudsen diffusion and it was further found that ratchet transport is dominant. The significant pressure difference could lead to a 15-fold or greater enhancement of vapor generation, which shows the wide applications of this nano-ratchet.

Oxygen transport properties estimation by DSMC-CT simulations

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

Bruno, Domenico; Frezzotti, Aldo; Ghiroldi, Gian Pietro

Coupling DSMC simulations with classical trajectories calculations is emerging as a powerful tool to improve predictive capabilities of computational rarefied gas dynamics. The considerable increase of computational effort outlined in the early application of the method (Koura,1997) can be compensated by running simulations on massively parallel computers. In particular, GPU acceleration has been found quite effective in reducing computing time (Ferrigni,2012; Norman et al.,2013) of DSMC-CT simulations. The aim of the present work is to study rarefied Oxygen flows by modeling binary collisions through an accurate potential energy surface, obtained by molecular beams scattering (Aquilanti, et al.,1999). The accuracy ofmore » the method is assessed by calculating molecular Oxygen shear viscosity and heat conductivity following three different DSMC-CT simulation methods. In the first one, transport properties are obtained from DSMC-CT simulations of spontaneous fluctuation of an equilibrium state (Bruno et al, Phys. Fluids, 23, 093104, 2011). In the second method, the collision trajectory calculation is incorporated in a Monte Carlo integration procedure to evaluate the Taxman’s expressions for the transport properties of polyatomic gases (Taxman,1959). In the third, non-equilibrium zero and one-dimensional rarefied gas dynamic simulations are adopted and the transport properties are computed from the non-equilibrium fluxes of momentum and energy. The three methods provide close values of the transport properties, their estimated statistical error not exceeding 3%. The experimental values are slightly underestimated, the percentage deviation being, again, few percent.« less

Transport properties of correlated metals: A dynamical mean field theory perspective

NASA Astrophysics Data System (ADS)

Deng, Xiaoyu

Strongly correlated metals, including many transition metal oxides, are characterized by unconventional transport properties with anomalous temperature dependence. For example, in many systems Fermi liquid behavior holds only below an extremely low temperature while at high temperature these bad metals have large resistivity which exceeds the Mott-Ioffe-Regel (MIR) limit. Material specific calculation of these anomalous transport properties is an outstanding challenge. Recent advances enabled us to study the transport and optical properties of two archetypal correlated oxides, vanadium oxides and ruthenates, using the LDA +DMFT method. In V2O3, the prototypical Mott system, our computed resistivity and optical conductivity are in very good agreement with experimental measurements, which clearly demonstrates that the strong correlation dominates the transport of this material. Furthermore by expressing the resistivity in terms of an effective plasma frequency and an effective scattering rate, we uncover the so-called ''hidden Fermi liquid'' [1, 2, 3] behavior, in both the computed and measured optical response of V2O3. This paradigm explains the optics and transport in other materials such as NdNiO3 film and CaRuO3. In the ruthenates family, we carried out a systematical theoretical study on the transport properties of four metallic members, Sr2RuO4, Sr3Ru2O7, SrRuO3 and CaRuO3, which generally encapsulates the gradually structure evolution from two-dimension to three dimension. With a unified computational scheme, we are able to obtain the electronic structure and transport properties of all these materials. The computed effective mass enhancement, resistivity and optical conductivity are good agreement with experimental measurements, which indicates that electron-electron scattering dominates the transport of ruthenates. We explain why the single layered compound Sr2RuO4 has a relative weak correlation with respect to its siblings, which corroborates its good

Vapor Intrusion Estimation Tool for Unsaturated Zone Contaminant Sources. User’s Guide

DTIC Science & Technology

2016-08-30

324449 Page Intentionally Left Blank iii Executive Summary Soil vapor extraction (SVE) is a prevalent remediation approach for volatile contaminants...strength and location, vadose zone transport, and a model for estimating movement of soil -gas vapor contamination into buildings. The tool may be...framework for estimating the impact of a vadose zone contaminant source on soil gas concentrations and vapor intrusion into a building

Effective transport properties of composites of spheres

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

1994-06-01

The effective linear transport properties of composites of spheres may be studied by the methods of statistical physics. The analysis leads to an exact cluster expansion. The resulting expression for the transport coefficients may be evaluated approximately as the sum of a mean field contribution and correction terms, given by cluster integrals over two-sphere and three-sphere correlation functions. Calculations of this nature have been performed for the effective dielectric constant, as well as the effective elastic constants of composites of spheres. Accurate numerical data for the effective properties may be obtained by computer simulation. An efficient formulation uses multiple expansion in Cartesian coordinates and periodic boundary conditions. Extensive numerical results have been obtained for the effective dielectric constant of a suspension of randomly distributed spheres.

Effect of Channel Geometry and Properties of a Vapor-Gas Mixture on Volume Condensation in a Flow through a Nozzle

NASA Astrophysics Data System (ADS)

Sidorov, A. A.; Yastrebov, A. K.

2018-01-01

A method of direct numerical solution of the kinetic equation for the droplet size distribution function was used for the numerical investigation of volume condensation in a supersonic vapor-gas flow. Distributions of temperature for the gas phase and droplets, degree of supersaturation, pressure, fraction of droplets by weight, the number of droplets per unit mass, and of the nucleation rate along the channel were determined. The influence of nozzle geometry, mixture composition, and temperature dependence of the mixture properties on the investigated process was evaluated. It has been found that the nozzle divergence angle determines the vapor-gas mixture expansion rate: an increase in the divergence angle enhances the temperature decrease rate and the supersaturation degree raise rate. With an increase or decrease in the partial pressure of incondensable gas, the droplet temperature approaches the gas phase temperature or the saturation temperature at the partial gas pressure, respectively. A considerable effect of the temperature dependence of the liquid surface tension and properties on gas phase parameters and the integral characteristics of condensation aerosol was revealed. However, the difference in results obtained with or without considering the temperature dependence of evaporation heat is negligible. The predictions are compared with experimental data of other investigations for two mixtures: a mixture of heavy water vapor with nitrogen (incondensable gas) or n-nonane vapor with nitrogen. The predictions agree quite well qualitatively and quantitatively with the experiment. The comparison of the predictions with numerical results from other publications obtained using the method of moments demonstrates the usefulness of the direct numerical solution method and the method of moments in a wide range of input data.

Atmospheric Dispersion about a Heavy Gas Vapor Detention System.

NASA Astrophysics Data System (ADS)

Shin, Seong-Hee

Dispersion of liquefied natural gas (LNG) in the event of an accidental spill is a major concern in LNG storage and transport safety planning, hazard response, and facility siting. Falcon Series large scale LNG spill experiments were planned by Lawrence Livermore National Laboratory (LLNL) for the Department of Transportation (DOT) and the Gas Research Institute (GRI) as part of a joint government/industry study in 1987 to evaluate the effectiveness of vapor fences as a mitigating technique for accidental release of LNG and to assist in validating wind tunnel and numerical methods for vapor dispersion simulation. Post-field-spill wind-tunnel experiments were performed in Environmental Wind Tunnel (EWT) (1988, 1989) to augment the LNG Vapor Fence Program data obtained during the Falcon Test Series. The program included four different model length scales and two different simulant gases. The purpose of this program is to provide a basis for the analysis of the simulation of physical modeling tests using proper physical modeling techniques and to assist in the development and verification of analytical models. Field data and model data were compared and analyzed by surface pattern comparisons and statistical methods. A layer-averaged slab model developed by Meroney et al. (1988) (FENC23) was expanded to evaluate an enhanced entrainment model proposed for dense gas dispersion including the effect of vapor barriers, and the numerical model was simulated for Falcon tests without the fence and with the vapor fence to examine the effectiveness of vapor detention system on heavy gas dispersion. Model data and the field data were compared with the numerical model data, and degree of similarity between data were assessed.

A simple theoretical model of heat and moisture transport in multi-layer garments in cool ambient air.

PubMed

Wissler, Eugene H; Havenith, George

2009-03-01

Overall resistances for heat and vapor transport in a multilayer garment depend on the properties of individual layers and the thickness of any air space between layers. Under uncomplicated, steady-state conditions, thermal and mass fluxes are uniform within the garment, and the rate of transport is simply computed as the overall temperature or water concentration difference divided by the appropriate resistance. However, that simple computation is not valid under cool ambient conditions when the vapor permeability of the garment is low, and condensation occurs within the garment. Several recent studies have measured heat and vapor transport when condensation occurs within the garment (Richards et al. in Report on Project ThermProject, Contract No. G6RD-CT-2002-00846, 2002; Havenith et al. in J Appl Physiol 104:142-149, 2008). In addition to measuring cooling rates for ensembles when the skin was either wet or dry, both studies employed a flat-plate apparatus to measure resistances of individual layers. Those data provide information required to define the properties of an ensemble in terms of its individual layers. We have extended the work of previous investigators by developing a rather simple technique for analyzing heat and water vapor transport when condensation occurs within a garment. Computed results agree well with experimental results reported by Richards et al. (Report on Project ThermProject, Contract No. G6RD-CT-2002-00846, 2002) and Havenith et al. (J Appl Physiol 104:142-149, 2008). We discuss application of the method to human subjects for whom the rate of sweat secretion, instead of the partial pressure of water on the skin, is specified. Analysis of a more complicated five-layer system studied by Yoo and Kim (Text Res J 78:189-197, 2008) required an iterative computation based on principles defined in this paper.

Large single crystal growth, transport property, and spectroscopic characterizations of three-dimensional Dirac semimetal Cd3As2.

PubMed

Sankar, R; Neupane, M; Xu, S-Y; Butler, C J; Zeljkovic, I; Panneer Muthuselvam, I; Huang, F-T; Guo, S-T; Karna, Sunil K; Chu, M-W; Lee, W L; Lin, M-T; Jayavel, R; Madhavan, V; Hasan, M Z; Chou, F C

2015-08-14

The three dimensional (3D) Dirac semimetal is a new quantum state of matter that has attracted much attention recently in physics and material science. Here, we report on the growth of large plate-like single crystals of Cd3As2 in two major orientations by a self-selecting vapor growth (SSVG) method, and the optimum growth conditions have been experimentally determined. The crystalline imperfections and electrical properties of the crystals were examined with transmission electron microscopy (TEM), scanning tunneling microscopy (STM), and transport property measurements. This SSVG method makes it possible to control the as-grown crystal compositions with excess Cd or As leading to mobilities near 5-10(5) cm(2)V(-1)s(-1). Zn-doping can effectively reduce the carrier density to reach the maximum residual resistivity ratio (RRRρ300K/ρ5K) of 7.6. A vacuum-cleaved single crystal has been investigated using angle-resolved photoemission spectroscopy (ARPES) to reveal a single Dirac cone near the center of the surface Brillouin zone with a binding energy of approximately 200 meV.

The cluster model of a hot dense vapor

NASA Astrophysics Data System (ADS)

Zhukhovitskii, D. I.

2015-04-01

We explore thermodynamic properties of a vapor in the range of state parameters where the contribution to thermodynamic functions from bound states of atoms (clusters) dominates over the interaction between the components of the vapor in free states. The clusters are assumed to be light and sufficiently "hot" for the number of bonds to be minimized. We use the technique of calculation of the cluster partition function for the cluster with a minimum number of interatomic bonds to calculate the caloric properties (heat capacity and velocity of sound) for an ideal mixture of the lightest clusters. The problem proves to be exactly solvable and resulting formulas are functions solely of the equilibrium constant of the dimer formation. These formulas ensure a satisfactory correlation with the reference data for the vapors of cesium, mercury, and argon up to moderate densities in both the sub- and supercritical regions. For cesium, we extend the model to the densities close to the critical one by inclusion of the clusters of arbitrary size. Knowledge of the cluster composition of the cesium vapor makes it possible to treat nonequilibrium phenomena such as nucleation of the supersaturated vapor, for which the effect of the cluster structural transition is likely to be significant.

The cluster model of a hot dense vapor

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

Zhukhovitskii, D. I., E-mail: dmr@ihed.ras.ru

2015-04-28

We explore thermodynamic properties of a vapor in the range of state parameters where the contribution to thermodynamic functions from bound states of atoms (clusters) dominates over the interaction between the components of the vapor in free states. The clusters are assumed to be light and sufficiently “hot” for the number of bonds to be minimized. We use the technique of calculation of the cluster partition function for the cluster with a minimum number of interatomic bonds to calculate the caloric properties (heat capacity and velocity of sound) for an ideal mixture of the lightest clusters. The problem proves tomore » be exactly solvable and resulting formulas are functions solely of the equilibrium constant of the dimer formation. These formulas ensure a satisfactory correlation with the reference data for the vapors of cesium, mercury, and argon up to moderate densities in both the sub- and supercritical regions. For cesium, we extend the model to the densities close to the critical one by inclusion of the clusters of arbitrary size. Knowledge of the cluster composition of the cesium vapor makes it possible to treat nonequilibrium phenomena such as nucleation of the supersaturated vapor, for which the effect of the cluster structural transition is likely to be significant.« less

Electrical property of macroscopic graphene composite fibers prepared by chemical vapor deposition

NASA Astrophysics Data System (ADS)

Sun, Haibin; Fu, Can; Gao, Yanli; Guo, Pengfei; Wang, Chunlei; Yang, Wenchao; Wang, Qishang; Zhang, Chongwu; Wang, Junya; Xu, Junqi

2018-07-01

Graphene fibers are promising candidates in portable and wearable electronics due to their tiny volume, flexibility and wearability. Here, we successfully synthesized macroscopic graphene composite fibers via a two-step process, i.e. first electrospinning and then chemical vapor deposition (CVD). Briefly, the well-dispersed PAN nanofibers were sprayed onto the copper surface in an electrified thin liquid jet by electrospinning. Subsequently, CVD growth process induced the formation of graphene films using a PAN-solid source of carbon and a copper catalyst. Finally, crumpled and macroscopic graphene composite fibers were obtained from carbon nanofiber/graphene composite webs by self-assembly process in the deionized water. Temperature-dependent conduct behavior reveals that electron transport of the graphene composite fibers belongs to hopping mechanism and the typical electrical conductivity reaches 4.59 × 103 S m‑1. These results demonstrated that the graphene composite fibers are promising for the next-generation flexible and wearable electronics.

Electrical property of macroscopic graphene composite fibers prepared by chemical vapor deposition.

PubMed

Sun, Haibin; Fu, Can; Gao, Yanli; Guo, Pengfei; Wang, Chunlei; Yang, Wenchao; Wang, Qishang; Zhang, Chongwu; Wang, Junya; Xu, Junqi

2018-07-27

Graphene fibers are promising candidates in portable and wearable electronics due to their tiny volume, flexibility and wearability. Here, we successfully synthesized macroscopic graphene composite fibers via a two-step process, i.e. first electrospinning and then chemical vapor deposition (CVD). Briefly, the well-dispersed PAN nanofibers were sprayed onto the copper surface in an electrified thin liquid jet by electrospinning. Subsequently, CVD growth process induced the formation of graphene films using a PAN-solid source of carbon and a copper catalyst. Finally, crumpled and macroscopic graphene composite fibers were obtained from carbon nanofiber/graphene composite webs by self-assembly process in the deionized water. Temperature-dependent conduct behavior reveals that electron transport of the graphene composite fibers belongs to hopping mechanism and the typical electrical conductivity reaches 4.59 × 10 3 S m -1 . These results demonstrated that the graphene composite fibers are promising for the next-generation flexible and wearable electronics.

Water vapor sorption properties of cellulose nanocrystals and nanofibers using dynamic vapor sorption apparatus.

PubMed

Guo, Xin; Wu, Yiqiang; Xie, Xinfeng

2017-10-27

Hygroscopic behavior is an inherent characteristic of nanocellulose which strongly affects its applications. In this study, the water vapor sorption behavior of four nanocellulose samples, such as cellulose nanocrystals and nanofibers with cellulose I and II structures (cellulose nanocrystals (CNC) I, CNC II, cellulose nanofibers (CNF) I, and CNF II) were studied by dynamic vapor sorption. The highly reproducible data including the running time, real-time sample mass, target relative humidity (RH), actual RH, and isotherm temperature were recorded during the sorption process. In analyzing these data, significant differences in the total running time, equilibrium moisture content, sorption hysteresis and sorption kinetics between these four nanocellulose samples were confirmed. It was important to note that CNC I, CNC II, CNF I, and CNF II had equilibrium moisture contents of 21.4, 28.6, 33.2, and 38.9%, respectively, at a RH of 95%. Then, the sorption kinetics behavior was accurately described by using the parallel exponential kinetics (PEK) model. Furthermore, the Kelvin-Voigt model was introduced to interpret the PEK behavior and calculate the modulus of these four nanocellulose samples.

Electrical and Thermal Transport Property Studies of High-Temperature Thermoelectric Materials.

DTIC Science & Technology

1985-06-01

THERMAL TRANSPORT PROPERTY STUDIES OF HIGH-TEMPERATURE THERMOELECTRIC MATERIALS: INTERIM TECHNICAL REPORT FOR THE PERIOD MAY 15, 1984 TO MAY 15, 1985 J. L...transport property data base has been expanded oy continued measurements in several systems under study, and a theoretical model for thermoelectric ...6.0 REFERENCES . . . . . . . . . . . . 6.1 APPENDIX A - THERMOELECTRIC PROPERTY DATA . . . . . . . A. I 1l FIGURES 3.1 Dimensionless Figure of Merit

Feasibility of retrieving dust properties and total column water vapor from solar spectra measured using a lander camera on Mars

NASA Astrophysics Data System (ADS)

Manago, Naohiro; Noguchi, Katsuyuki; Hashimoto, George L.; Senshu, Hiroki; Otobe, Naohito; Suzuki, Makoto; Kuze, Hiroaki

2017-12-01

Dust and water vapor are important constituents in the Martian atmosphere, exerting significant influence on the heat balance of the atmosphere and surface. We have developed a method to retrieve optical and physical properties of Martian dust from spectral intensities of direct and scattered solar radiation to be measured using a multi-wavelength environmental camera onboard a Mars lander. Martian dust is assumed to be composed of silicate-like substrate and hematite-like inclusion, having spheroidal shape with a monomodal gamma size distribution. Error analysis based on simulated data reveals that appropriate combinations of three bands centered at 450, 550, and 675 nm wavelengths and 4 scattering angles of 3°, 10°, 50°, and 120° lead to good retrieval of four dust parameters, namely, aerosol optical depth, effective radius and variance of size distribution, and volume mixing ratio of hematite. Retrieval error increases when some of the observational parameters such as color ratio or aureole are omitted from the retrieval. Also, the capability of retrieving total column water vapor is examined through observations of direct and scattered solar radiation intensities at 925, 935, and 972 nm. The simulation and error analysis presented here will be useful for designing an environmental camera that can elucidate the dust and water vapor properties in a future Mars lander mission.

Determination of Chlorinated Solvent Sorption by Porous Material-Application to Trichloroethene Vapor on Cement Mortar.

PubMed

Musielak, Marion; Brusseau, Mark L; Marcoux, Manuel; Morrison, Candice; Quintard, Michel

2014-08-01

Experiments have been performed to investigate the sorption of trichloroethene (TCE) vapor by concrete material or, more specifically, the cement mortar component. Gas-flow experiments were conducted using columns packed with small pieces of cement mortar obtained from the grinding of typical concrete material. Transport and retardation of TCE at high vapor concentrations (500 mg L -1 ) was compared to that of a non-reactive gas tracer (Sulfur Hexafluoride, SF6). The results show a large magnitude of retardation (retardation factor = 23) and sorption (sorption coefficient = 10.6 cm 3 g -1 ) for TCE, compared to negligible sorption for SF6. This magnitude of sorption obtained with pollutant vapor is much bigger than the one obtained for aqueous-flow experiments conducted for water-saturated systems. The considerable sorption exhibited for TCE under vapor-flow conditions is attributed to some combination of accumulation at the air-water interface and vapor-phase adsorption, both of which are anticipated to be significant for this system given the large surface area associated with the cement mortar. Transport of both SF6 and TCE was simulated successfully with a two-region physical non-equilibrium model, consistent with the dual-medium structure of the crushed cement mortar. This work emphasizes the importance of taking into account sorption phenomena when modeling transport of volatile organic compounds through concrete material, especially in regard to assessing vapor intrusion.

An efficient reliable method to estimate the vaporization enthalpy of pure substances according to the normal boiling temperature and critical properties.

PubMed

Mehmandoust, Babak; Sanjari, Ehsan; Vatani, Mostafa

2014-03-01

The heat of vaporization of a pure substance at its normal boiling temperature is a very important property in many chemical processes. In this work, a new empirical method was developed to predict vaporization enthalpy of pure substances. This equation is a function of normal boiling temperature, critical temperature, and critical pressure. The presented model is simple to use and provides an improvement over the existing equations for 452 pure substances in wide boiling range. The results showed that the proposed correlation is more accurate than the literature methods for pure substances in a wide boiling range (20.3-722 K).

Transport properties of porous media from the microstructure

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

Torquato, S.

The determination of the effective transport properties of a random porous medium remains a challenging area of research because the properties depend on the microstructure in a highly complex fashion. This paper reviews recent theoretical and experimental progress that we have made on various aspects of this problem. A unified approach is taken to characterize the microstructure and the seemingly disparate properties of the medium.

Influence of incoherent twin boundaries on the electrical properties of β-Ga2O3 layers homoepitaxially grown by metal-organic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Fiedler, A.; Schewski, R.; Baldini, M.; Galazka, Z.; Wagner, G.; Albrecht, M.; Irmscher, K.

2017-10-01

We present a quantitative model that addresses the influence of incoherent twin boundaries on the electrical properties in β-Ga2O3. This model can explain the mobility collapse below a threshold electron concentration of 1 × 1018 cm-3 as well as partly the low doping efficiency in β-Ga2O3 layers grown homoepitaxially by metal-organic vapor phase epitaxy on (100) substrates of only slight off-orientation. A structural analysis by transmission electron microscopy (TEM) reveals a high density of twin lamellae in these layers. In contrast to the coherent twin boundaries parallel to the (100) plane, the lateral incoherent twin boundaries exhibit one dangling bond per unit cell that acts as an acceptor-like electron trap. Since the twin lamellae are thin, we consider the incoherent twin boundaries to be line defects with a density of 1011-1012 cm-2 as determined by TEM. We estimate the influence of the incoherent twin boundaries on the electrical transport properties by adapting Read's model of charged dislocations. Our calculations quantitatively confirm that the mobility reduction and collapse as well as partly the compensation are due to the presence of twin lamellae.

Node-node correlations and transport properties in scale-free networks

NASA Astrophysics Data System (ADS)

Obregon, Bibiana; Guzman, Lev

2011-03-01

We study some transport properties of complex networks. We focus our attention on transport properties of scale-free and small-world networks and compare two types of transport: Electric and max-flow cases. In particular, we construct scale-free networks, with a given degree sequence, to estimate the distribution of conductances for different values of assortative/dissortative mixing. For the electric case we find that the distributions of conductances are affect ed by the assortative mixing of the network whereas for the max-flow case, the distributions almost do not show changes when node-node correlations are altered. Finally, we compare local and global transport in terms of the average conductance for the small-world (Watts-Strogatz) model

Chemical-Vapor-Deposited Diamond Film

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa

1999-01-01

This chapter describes the nature of clean and contaminated diamond surfaces, Chemical-vapor-deposited (CVD) diamond film deposition technology, analytical techniques and the results of research on CVD diamond films, and the general properties of CVD diamond films. Further, it describes the friction and wear properties of CVD diamond films in the atmosphere, in a controlled nitrogen environment, and in an ultra-high-vacuum environment.

REVIEW OF RECENT RESEARCH ON VAPOR INTRUSTION

EPA Science Inventory

This report reviews current and recent research in the area of vapor intrusion of organic compounds into residential buildings. We begin with a description of the challenges in evaluating the subsurface-to-indoor air pathway. A discussion of the fate and transport mechanisms affe...

Transport properties of β-FeSi2

NASA Astrophysics Data System (ADS)

Arushanov, Ernest; Lisunov, Konstantin G.

2015-07-01

The aim of this paper is to summarize considerable experimental efforts undertaken within the last decades in the investigations of transport properties of β-FeSi2. The β-FeSi2 compound is the most investigated among a family of semiconducting silicides. This material has received considerable attention as an attractive material for optoelectronic, photonics, photovoltaics and thermoelectric applications. Previous reviews of the transport properties of β-FeSi2 have been given by Lange and Ivanenko et al. about 15 years ago. The Hall effect, the conductivity, the mobility and the magnetoresistance data are presented. Main attention is paid to the discussion of the impurity (defect) band conductivity, the anomalous Hall effect, the scattering mechanisms of charge carriers, as well as to the hopping conduction and the magnetoresistance.

Properties of zinc tin oxide thin film by aerosol assisted chemical vapor deposition (AACVD)

NASA Astrophysics Data System (ADS)

Riza, Muhammad Arif; Rahman, Abu Bakar Abd; Sepeai, Suhaila; Ludin, Norasikin Ahmad; Teridi, Mohd Asri Mat; Ibrahim, Mohd Adib

2018-05-01

This study focuses on the properties of ZTO which have been deposited by a low-cost method namely aerosol assisted chemical vapor deposition (AACVD). The precursors used in this method were zinc acetate dihidrate and tin chloride dihydrate for ZTO thin film deposition. Both precursors were mixed and stirred until fully dissolved before deposition. The ZTO was deposited on borosilicate glass substrate for the investigation of optical properties. The films deposited have passed the scotch tape adherence test. XRD revealed that the crystal ZTO is slightly in the form of perovskite structure but several deteriorations were also seen in the spectrum. The UV-Vis analysis showed high transmittance of ˜85% and the band gap was calculated to be 3.85 eV. The average thickness of the film is around 284 nm. The results showed that the ZTO thin films have been successfully deposited by the utilization of AACVD method.

Improvements to water vapor transmission and capillary absorption measurements in porous materials

Treesearch

Samuel L. Zelinka; Samuel V. Glass; Charles R. Boardman

2016-01-01

The vapor permeability (or equivalently the vapor diffusion resistance factor) and the capillary absorption coefficient are frequently used as inputs to hygrothermal or heat, air, and moisture (HAM) models. However, it has been well documented that the methods used to determine these properties are sensitive to the operator, and wide variations in the properties have...

Study on the Electronic Transport Properties of Zigzag GaN Nanotubes

NASA Astrophysics Data System (ADS)

Li, Enling; Wang, Xiqiang; Hou, Liping; Zhao, Danna; Dai, Yuanbin; Wang, Xuewen

2011-02-01

The electronic transport properties of zigzag GaN nanotubes (n, 0) (4 <= n <= 9) have been calculated using the density functional theory and non-equilibrium Green's functions method. Firstly, the density functional theory (DFT) is used to optimize and calculate the electronic structure of GaNNTs (n, 0) (4<=n<=9). Secondly, DFT and non-equilibrium Green function (NEGF) method are also used to predict the electronic transport properties of GaNNTs two-probe system. The results showed: there is a corresponding relation between the electronic transport properties and the valley of state density of each GaNNT. In addition, the volt-ampere curve of GaNNT is approximately linear.

Transport Properties of Metallic Ruthenates: A DFT +DMFT Investigation

NASA Astrophysics Data System (ADS)

Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel

2016-06-01

We present a systematical theoretical study on the transport properties of an archetypal family of Hund's metals, Sr2RuO4 , Sr3 Ru2 O7 , SrRuO3 , and CaRuO3 , within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund's metals fall into the scenario of "resilient quasiparticles." We explain why the single layered compound Sr2 RuO4 has a relative weak correlation with respect to its siblings, which corroborates its good metallicity.

Grain Growth in Cu2ZnSnS4 Thin Films Using Sn Vapor Transport for Photovoltaic Applications

NASA Astrophysics Data System (ADS)

Toyama, Toshihiko; Konishi, Takafumi; Seo, Yuichi; Tsuji, Ryotaro; Terai, Kengo; Nakashima, Yuto; Okamoto, Hiroaki; Tsutsumi, Yasuo

2013-07-01

Cu2ZnSnS4 thin films containing grains grown using Sn vapor transport (TVT) were investigated. Structural characterization revealed that the grain sizes were equal to or larger than the film thickness (1-4 µm) and significantly larger than those in the case of growth without TVT (60 nm). Furthermore, no phase separation was detected. Photothermal diffraction spectroscopy revealed that the optical absorption coefficient was very low in the subgap region, 7×101 cm-1, suggesting the suppression of defect formation. Finally, a TVT-processed thin film was used as an absorber in a solar cell, and a conversion efficiency of 6.9% was achieved.

Temperature dependent electrical properties of polyaniline film grown on paper through aniline vapor polymerization

NASA Astrophysics Data System (ADS)

Deb, K.; Bhowmik, K. L.; Bera, A.; Chattopadhyay, K. K.; Saha, B.

2016-05-01

Polyaniline thin film has been prepared on paper by aniline vapor deposition technique. Ferric chloride has been used as polymerizing agent in this approach. The prepared films were studied through electrical resistivity and optical properties measurements. The electrical resistivity of the polyaniline film shows significant temperature dependence. The resistance sharply falls with the increase in temperature. The optical absorbance measurements shows characteristics absorbance peak indicating the formation of conducting emeraldine salt form of polyaniline. The optical energy band gap of the film was calculated from the transmittance spectra. The optical energy band gap and electrical conductivity of the polyaniline film is well suited for their applications in electronic devices.

Vapor-liquid phase separator studies

NASA Technical Reports Server (NTRS)

Yuan, S. W. K.; Lee, J. M.; Kim, Y. I.; Hepler, W. A.; Frederking, T. H. K.

1983-01-01

Porous plugs serve as both entropy rejection devices and phase separation components separating the vapor phase on the downstream side from liquid Helium 2 upstream. The liquid upstream is the cryo-reservoir fluid needed for equipment cooling by means of Helium 2, i.e Helium-4 below its lambda temperature in near-saturated states. The topics outlined are characteristic lengths, transport equations and plug results.

Large-Scale Synthesis of Carbon Nanomaterials by Catalytic Chemical Vapor Deposition: A Review of the Effects of Synthesis Parameters and Magnetic Properties

PubMed Central

Qi, Xiaosi; Qin, Chuan; Zhong, Wei; Au, Chaktong; Ye, Xiaojuan; Du, Youwei

2010-01-01

The large-scale production of carbon nanomaterials by catalytic chemical vapor deposition is reviewed in context with their microwave absorbing ability. Factors that influence the growth as well as the magnetic properties of the carbon nanomaterials are discussed. PMID:28883324

Water Vapor Remote Sensing Techniques: Radiometry and Solar Spectrometry

NASA Astrophysics Data System (ADS)

Somieski, A.; Buerki, B.; Cocard, M.; Geiger, A.; Kahle, H.-G.

The high variability of atmospheric water vapor content plays an important role in space geodesy, climatology and meteorology. Water vapor has a strong influence on transatmospheric satellite signals, the Earth's climate and thus the weather forecasting. Several remote sensing techniques have been developed for the determination of inte- grated precipitable water vapor (IPWV). The Geodesy and Geodynamics Lab (GGL) utilizes the methods of Water Vapor Radiometry and Solar Spectrometry to quantify the amount of tropospheric water vapor and its temporal variations. The Water Vapor Radiometer (WVR) measures the radiation intensity of the atmosphere in a frequency band ranging from 20 to 32 GHz. The Solar Atmospheric MOnitoring Spectrome- ter (SAMOS) of GGL is designed for high-resolution measurements of water vapor absorption lines using solar radiation. In the framework of the ESCOMPTE (ExpÊrience sur Site pour COntraindre les Mod- Éles de Pollution atmosphÊrique et de Transport d'Emissions) field campaign these instruments have been operated near Marseille in 2001. They have aquired a long time series of integrated precipitable water vapor content (IPWV). The accuracy of IPWV measured by WVR and SAMOS is 1 kg/m2. Furthermore meteorological data from radiosondes were used to calculate the IPWV in order to provide comparisons with the results of WVR and SAMOS. The methods of Water Vapor Radiometry and So- lar Spectrometry will be discussed and first preliminary results retrieved from WVR, SAMOS and radiosondes during the ESCOMPTE field campaign will be presented.

Lunar magma transport phenomena

NASA Technical Reports Server (NTRS)

Spera, Frank J.

1992-01-01

An outline of magma transport theory relevant to the evolution of a possible Lunar Magma Ocean and the origin and transport history of the later phase of mare basaltic volcanism is presented. A simple model is proposed to evaluate the extent of fractionation as magma traverses the cold lunar lithosphere. If Apollo green glasses are primitive and have not undergone significant fractionation en route to the surface, then mean ascent rates of 10 m/s and cracks of widths greater than 40 m are indicated. Lunar tephra and vesiculated basalts suggest that a volatile component plays a role in eruption dynamics. The predominant vapor species appear to be CO CO2, and COS. Near the lunar surface, the vapor fraction expands enormously and vapor internal energy is converted to mixture kinetic energy with the concomitant high-speed ejection of vapor and pyroclasts to form lunary fire fountain deposits such as the Apollo 17 orange and black glasses and Apollo 15 green glass.

An efficient reliable method to estimate the vaporization enthalpy of pure substances according to the normal boiling temperature and critical properties

PubMed Central

Mehmandoust, Babak; Sanjari, Ehsan; Vatani, Mostafa

2013-01-01

The heat of vaporization of a pure substance at its normal boiling temperature is a very important property in many chemical processes. In this work, a new empirical method was developed to predict vaporization enthalpy of pure substances. This equation is a function of normal boiling temperature, critical temperature, and critical pressure. The presented model is simple to use and provides an improvement over the existing equations for 452 pure substances in wide boiling range. The results showed that the proposed correlation is more accurate than the literature methods for pure substances in a wide boiling range (20.3–722 K). PMID:25685493

Enhanced photoluminescence and Raman properties of Al-Doped ZnO nanostructures prepared using thermal chemical vapor deposition of methanol assisted with heated brass.

PubMed

Thandavan, Tamil Many K; Gani, Siti Meriam Abdul; San Wong, Chiow; Md Nor, Roslan

2015-01-01

Vapor phase transport (VPT) assisted by mixture of methanol and acetone via thermal evaporation of brass (CuZn) was used to prepare un-doped and Al-doped zinc oxide (ZnO) nanostructures (NSs). The structure and morphology were characterized by field emission scanning electron microscopy (FESEM) and x-ray diffraction (XRD). Photoluminescence (PL) properties of un-doped and Al-doped ZnO showed significant changes in the optical properties providing evidence for several types of defects such as zinc interstitials (Zni), oxygen interstitials (Oi), zinc vacancy (Vzn), singly charged zinc vacancy (VZn-), oxygen vacancy (Vo), singly charged oxygen vacancy (Vo+) and oxygen anti-site defects (OZn) in the grown NSs. The Al-doped ZnO NSs have exhibited shifted PL peaks at near band edge (NBE) and red luminescence compared to the un-doped ZnO. The Raman scattering results provided evidence of Al doping into the ZnO NSs due to peak shift from 145 cm-1 to an anomalous peak at 138 cm-1. Presence of enhanced Raman signal at around 274 and 743 cm-1 further confirmed Al in ZnO NSs. The enhanced D and G band in all Al-doped ZnO NSs shows possible functionalization and doping process in ZnO NSs.

Electron Transport Properties of Ge nanowires

NASA Astrophysics Data System (ADS)

Hanrath, Tobias; Khondaker, Saiful I.; Yao, Zhen; Korgel, Brian A.

2003-03-01

Electron Transport Properties of Ge nanowires Tobias Hanrath*, Saiful I. Khondaker, Zhen Yao, Brian A. Korgel* *Dept. of Chemical Engineering, Dept. of Physics, Texas Materials Institute, and Center for Nano- and Molecular Science and Technology University of Texas at Austin, Austin, Texas 78712-1062 e-mail: korgel@mail.che.utexas.edu Germanium (Ge) nanowires with diameters ranging from 6 to 50 nm and several micrometer in length were grown via a supercritical fluid-liquid-solid synthesis. Parallel electron energy loss spectroscopy (PEELS) was employed to study the band structure and electron density in the Ge nanowires. The observed increase in plasmon peak energy and peak width with decreasing nanowire diameter is attributed to quantum confinement effects. For electrical characterization, Ge nanowires were deposited onto a patterned Si/SiO2 substrate. E-beam lithography was then used to form electrode contacts to individual nanowires. The influence of nanowire diameter, surface chemistry and crystallographic defects on electron transport properties were investigated and the comparison of Ge nanowire conductivity with respect to bulk, intrinsic Ge will be presented.

Vapor Phase Growth of High-Quality Bi-Te Compounds Using Elemental Bi and Te Sources: A Comparison Between High Vacuum and Atmospheric Pressure

NASA Astrophysics Data System (ADS)

Concepción, O.; Escobosa, A.; de Melo, O.

2018-03-01

Bismuth telluride (Bi2Te3), traditionally used in the industry as thermoelectric material, has deserved much attention recently due to its properties as a topological insulator, a kind of material that might have relevant applications in spintronics or quantum computing, among other innovative uses. The preparation of high-quality material has become a very important technological task. Here, we compare the preparation of Bi2Te3 by physical vapor transport from the evaporation of elemental Bi and Te sources, under either low pressure or atmospheric pressure. The layers were characterized by different techniques to evaluate its structural properties. As a result, it is concluded that, as a consequence of the different transport regimes, films grown at atmospheric pressure present better crystal quality.

What controls deposition rate in electron-beam chemical vapor deposition?

PubMed

White, William B; Rykaczewski, Konrad; Fedorov, Andrei G

2006-08-25

The key physical processes governing electron-beam-assisted chemical vapor deposition are analyzed via a combination of theoretical modeling and supporting experiments. The scaling laws that define growth of the nanoscale deposits are developed and verified using carefully designed experiments of carbon deposition from methane onto a silicon substrate. The results suggest that the chamber-scale continuous transport of the precursor gas is the rate controlling process in electron-beam chemical vapor deposition.

Highly crystalline films of PCPDTBT with branched side chains by solvent vapor crystallization: influence on opto-electronic properties.

PubMed

Fischer, Florian S U; Trefz, Daniel; Back, Justus; Kayunkid, Navaphun; Tornow, Benjamin; Albrecht, Steve; Yager, Kevin G; Singh, Gurpreet; Karim, Alamgir; Neher, Dieter; Brinkmann, Martin; Ludwigs, Sabine

2015-02-18

PCPDTBT, a marginally crystallizable polymer, is crystallized into a new crystal structure using solvent-vapor annealing. Highly ordered areas with three different polymer-chain orientations are identified using TEM/ED, GIWAXS, and polarized Raman spectroscopy. The optical and structural properties differ significantly from films prepared by standard device preparation protocols. Bilayer solar cells, however, show similar performance. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Transport Properties of Metallic Ruthenates: A DFT + DMFT Investigation

DOE PAGES

Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel

2016-06-20

We present a systematical theoretical study on the transport properties of an archetypal family of Hund’s metals, Sr 2RuO 4, Sr 3Ru2O 7, SrRuO 3, and CaRuO 3, within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund’s metals fall into the scenario of “resilient quasiparticles.” We explain why the single layered compound Sr 2RuO 4 has amore » relative weak correlation with respect to its siblings, which corroborates its good metallicity.« less

Bionanomaterials and Bioinspired Nanostructures for Selective Vapor Sensing

NASA Astrophysics Data System (ADS)

Potyrailo, Radislav; Naik, Rajesh R.

2013-07-01

At present, monitoring of air at the workplace, in urban environments, and on battlefields; exhaled air from medical patients; air in packaged food containers; and so forth can be accomplished with different types of analytical instruments. Vapor sensors have their niche in these measurements when an unobtrusive, low-power, and cost-sensitive technical solution is required. Unfortunately, existing vapor sensors often degrade their vapor-quantitation accuracy in the presence of high levels of interferences and cannot quantitate several components in complex gas mixtures. Thus, new sensing approaches with improved sensor selectivity are required. This technological task can be accomplished by the careful design of sensing materials with new performance properties and by coupling these materials with the suitable physical transducers. This review is focused on the assessment of the capabilities of bionanomaterials and bioinspired nanostructures for selective vapor sensing. We demonstrate that these sensing materials can operate with diverse transducers based on electrical, mechanical, and optical readout principles and can provide vapor-response selectivity previously unattainable by using other sensing materials. This ability for selective vapor sensing provides opportunities to significantly impact the major directions in development and application scenarios of vapor sensors.

Transport properties of proton-exchange membranes: Effect of supercritical-fluid processing and chemical functionality

NASA Astrophysics Data System (ADS)

Pulido Ayazo

NafionRTM membranes commonly used in direct methanol fuel cells (DMFC), are tipically limited by high methanol permeability (also known as the cross-over limitation). These membranes have phase segregated sulfonated ionic domains in a perfluorinated backbone, which makes processing challenging and limited by phase equilibria considerations. This study used supercritical fluids (SCFs) as a processing alternative, since the gas-like mass transport properties of SCFs allow a better penetration into the membranes and the use of polar co-solvents influenced their morphology, fine-tuning the physical and transport properties in the membrane. Measurements of methanol permeability and proton conductivity were performed to the NafionRTM membranes processed with SCFs at 40ºC and 200 bar and the co-solvents as: acetone, tetrahydrofuran (THF), isopropyl alcohol, HPLC-grade water, acetic acid, cyclohexanone. The results obtained for the permeability data were of the order of 10 -8-10-9 cm2/s, two orders of magnitude lower than unprocessed Nafion. Proton conductivity results obtained using AC impedance electrochemical spectroscopy was between 0.02 and 0.09 S/cm, very similar to the unprocessed Nafion. SCF processing with ethanol as co-solvent reduced the methanol permeability by two orders of magnitude, while the proton conductivity was only reduced by 4%. XRD analysis made to the treated samples exhibited a decreasing pattern in the crystallinity, which affects the transport properties of the membrane. Also, SAXS profiles of the Nafion membranes processed were obtained with the goal of determining changes produced by the SCF processing in the hydrophilic domains of the polymer. With the goal of searching for new alternatives in proton exchange membranes (PEMs) triblock copolymer of poly(styrene-isobutylene-styrene) (SIBS) and poly(styrene-isobutylene-styrene) SEBS were studied. These sulfonated tri-block copolymers had lower methanol permeabilities, but also lower proton

Crystal Growth by Physical Vapor Transport: Experiments and Simulation Dynamics

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Worlikar, A.; Su, Ching-Hua; Rose, M. Franklin (Technical Monitor)

2001-01-01

Crystal growth from the vapor phase has various advantages over melt growth. The main advantage is from a lower processing temperature, which makes the process more amenable in instances where the melting temperature of the crystal is high. Other benefits stem from the inherent purification mechanism in the process due to differences in the vapor pressures of the native elements and impurities, and the enhanced interfacial morphological stability during the growth process. Further, the implementation of PVT growth in closed ampoules affords experimental simplicity with minimal needs for complex process control, which makes it an ideal candidate for space investigations in systems where gravity tends to have undesirable effects on the growth process. Bulk growth of wide band gap II-VI semiconductors by PVT has been developed and refined over the past several years at NASA MSFC. A new modeling approach for PVT has also been recently formulated and its validation and testing is the main objective of this work.

Numerical Modeling of Crystal of ZnSe by Physical Vapor Transport - Towards a more Comprehensive Formulations

NASA Technical Reports Server (NTRS)

Ramachandran, N.

1999-01-01

Crystal growth from the vapor phase has various advantages over melt growth. The main advantage is from a lower processing temperature which makes the process more amenable in instances where the melting temperature of the crystal is high. Other benefits stem from the inherent purification mechanism in the process due to differences in the vapor pressures of the native elements and impurities, and the enhanced interfacial morphological stability during the growth process. Further, the implementation of PVT growth in closed ampoules affords experimental simplicity with minimal needs for complex process control which makes it an ideal candidate for space investigations in systems where gravity tends to have undesirable effects on the growth process. Bulk growth of wide band gap II-VI semiconductors by physical vapor transport has been developed and refined over the past several years at NASA MSFC. Results from a modeling study of PVT crystal growth of ZnSe are reported in this paper. The PVT process is numerically investigated using both two-dimensional and fully three-dimensional formulation of the governing equations and associated boundary conditions. Both the incompressible Boussinesq approximation and the compressible model are tested to determine the influence of gravity on the process and to discern the differences between the two approaches. The influence of a residual gas is included in the models. The results show that both the incompressible and compressible approximations provide comparable results and the presence of a residual gas tends to measurably reduce the mass flux in the system. Detailed flow, thermal and concentration profiles will be provided in the final manuscript along with computed heat and mass transfer rates. Comparisons with the 1-D model will also be provided. The effect of gravity on the process from numerical computations shows subtle effects although experimental evidence from vertically and horizontally grown samples show dramatic

Trends of total water vapor column above the Arctic from satellites observations

NASA Astrophysics Data System (ADS)

Alraddawi, Dunya; Sarkissian, Alain; Keckhut, Philippe; Bock, Olivier; Claud, Chantal; Irbah, Abdenour

2016-04-01

Atmospheric water vapor (H2O) is the most important natural (as opposed to man-made) greenhouse gas, accounting for about two-thirds of the natural greenhouse effect. Despite this importance, its role in climate and its reaction to climate change are still difficult to assess. Many details of the hydrological cycle are poorly understood, such as the process of cloud formation and the transport and release of latent heat contained in the water vapor. In contrast to other important greenhouse gases like carbon dioxide (CO2) and methane, water vapor has a much higher temporal and spatial variability. Total precipitable water (TPW) or the total column of water vapor (TCWV) is the amount of liquid water that would result if all the water vapor in the atmospheric column of unit area were condensed. TCWV distribution contains valuable information on the vigor of the hydrological processes and moisture transport in the atmosphere. Measurement of TPW can be obtained based on atmospheric water vapor absorption or emission of radiation in the spectral range from UV to MW. TRENDS were found over the terrestrial Arctic by means of TCWV retrievals (using Moderate Resolution Imaging Spectro-radiometer (MODIS) near-infrared (2001-2015) records). More detailed approach was made for comparisons with ground based instruments over Sodankyla - Finland (TCWV from: SCIAMACHY 2003-2011, GOME-2A 2007-2011, SAOZ 2003-2011, GPS 2003-2011, MODIS 2003-2011)

Characterization of chemical agent transport in paints.

PubMed

Willis, Matthew P; Gordon, Wesley; Lalain, Teri; Mantooth, Brent

2013-09-15

A combination of vacuum-based vapor emission measurements with a mass transport model was employed to determine the interaction of chemical warfare agents with various materials, including transport parameters of agents in paints. Accurate determination of mass transport parameters enables the simulation of the chemical agent distribution in a material for decontaminant performance modeling. The evaluation was performed with the chemical warfare agents bis(2-chloroethyl) sulfide (distilled mustard, known as the chemical warfare blister agent HD) and O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate (VX), an organophosphate nerve agent, deposited on to two different types of polyurethane paint coatings. The results demonstrated alignment between the experimentally measured vapor emission flux and the predicted vapor flux. Mass transport modeling demonstrated rapid transport of VX into the coatings; VX penetrated through the aliphatic polyurethane-based coating (100 μm) within approximately 107 min. By comparison, while HD was more soluble in the coatings, the penetration depth in the coatings was approximately 2× lower than VX. Applications of mass transport parameters include the ability to predict agent uptake, and subsequent long-term vapor emission or contact transfer where the agent could present exposure risks. Additionally, these parameters and model enable the ability to perform decontamination modeling to predict how decontaminants remove agent from these materials. Published by Elsevier B.V.

Electrical Transport Properties of Liquid Al-Cu Alloys

NASA Astrophysics Data System (ADS)

Thakore, B. Y.; Khambholja, S. G.; Suthar, P. H.; Jani, A. R.

2010-06-01

Electrical transport properties viz. electrical resistivity, thermoelectric power and thermal conductivity of liquid Al-Cu alloys as a function of Cu concentration have been studied in the present paper. Ashcroft empty core model potential has been used to incorporate the ion-electron interaction. To incorporate the exchange and correlation effects, five different forms of local field correction functions viz. Hartree, Taylor, Ichimaru et al., Farid et al. and Sarkar et al. have been used. The transport properties of binary system have been studied using Faber-Ziman formulation combined with Ashcroft-Langreth (AL) partial structure factor. The computed values of electrical resistivity are compared with experimental data and for low Cu concentration, good agreement has been observed. Further, thermoelectric power and thermal conductivity have also been predicted.

Temperature dependent electrical properties of polyaniline film grown on paper through aniline vapor polymerization

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

Deb, K.; Bera, A.; Saha, B., E-mail: biswajit.physics@gmail.com

2016-05-23

Polyaniline thin film has been prepared on paper by aniline vapor deposition technique. Ferric chloride has been used as polymerizing agent in this approach. The prepared films were studied through electrical resistivity and optical properties measurements. The electrical resistivity of the polyaniline film shows significant temperature dependence. The resistance sharply falls with the increase in temperature. The optical absorbance measurements shows characteristics absorbance peak indicating the formation of conducting emeraldine salt form of polyaniline. The optical energy band gap of the film was calculated from the transmittance spectra. The optical energy band gap and electrical conductivity of the polyaniline filmmore » is well suited for their applications in electronic devices.« less

The role of thermal vapor diffusion in the subsurface hydrologic evolution of Mars

NASA Technical Reports Server (NTRS)

Clifford, Stephen M.

1991-01-01

The hydrologic response of groundwater to the thermal evolution of the early martian crust is considered. When a temperature gradient is present in a moist porous medium, it gives rise to a vapor-pressure gradient that drives the diffusion of water vapor from regions of high to low temperature. By this process, a geothermal gradient as small as 15 K/km could drive the vertical transport of 1 km of water to the freezing front at the base of the martian crysophere every 10 exp 6-10 exp 7 years, or the equivalent of about 100-1000 km of water over the course of martian geologic history. Models of the thermal history of Mars suggest that this thermally-driven vapor flux may have been as much as 3-5 times greater in the past. The magnitude of this transport suggests that the process of geothermally-induced vapor diffusion may have played a critical role in the initial emplacement of ground ice and the subsequent geomorphic and geochemical evolution of the martian crust.

Water vapor measurements in- and outside cirrus with the novel water vapor mass spectrometer AIMS-H2O

NASA Astrophysics Data System (ADS)

Kaufmann, Stefan; Schlage, Romy; Voigt, Christiane; Jurkat, Tina; Krämer, Martina; Rolf, Christian; Zöger, Martin; Schäfler, Andreas; Dörnbrack, Andreas

2015-04-01

Water vapor plays a crucial role for the earth's climate both directly via its radiative properties and indirectly due to its ability to form clouds. However, accurate measurements of especially low water vapor concentrations prevalent in the upper troposphere and lower stratosphere are difficult and exhibit large discrepancies between different instruments and methods. In order to address this issue and to provide a comprehensive water vapor data set necessary to gather a complete picture of cloud formation processes, four state-of-the-art hygrometers including the novel water vapor mass spectrometer AIMS-H2O were deployed on the DLR research aircraft HALO during the ML-Cirrus campaign in March/April 2014 over Europe. Here, we present first water vapor measurements of AIMS-H2O on HALO. The instrument performance is validated by intercomparison with the fluorescence hygrometer FISH and the laser hygrometer SHARC, both also mounted in the aircraft. This intercomparison shows good agreement between the instruments from low stratospheric mixing ratios up to higher H2O concentrations at upper tropospheric conditions. Gathering data from over 24 flight hours, no significant offsets between the instruments were found (mean of relative deviation

Vapor shielding models and the energy absorbed by divertor targets during transient events

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

Skovorodin, D. I., E-mail: dskovorodin@gmail.com; Arakcheev, A. S.; Pshenov, A. A.

2016-02-15

The erosion of divertor targets caused by high heat fluxes during transients is a serious threat to ITER operation, as it is going to be the main factor determining the divertor lifetime. Under the influence of extreme heat fluxes, the surface temperature of plasma facing components can reach some certain threshold, leading to an onset of intense material evaporation. The latter results in formation of cold dense vapor and secondary plasma cloud. This layer effectively absorbs the energy of the incident plasma flow, turning it into its own kinetic and internal energy and radiating it. This so called vapor shieldingmore » is a phenomenon that may help mitigating the erosion during transient events. In particular, the vapor shielding results in saturation of energy (per unit surface area) accumulated by the target during single pulse of heat load at some level E{sub max}. Matching this value is one of the possible tests to verify complicated numerical codes, developed to calculate the erosion rate during abnormal events in tokamaks. The paper presents three very different models of vapor shielding, demonstrating that E{sub max} depends strongly on the heat pulse duration, thermodynamic properties, and evaporation energy of the irradiated target material. While its dependence on the other shielding details such as radiation capabilities of material and dynamics of the vapor cloud is logarithmically weak. The reason for this is a strong (exponential) dependence of the target material evaporation rate, and therefore the “strength” of vapor shield on the target surface temperature. As a result, the influence of the vapor shielding phenomena details, such as radiation transport in the vapor cloud and evaporated material dynamics, on the E{sub max} is virtually completely masked by the strong dependence of the evaporation rate on the target surface temperature. However, the very same details define the amount of evaporated particles, needed to provide an effective

Ionic Vapor Composition in Critical and Supercritical States of Strongly Interacting Ionic Compounds.

PubMed

Chaban, Vitaly V; Prezhdo, Oleg V

2016-05-12

The critical point, CP (T, P), of the phase diagram quantifies the minimum amount of kinetic energy needed to prevent a substance from existing in a condensed phase. Therefore, the CP is closely related to the properties of the fluid far below the critical temperature. Approaches designed to predict thermophysical properties of a system necessarily aim to provide reliable estimates of the CP. Vice versa, CP estimation is impossible without knowledge of the vapor phase behavior. We report ab initio Born-Oppenheimer molecular dynamics (BOMD) simulations of sodium and potassium chlorides, NaCl and KCl, at and above their expected CPs. We advance the present knowledge regarding the existence of ionic species in the vapor phase by establishing significant percentages of atomic clusters: 29-30% in NaCl and 34-38% in KCl. A neutral pair of counterions is the most abundant cluster in the ionic vapors (ca. 35% of all vaporized ions exist in this form). Unexpectedly, an appreciable fraction of clusters is charged. The ionic vapor composition is determined by the vapor density, rather than the nature of the alkali ion. The previously suggested CPs of NaCl and KCl appear overestimated, based on the present simulations. The reported results offer essential insights into the ionic fluid properties and assist in development of thermodynamic theories. The ab initio BOMD method has been applied to investigate the vapor phase composition of an ionic fluid for the first time.

Equations of state and transport properties of mixtures in the warm dense regime

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

Hou, Yong; Dai, Jiayu; Kang, Dongdong

2015-02-15

We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide regionmore » of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.« less

Computer program for calculating thermodynamic and transport properties of fluids

NASA Technical Reports Server (NTRS)

Hendricks, R. C.; Braon, A. K.; Peller, I. C.

1975-01-01

Computer code has been developed to provide thermodynamic and transport properties of liquid argon, carbon dioxide, carbon monoxide, fluorine, helium, methane, neon, nitrogen, oxygen, and parahydrogen. Equation of state and transport coefficients are updated and other fluids added as new material becomes available.

Twin defects in thick stoichiometric lithium tantalate crystals prepared by a vapor transport equilibration method

NASA Astrophysics Data System (ADS)

Yang, Jinfeng; Sun, Jun; Xu, Jingjun; Li, Qinglian; Shang, Jifang; Zhang, Ling; Liu, Shiguo; Huang, Cunxin

2016-01-01

The twins were observed and investigated in vapor transport equilibration (VTE) treated lithium tantalate crystals by burying congruent lithium tantalate crystals (CLT) in a Li-rich polycrystalline powder. Twins and their etched patterns were observed under an optical polarizing microscope, and the geometry of the twins was discussed. Twin composition planes were the { 01 1 bar 2 } planes. The cause of twinning was analyzed and verified by experiment. The results indicate that the emergence of twins is due to sintering stress, which arises from sintered Li-rich polycrystalline powders at high temperature. 3.2 mm thick stoichiometric lithium tantalate (SLT) crystals without twins were obtained by setting corundum crucibles over the top of the crystals to make crystals free from the sintering stress. In addition, cracks were observed at the intersection of twin bands, and the stress caused by the dislocation pile-up was considered to be the reason for the formation of cracks.

On the vertical distribution of water vapor in the Martian tropics

NASA Technical Reports Server (NTRS)

Haberle, Robert M.

1988-01-01

Although measurements of the column abundance of atmospheric water vapor on Mars have been made, measurements of its vertical distribution have not. How water is distributed in the vertical is fundamental to atmosphere-surface exchange processes, and especially to transport within the atmosphere. Several lines of evidence suggest that in the lowest several scale heights of the atmosphere, water vapor is nearly uniformly distributed. However, most of these arguments are suggestive rather than conclusive since they only demonstrate that the altitude to saturation is very high if the observed amount of water vapor is distributed uniformly. A simple argument is presented, independent of the saturation constraint, which suggests that in tropical regions, water vapor on Mars should be very nearly uniformly mixed on an annual and zonally averaged basis.

Nanoporous Cyanate Ester Resins: Structure-Gas Transport Property Relationships

NASA Astrophysics Data System (ADS)

Gusakova, Kristina; Fainleib, Alexander; Espuche, Eliane; Grigoryeva, Olga; Starostenko, Olga; Gouanve, Fabrice; Boiteux, Gisèle; Saiter, Jean-Marc; Grande, Daniel

2017-04-01

This contribution addresses the relationships between the structure and gas transport properties of nanoporous thermostable cyanate ester resins (CERs) derived from polycyclotrimerization of 1,1'-bis(4-cyanatophenyl)ethane in the presence of 30 or 50 wt% of inert high-boiling temperature porogens (i.e., dimethyl- or dibutyl phthalates), followed by their quantitative removal. The nanopores in the films obtained were generated via a chemically induced phase separation route with further porogen extraction from the densely crosslinked CERs. To ensure a total desorption of the porogen moieties from the networks, an additional short-term thermal annealing at 250 °C was performed. The structure and morphology of such nanoporous CER-based films were investigated by FTIR and SEM techniques, respectively. Further, the gas transport properties of CER films were analyzed after the different processing steps, and relationships between the material structure and the main gas transport parameters were established.

Mechanical properties of ultrahigh molecular weight PHEMA hydrogels synthesized using initiated chemical vapor deposition.

PubMed

Bose, Ranjita K; Lau, Kenneth K S

2010-08-09

In this work, poly(2-hydroxyethyl methacrylate) (PHEMA), a widely used hydrogel, is synthesized using initiated chemical vapor deposition (iCVD), a one-step surface polymerization that does not use any solvents. iCVD synthesis is capable of producing linear stoichiometric polymers that are free from entrained unreacted monomer or solvent and, thus, do not require additional purification steps. The resulting films, therefore, are found to be noncytotoxic and also have low nonspecific protein adsorption. The kinetics of iCVD polymerization are tuned so as to achieve rapid deposition rates ( approximately 1.5 microm/min), which in turn yield ultrahigh molecular weight polymer films that are mechanically robust with good water transport and swellability. The films have an extremely high degree of physical chain entanglement giving rise to high tensile modulus and storage modulus without the need for chemical cross-linking that compromises hydrophilicity.

Ammonia vapor sensing properties of polyaniline-titanium(IV)phosphate cation exchange nanocomposite.

PubMed

Khan, Asif Ali; Baig, Umair; Khalid, Mohd

2011-02-28

In this study, the electrically conducting polyaniline-titanium(IV)phosphate (PANI-TiP) cation exchange nanocomposite was synthesized by sol-gel method. The cation exchange nanocomposite based sensor for detection of ammonia vapors was developed at room temperature. It was revealed that the sensor showed good reversible response towards ammonia vapors ranging from 3 to 6%. It was found that the sensor with p-toluene sulphonic acid (p-TSA) doped exhibited higher sensing response than hydrochloric acid doped. This sensor has detection limit ≤1% ammonia. The response of resistivity changes of the cation exchange nanocomposite on exposure to different concentrations of ammonia vapors shows its utility as a sensing material. These studies suggest that the cation exchange nanocomposite could be a good material for ammonia sensor at room temperature. Copyright © 2010 Elsevier B.V. All rights reserved.

Spacelab 3 vapor crystal growth experiment

NASA Technical Reports Server (NTRS)

Schnepple, W.; Vandenberg, L.; Skinner, N.; Ortale, C.

1987-01-01

The Space Shuttle Challenger, with Spacelab 3 as its payload, was launched into orbit April 29, 1985. The mission, number 51-B, emphasized materials processing in space, although a wide variety of experiments in other disciplines were also carried onboard. One of the materials processing experiments on this flight is described, specifically the growth of single crystals of mercuric iodide by physical vapor transport.

Chemical agent simulant release from clothing following vapor exposure.

PubMed

Feldman, Robert J

2010-02-01

Most ambulatory victims of a terrorist chemical attack will have exposure to vapor only. The study objective was to measure the duration of chemical vapor release from various types of clothing. A chemical agent was simulated using methyl salicylate (MeS), which has similar physical properties to sulfur mustard and was the agent used in the U.S. Army's Man-In-Simulant Test (MIST). Vapor concentration was measured with a Smiths Detection Advanced Portable Detector (APD)-2000 unit. The clothing items were exposed to vapor for 1 hour in a sealed cabinet; vapor concentration was measured at the start and end of each exposure. Clothing was then removed and assessed every 5 minutes with the APD-2000, using a uniform sweep pattern, until readings remained 0. Concentration and duration of vapor release from clothing varied with clothing composition and construction. Lightweight cotton shirts and jeans had the least trapped vapor; down outerwear, the most. Vapor concentration near the clothing often increased for several minutes after the clothing was removed from the contaminated environment. Compression of thick outerwear released additional vapor. Mean times to reach 0 ranged from 7 minutes for jeans to 42 minutes for down jackets. This simulation model of chemical vapor release demonstrates persistent presence of simulant vapor over time. This implies that chemical vapor may be released from the victims' clothing after they are evacuated from the site of exposure, resulting in additional exposure of victims and emergency responders. Insulated outerwear can release additional vapor when handled. If a patient has just moved to a vapor screening point, immediate assessment before additional vapor can be released from the clothing can lead to a false-negative assessment of contamination.

Contribution for Iron Vapor and Radiation Distribution Affected by Current Frequency of Pulsed Arc

NASA Astrophysics Data System (ADS)

Shimokura, Takuya; Mori, Yusuke; Iwao, Toru; Yumoto, Motoshige

Pulsed GTA welding has been used for improvement of stability, weld speed, and heat input control. However, the temperature and radiation power of the pulsed arc have not been elucidated. Furthermore, arc contamination by metal vapor changes the arc characteristics, e.g. by increasing radiation power. In this case, the metal vapor in pulsed GTA welding changes the distribution of temperature and radiation power as a function of time. This paper presents the relation between metal vapor and radiation power at different pulse frequencies. We calculate the Fe vapor distribution of the pulsed current. Results show that the Fe vapor is transported at fast arc velocity during the peak current period. During the base current period, the Fe vapor concentration is low and distribution is diffuse. The transition of Fe vapor distribution does not follow the pulsed current; the radiation power density distribution differs for high frequencies and low frequencies. In addition, the Fe vapor and radiation distribution are affected by the pulsed arc current frequency.

Differential absorption radar techniques: water vapor retrievals

NASA Astrophysics Data System (ADS)

Millán, Luis; Lebsock, Matthew; Livesey, Nathaniel; Tanelli, Simone

2016-06-01

Two radar pulses sent at different frequencies near the 183 GHz water vapor line can be used to determine total column water vapor and water vapor profiles (within clouds or precipitation) exploiting the differential absorption on and off the line. We assess these water vapor measurements by applying a radar instrument simulator to CloudSat pixels and then running end-to-end retrieval simulations. These end-to-end retrievals enable us to fully characterize not only the expected precision but also their potential biases, allowing us to select radar tones that maximize the water vapor signal minimizing potential errors due to spectral variations in the target extinction properties. A hypothetical CloudSat-like instrument with 500 m by ˜ 1 km vertical and horizontal resolution and a minimum detectable signal and radar precision of -30 and 0.16 dBZ, respectively, can estimate total column water vapor with an expected precision of around 0.03 cm, with potential biases smaller than 0.26 cm most of the time, even under rainy conditions. The expected precision for water vapor profiles was found to be around 89 % on average, with potential biases smaller than 77 % most of the time when the profile is being retrieved close to surface but smaller than 38 % above 3 km. By using either horizontal or vertical averaging, the precision will improve vastly, with the measurements still retaining a considerably high vertical and/or horizontal resolution.

Vapor Phase Deposition Using Plasma Spray-PVD™

NASA Astrophysics Data System (ADS)

von Niessen, K.; Gindrat, M.; Refke, A.

2010-01-01

Plasma spray—physical vapor deposition (PS-PVD) is a low pressure plasma spray technology to deposit coatings out of the vapor phase. PS-PVD is a part of the family of new hybrid processes recently developed by Sulzer Metco AG (Switzerland) on the basis of the well-established low pressure plasma spraying (LPPS) technology. Included in this new process family are plasma spray—chemical vapor deposition (PS-CVD) and plasma spray—thin film (PS-TF) processes. In comparison to conventional vacuum plasma spraying and LPPS, these new processes use a high energy plasma gun operated at a work pressure below 2 mbar. This leads to unconventional plasma jet characteristics which can be used to obtain specific and unique coatings. An important new feature of PS-PVD is the possibility to deposit a coating not only by melting the feed stock material which builds up a layer from liquid splats, but also by vaporizing the injected material. Therefore, the PS-PVD process fills the gap between the conventional PVD technologies and standard thermal spray processes. The possibility to vaporize feedstock material and to produce layers out of the vapor phase results in new and unique coating microstructures. The properties of such coatings are superior to those of thermal spray and EB-PVD coatings. This paper reports on the progress made at Sulzer Metco to develop functional coatings build up from vapor phase of oxide ceramics and metals.

Aerosols and water vapor dynamics over the Kingdom of Saudi Arabia

NASA Astrophysics Data System (ADS)

Farahat, Ashraf; El-Askary, Hesham; Al-Shaibani, Abdulaziz; Dogan, Umran

2014-05-01

The Kingdom of Saudi Arabia contains a vast desert area and the home of some of the largest deserts worldwide. This nature subjects the area to numerous dust storms. This is in addition to local emissions transported from industrial activities. The Arabian Peninsula dust storms have a major impact on air quality and affects dust cycle around the world. The nature of dust also affects air, ground traffics, and human health. Aerosols play a pivotal role in global climate change through their effects on the hydrological cycle and solar energy budget. Recently there have been some trials to study the nature of dust over the kingdom using satellite remote sensing and modeling to investigate the impact of aerosols of natural and anthropogenic origins from both local emissions and long-range transport on the air quality and atmospheric composition, yet a lot more needs to be done. In this study, data obtained from the Moderate Resolution Imaging Spectroradiometer (MODIS) on board of Terra and Aqua satellites are used to analyze aerosols properties over the thirteen provinces of the Kingdom of Saudi Arabia from April 2003 to January 2012. This analysis will help to characterize aerosol and cloud properties, and the seasonal hydrological factors to establish the relative contributions of aerosols derived from different regions to the different Saudi provinces and their impacts on local atmospheric composition and air quality. During this period, we have examined possible nature and anthropogenic/natural aerosols/dust sources. The analysis is based on important parameters including the aerosol optical depth (AOD), fine mode fraction (FMF), cloud properties including cloud top temperature (CTT), cloud top pressure (CTP) and the water vapor column. Correlation between water vapor and AOD was observed over three provinces which could be a result of pollution aerosols rather than dust and is, hence, acting as cloud condensation nuclei (CCN). Increasing anomalous aerosols pattern

Transport properties and Stokes-Einstein relation in Al-rich liquid alloys

NASA Astrophysics Data System (ADS)

Jakse, N.; Pasturel, A.

2016-06-01

We use ab initio molecular dynamics simulations to study the transport properties and the validity of the Stokes-Einstein relation in Al-rich liquid alloys with Ni, Cu, and Zn as alloying elements. First, we show that the composition and temperature dependence of their transport properties present different behaviors, which can be related to their local structural ordering. Then, we evidence that the competition between the local icosahedral ordering and the local chemical ordering may cause the breakdown of the Stokes-Einstein relation even in the liquid phase. We demonstrate that this breakdown can be captured by entropy-scaling relationships developed by Rosenfeld and using the two-body excess entropy. Our findings provide a unique framework to study the relation between structure, thermodynamics, and dynamics in metallic melts and pave the way towards the explanation of various complex transport properties in metallic melts.

Effect of moisture transport on microclimate under T-shirts.

PubMed

Dai, Xiao-Qun; Imamura, Ritsuko; Liu, Guo-Lian; Zhou, Fu-Ping

2008-09-01

Water transport through garments has influence on the microclimate between the garments and the body beneath; thus the thermal comfort feeling for the wearer. Soybean protein fiber (SPF), a new type environmental fiber, which has been reported to be superior in water transfer, is often blended with cotton to improve the water transport property. In this paper, T-shirts made of this SPF/cotton blended fabric were focused in comparison with T-shirts made of cotton fabric. Wicking and immersion tests were carried out on the two types of fabrics to investigate the water transport and absorption properties, respectively; wear trials of T-shirts made of the fabrics were also conducted. Comparing with the cotton fabric which had better water absorptive property, it was found that the blended fabric with superior wicking ability could not only delay the increase of the vapor pressure under the T-shirt at the beginning of the exercise, but also help to keep it lower through the exercise significantly, and also kept the skin temperature under the T-shirt lower. It was made clear that it is the water transfer property rather than the water absorption property helps to take away sweat quickly and prevents the increase of the humidity and temperature at skin surface, thus maintaining a comfort microclimate under garments.

Microspectroscopic imaging of solution plasma: How do its physical properties and chemical species evolve in atmospheric-pressure water vapor bubbles?

NASA Astrophysics Data System (ADS)

Yui, Hiroharu; Banno, Motohiro

2018-01-01

In this article, we review the development of scientific instruments for obtaining information on the evolution of physical properties and chemical species of solution plasma (SP). When a pulsed high voltage is applied between electrodes immersed in an aqueous solution, SP is formed in water vapor bubbles transiently generated in the solution under atmospheric pressure. To clarify how SP emerges in water vapor bubbles and is sustained in solutions, an instrument with micrometer spatial resolution and nanosecond temporal resolution is required. To meet these requirements, a microscopic system with a custom-made optical discharge cell was newly developed, where the working distance between the SP and the microscopic objective lens was minimized. A hollow electrode equipped in the discharge cell also enabled us to control the chemical composition in water vapor bubbles. To study the spatial and temporal evolutions of chemical species in micrometer and nano- to microsecond regions, a streak camera with a spectrometer and a CCD detector with a time-gated electronic device were combined with the microscope system. The developed instrument is expected to contribute to providing a new means of developing new schemes for chemical reactions and material syntheses.

Electronic and transport properties of Cobalt-based valence tautomeric molecules and polymers

NASA Astrophysics Data System (ADS)

Chen, Yifeng; Calzolari, Arrigo; Buongiorno Nardelli, Marco

2011-03-01

The advancement of molecular spintronics requires further understandings of the fundamental electronic structures and transport properties of prototypical spintronics molecules and polymers. Here we present a density functional based theoretical study of the electronic structures of Cobalt-based valence tautomeric molecules Co III (SQ)(Cat)L Co II (SQ)2 L and their polymers, where SQ refers to the semiquinone ligand, and Cat the catecholate ligand, while L is a redox innocent backbone ligand. The conversion from low-spin Co III ground state to high-spin Co II excited state is realized by imposing an on-site potential U on the Co atom and elongating the Co-N bond. Transport properties are subsequently calculated by extracting electronic Wannier functions from these systems and computing the charge transport in the ballistic regime using a Non-Equilibrium Green's Function (NEGF) approach. Our transport results show distinct charge transport properties between low-spin ground state and high-spin excited state, hence suggesting potential spintronics devices from these molecules and polymers such as spin valves.

Improvement of water management in a vapor feed direct methanol fuel cell

NASA Astrophysics Data System (ADS)

Masdar, M. Shahbudin; Tsujiguchi, Takuya; Nakagawa, Nobuyoshi

Water transport in a vapor feed direct methanol fuel cell was improved by fixing a hydrophobic air filter (HAF) at the cathode. Effects of the HAF properties and the fixed positions, i.e., just on the cathode surface or by providing a certain space from the surface, of the HAF on the water transport as well as the power generation performance were investigated. The water transport was evaluated by measuring the partial pressure of water, PH2O , and methanol, PCH3OH , at the anode gas layer using in situ mass spectrometry with a capillary probe and also the water and methanol fluxes across the electrode structure using a conventional method. The HAF with the highest hydrophobicity and the highest flow resistance had the strongest effect on increasing the water back diffusion from the cathode to the anode through the membrane and increasing the current density. It was noted that the HAF fixation by providing a space from the cathode surface was more effective in increasing JWCO and the current density than that of the direct placement on the cathode surface. There was an optimum distance for the HAF placement depending on the humidity of the outside air.

Six-channel multi-wavelength polarization Raman lidar for aerosol and water vapor profiling.

PubMed

Wang, Zhaofei; Mao, Jiandong; Li, Juan; Zhao, Hu; Zhou, Chunyan; Sheng, Hongjiang

2017-07-10

Aerosols and water vapor are important atmospheric components, and have significant effects on both atmospheric energy conversion and climate formation. They play the important roles in balancing the radiation budget between the atmosphere and Earth, while water vapor also directly affects rainfall and other weather processes. To further research atmospheric aerosol optical properties and water vapor content, an all-time six-channel multi-wavelength polarization Raman lidar has been developed at Beifang University of Nationalities. In addition to 1064, 532, and 355 nm Mie scattering channels, the lidar has a polarization channel for 532 nm return signals, a 660 nm water vapor channel, and a 607 nm nitrogen detection channel. Experiments verified the lidar's feasibility and return signals from six channels were detected. Using inversion algorithms, extinction coefficient profiles at 1064, 532 and 355 nm, Ångström exponent profiles, depolarization ratio profiles, and water vapor mixing ratio profiles were all obtained. The polarization characteristics and water vapor content of cirrus clouds, the polarization characteristics of dusty weather, and the water vapor profiles over different days were also analyzed. Results show that the lidar has the full-time detection capability for atmospheric aerosol optical properties and water vapor profiles, and real-time measurements of aerosols and water vapor over the Yinchuan area were realized, providing important information for studying the environmental quality and climate change in this area.

Sorption and vapor transmission properties of uncompressed and compressed microcellular starch foam.

PubMed

Glenn, Gregory M; Klamczynski, Artur P; Takeoka, Gary; Orts, William J; Wood, Delilah; Widmaier, Robert

2002-11-20

Microcellular starch foams (MCFs) are made by a solvent-exchange process and consist of a porous matrix with pores generally ranging from approximately 2 microm to submicrometer size. MCF may potentially be useful as a slow-release agent for volatile compounds because of its ability to sorb chemicals from the atmosphere and to absorb liquids into its porous structure, and because it can be compressed to form a starch plastic. MCF made of high-amylose corn and wheat starches was prepared with or without 2% (w/w) silicone oil (SO) or palmitic acid (PA). The MCF was loaded with 1% of various volatile compounds with vapor pressures ranging from 0.02 to 28 mm. The MCF depressed the vapor pressure from 0.37 to 37% compared to a control containing no MCF. Incorporating SO or PA in the matrix of the MCF had little effect on sorption of volatiles. Compressing MCF at 1.4, 6.9, and 69 MPa made a starch plastic with varying porosity. The vapor transmission rate of various volatile compounds through MCF was positively correlated to the vapor pressure of the test compound but was inversely proportional to the compression force used to form the starch plastic. The results indicate that uncompressed and compressed MCFs could be effective slow-release agents for a variety of volatile compounds, especially if used together.

EVALUATING THE SENSITIVITY OF SCREENING-LEVEL VAPOR INTRUSTION MODELS

EPA Science Inventory

Vapor intrusion is defined as the migration of volatile chemicals from the subsurface into overlying buildings. Volatile organic contaminants (VOCs) in soil or ground water can volatilize into soil gas and be transported towards the land surface where it can enter homes or busin...

Shell Properties, Water Vapor Loss, and Hatching Success of Eggs from a Rain Forest Population of the Pearly-eyed Thrasher (Margarops fuscatus)

Treesearch

WAYNE J. ARENDT

2005-01-01

I calculated various shell properties, water vapor loss, and hatching success of eggs of the Pearly-eyed Thrasher (Margarops fuscatus) using measurements obtained during a long-term study in the Luquillo Mountains, Puerto Rico. Empirical results were comparable to standard reference formulae, demonstrating that published formulae can be used with confidence by field...

Properties of transported African mineral dust aerosols in the Mediterranean region

NASA Astrophysics Data System (ADS)

Denjean, Cyrielle; Chevaillier, Servanne; Gaimoz, Cécile; Grand, Noel; Triquet, Sylvain; Zapf, Pascal; Loisil, Rodrigue; Bourrianne, Thierry; Freney, Evelyn; Dupuy, Regis; Sellegri, Karine; Schwarzenbock, Alfons; Torres, Benjamin; Mallet, Marc; Cassola, Federico; Prati, Paolo; Formenti, Paola

2015-04-01

The transport of mineral dust aerosols is a global phenomenon with strong climate implications. Depending on the travel distance over source regions, the atmospheric conditions and the residence time in the atmosphere, various transformation processes (size-selective sedimentation, mixing, condensation of gaseous species, and weathering) can modify the physical and chemical properties of mineral dust, which, in turn, can change the dust's optical properties. The model predictions of the radiative effect by mineral dust still suffer of the lack of certainty of these properties, and their temporal evolution with transport time. Within the frame of the ChArMex project (Chemistry-Aerosol Mediterranean experiment, http://charmex.lsce.ipsl.fr/), one intensive airborne campaign (ADRIMED, Aerosol Direct Radiative Impact in the regional climate in the MEDiterranean region, 06 June - 08 July 2013) has been performed over the Central and Western Mediterranean, one of the two major transport pathways of African mineral dust. In this study we have set up a systematic strategy to determine the optical, physical and optical properties of mineral dust to be compared to an equivalent dataset for dust close to source regions in Africa. This study is based on airborne observations onboard the SAFIRE ATR-42 aircraft, equipped with state of the art in situ instrumentation to measure the particle scattering and backscattering coefficients (nephelometer at 450, 550, and 700 nm), the absorption coefficient (PSAP at 467, 530, and 660 nm), the extinction coefficient (CAPS at 530 nm), the aerosol optical depth (PLASMA at 340 to 1640 nm), the size distribution in the extended range 40 nm - 30 µm by the combination of different particle counters (SMPS, USHAS, FSSP, GRIMM) and the chemical composition obtained by filter sampling. The chemistry and transport model CHIMERE-Dust have been used to classify the air masses according to the dust origin and transport. Case studies of dust transport

Chemical-Vapor Deposition Of Silicon Carbide

NASA Technical Reports Server (NTRS)

Cagliostro, D. E.; Riccitiello, S. R.; Ren, J.; Zaghi, F.

1993-01-01

Report describes experiments in chemical-vapor deposition of silicon carbide by pyrolysis of dimethyldichlorosilane in hydrogen and argon carrier gases. Directed toward understanding chemical-kinetic and mass-transport phenomena affecting infiltration of reactants into, and deposition of SiC upon, fabrics. Part of continuing effort to develop method of efficient and more nearly uniform deposition of silicon carbide matrix throughout fabric piles to make improved fabric/SiC-matrix composite materials.

APTS and rGO co-functionalized pyrenated fluorescent nanonets for representative vapor phase nitroaromatic explosive detection

NASA Astrophysics Data System (ADS)

Guo, Linjuan; Zu, Baiyi; Yang, Zheng; Cao, Hongyu; Zheng, Xuefang; Dou, Xincun

2014-01-01

For the first time, flexible PVP/pyrene/APTS/rGO fluorescent nanonets were designed and synthesized via a one-step electrospinning method to detect representative subsaturated nitroaromatic explosive vapor. The functional fluorescent nanonets, which were highly stable in air, showed an 81% quenching efficiency towards TNT vapor (~10 ppb) with an exposure time of 540 s at room temperature. The nice performance of the nanonets was ascribed to the synergistic effects induced by the specific adsorption properties of APTS, the fast charge transfer properties and the effective π-π interaction with pyrene and TNT of rGO. Compared to the analogues of TNT, the PVP/pyrene/APTS/rGO nanonets showed notable selectivity towards TNT and DNT vapors. The explored functionalization method opens up brand new insight into sensitive and selective detection of vapor phase nitroaromatic explosives.For the first time, flexible PVP/pyrene/APTS/rGO fluorescent nanonets were designed and synthesized via a one-step electrospinning method to detect representative subsaturated nitroaromatic explosive vapor. The functional fluorescent nanonets, which were highly stable in air, showed an 81% quenching efficiency towards TNT vapor (~10 ppb) with an exposure time of 540 s at room temperature. The nice performance of the nanonets was ascribed to the synergistic effects induced by the specific adsorption properties of APTS, the fast charge transfer properties and the effective π-π interaction with pyrene and TNT of rGO. Compared to the analogues of TNT, the PVP/pyrene/APTS/rGO nanonets showed notable selectivity towards TNT and DNT vapors. The explored functionalization method opens up brand new insight into sensitive and selective detection of vapor phase nitroaromatic explosives. Electronic supplementary information (ESI) available: Vapor pressure of TNT and its analogues, fluorescence quenching kinetics, fluorescence quenching efficiencies and additional SEM images. See DOI: 10.1039/c3nr04960d

Transport properties and Stokes-Einstein relation in Al-rich liquid alloys

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

Jakse, N.; Pasturel, A.

We use ab initio molecular dynamics simulations to study the transport properties and the validity of the Stokes-Einstein relation in Al-rich liquid alloys with Ni, Cu, and Zn as alloying elements. First, we show that the composition and temperature dependence of their transport properties present different behaviors, which can be related to their local structural ordering. Then, we evidence that the competition between the local icosahedral ordering and the local chemical ordering may cause the breakdown of the Stokes–Einstein relation even in the liquid phase. We demonstrate that this breakdown can be captured by entropy-scaling relationships developed by Rosenfeld andmore » using the two-body excess entropy. Our findings provide a unique framework to study the relation between structure, thermodynamics, and dynamics in metallic melts and pave the way towards the explanation of various complex transport properties in metallic melts.« less

Accurate transport properties for H–CO and H–CO{sub 2}

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

Dagdigian, Paul J., E-mail: pjdagdigian@jhu.edu

2015-08-07

Transport properties for collisions of hydrogen atoms with CO and CO{sub 2} have been computed by means of quantum scattering calculations. The carbon oxides are important species in hydrocarbon combustion. The following potential energy surfaces (PES’s) for the interaction of the molecule fixed in its equilibrium geometry were employed: for H–CO, the PES was taken from the work of Song et al. [J. Phys. Chem. A 117, 7571 (2013)], while the PES for H–CO{sub 2} was computed in this study by a restricted coupled cluster method that included single, double, and (perturbatively) triple excitations. The computed transport properties were foundmore » to be significantly different from those computed by the conventional approach that employs isotropic Lennard-Jones (12-6) potentials. The effect of using the presently computed accurate transport properties in 1-dimensional combustion simulations of methane-air flames was investigated.« less

The Annual Cycle of Water Vapor on Mars as Observed by the Thermal Emission Spectrometer

NASA Technical Reports Server (NTRS)

Smith, Michael D.; Vondrak, Richard R. (Technical Monitor)

2001-01-01

Spectra taken by the Mars Global Surveyor Thermal Emission Spectrometer (TES) have been used to monitor the latitude, longitude, and seasonal dependence of water vapor for over one full Martian year (March 1999-March 2001). A maximum in water vapor abundance is observed at high latitudes during mid-summer in both hemispheres, reaching a maximum value of approximately 100 pr-micrometer in the north and approximately 50 pr-micrometer in the south. Low water vapor abundance (<5 pr-micrometer) is observed at middle and high latitudes in the fall and winter of both hemispheres. There are large differences in the hemispheric (north versus south) and seasonal (perihelion versus aphelion) behavior of water vapor. The latitudinal and seasonal dependence of the decay of the northern summer water vapor maximum implies cross-equatorial transport of water to the southern hemisphere, while there is little or no corresponding transport during the decay of the southern hemisphere summer maximum. The latitude-longitude dependence of annually-averaged water vapor (corrected for topography) has a significant positive correlation with albedo and significant negative correlations with thermal inertia and surface pressure. Comparison of TES results with those retrieved from the Viking Orbiter Mars Atmospheric Water Detectors (MAWD) experiments shows some similar features, but also many significant differences. The southern hemisphere maximum observed by TES was not observed by MAWD and the large latitudinal gradient in annually-averaged water vapor observed by MAWD does not appear in the TES results.

RELATIONSHIP BETWEEN CELL SURFACE PROPERTIES AND TRANSPORT OF BACTERIA THROUGH SOIL

EPA Science Inventory

A study was conducted to relate the properties of Enterobacter, Pseudomonas, Bacillus, Achromobacter, Flavobacterium, and Arthrobacter strains to their transport with water moving through soil. the bacteria differed markedly in their extent of transport; their hydrophobicity, as...

Aerosol-assisted chemical vapor deposition of ultra-thin CuOx films as hole transport material for planar perovskite solar cells

NASA Astrophysics Data System (ADS)

Zhang, Zhixin; Chen, Shuqun; Li, Pingping; Li, Hongyi; Wu, Junshu; Hu, Peng; Wang, Jinshu

This paper reports on the fabrication of CuOx films to be used as hole transporting layer (HTL) in CH3NH3PbI3 perovskite solar cells (PSCs). Ultra-thin CuOx coatings were grown onto FTO substrates for the first time via aerosol-assisted chemical vapor deposition (AACVD) of copper acetylacetonate in methanol. After incorporating into the PSCs prepared at ambient air, a highest power conversion efficiency (PCE) of 8.26% with HTL and of 3.34% without HTL were achieved. Our work represents an important step in the development of low-cost CVD technique for fabricating ultra-thin metal oxide functional layers in thin film photovoltaics.

Transport properties of interacting magnetic islands in tokamak plasmas

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

Gianakon, T.A.; Callen, J.D.; Hegna, C.C.

1993-10-01

This paper explores the equilibrium and transient transport properties of a mixed magnetic topology model for tokamak equilibria. The magnetic topology is composed of a discrete set of mostly non-overlapping magnetic islands centered on the low-order rational surfaces. Transport across the island regions is fast due to parallel transport along the stochastic magnetic field lines about the separatrix of each island. Transport between island regions is assumed to be slow due to a low residual cross-field transport. In equilibrium, such a model leads to: a nonlinear dependence of the heat flux on the pressure gradient; a power balance diffusion coefficientmore » which increases from core to edge; and profile resiliency. Transiently, such a model also exhibits a heat pulse diffusion coefficient larger than the power balance diffusion coefficient.« less

The Oxidation Rate of SiC in High Pressure Water Vapor Environments

NASA Technical Reports Server (NTRS)

Opila, Elizabeth J.; Robinson, R. Craig

1999-01-01

CVD SiC and sintered alpha-SiC samples were exposed at 1316 C in a high pressure burner rig at total pressures of 5.7, 15, and 25 atm for times up to 100h. Variations in sample emittance for the first nine hours of exposure were used to determine the thickness of the silica scale as a function of time. After accounting for volatility of silica in water vapor, the parabolic rate constants for Sic in water vapor pressures of 0.7, 1.8 and 3.1 atm were determined. The dependence of the parabolic rate constant on the water vapor pressure yielded a power law exponent of one. Silica growth on Sic is therefore limited by transport of molecular water vapor through the silica scale.

Comparison of united-atom potentials for the simulation of vapor-liquid equilibria and interfacial properties of long-chain n-alkanes up to n-C100.

PubMed

Müller, Erich A; Mejía, Andrés

2011-11-10

Canonical ensemble molecular dynamics (MD) simulations are reported which compute both the vapor-liquid equilibrium properties (vapor pressure and liquid and vapor densities) and the interfacial properties (density profiles, interfacial tensions, entropy and enthalpy of surface formation) of four long-chained n-alkanes: n-decane (n-C(10)), n-eicosane (n-C(20)), n-hexacontane (n-C(60)), and n-decacontane (n-C(100)). Three of the most commonly employed united-atom (UA) force fields for alkanes (SKS: Smit, B.; Karaborni, S.; Siepmann, J. I. J. Chem. Phys. 1995,102, 2126-2140; J. Chem. Phys. 1998,109, 352; NERD: Nath, S. K.; Escobedo, F. A.; de Pablo, J. J. J. Chem. Phys. 1998, 108, 9905-9911; and TraPPE: Martin M. G.; Siepmann, J. I. J. Phys. Chem. B1998, 102, 2569-2577.) are critically appraised. The computed results have been compared to the available experimental data and those fitted using the square gradient theory (SGT). In the latter approach, the Lennard-Jones chain equation of state (EoS), appropriately parametrized for long hydrocarbons, is used to model the homogeneous bulk phase Helmholtz energy. The MD results for phase equilibria of n-decane and n-eicosane exhibit sensible agreement both to the experimental data and EoS correlation for all potentials tested, with the TraPPE potential showing the lowest deviations. However, as the molecular chain increases to n-hexacontane and n-decacontane, the reliability of the UA potentials decreases, showing notorious subpredictions of both saturated liquid density and vapor pressure. Based on the recommended data and EoS results for the heaviest hydrocarbons, it is possible to attest, that in this extreme, the TraPPE potential shows the lowest liquid density deviations. The low absolute values of the vapor pressure preclude the discrimination among the three UA potentials studied. On the other hand, interfacial properties are very sensitive to the type of UA potential thus allowing a differentiation of the

Enhanced water vapor separation by temperature-controlled aligned-multiwalled carbon nanotube membranes.

PubMed

Jeon, Wonjae; Yun, Jongju; Khan, Fakhre Alam; Baik, Seunghyun

2015-09-14

Here we present a new strategy of selectively rejecting water vapor while allowing fast transport of dry gases using temperature-controlled aligned-multiwalled carbon nanotubes (aligned-MWNTs). The mechanism is based on the water vapor condensation at the entry region of nanotubes followed by removing aggregated water droplets at the tip of the superhydrophobic aligned-MWNTs. The first condensation step could be dramatically enhanced by decreasing the nanotube temperature. The permeate-side relative humidity was as low as ∼17% and the helium-water vapor separation factor was as high as 4.62 when a helium-water vapor mixture with a relative humidity of 100% was supplied to the aligned-MWNTs. The flow through the interstitial space of the aligned-MWNTs allowed the permeability of single dry gases an order of magnitude higher than the Knudsen prediction regardless of membrane temperature. The water vapor separation performance of hydrophobic polytetrafluoroethylene membranes could also be significantly enhanced at low temperatures. This work combines the membrane-based separation technology with temperature control to enhance water vapor separation performance.

Ab Initio Calculations of Transport Properties of Vanadium Oxides

NASA Astrophysics Data System (ADS)

Lamsal, Chiranjivi; Ravindra, N. M.

2018-04-01

The temperature-dependent transport properties of vanadium oxides have been studied near the Fermi energy using the Kohn-Sham band structure approach combined with Boltzmann transport equations. V2O5 exhibits significant thermoelectric properties, which can be attributed to its layered structure and stability. Highly anisotropic electrical conduction in V2O5 is clearly manifested in the calculations. Due to specific details of the band structure and anisotropic electron-phonon interactions, maxima and crossovers are also seen in the temperature-dependent Seebeck coefficient of V2O5. During the phase transition of VO2, the Seebeck coefficient changes by 18.9 µV/K, which is close to (within 10% of) the observed discontinuity of 17.3 µV/K.

Study of thermal properties of the metastable supersaturated vapor with the integral equation method

NASA Astrophysics Data System (ADS)

Nie, Chu; Geng, Jun; Marlow, W. H.

2008-02-01

Pressure, excess chemical potential, and excess free energy data for different densities of the supersaturated argon vapor at reduced temperatures from 0.7 to 1.2 are obtained by solving the integral equation with perturbation correction to the radial distribution function [F. Lado, Phys. Rev. 135, A1013 (1964)]. For those state points where there is no solution, the integral equation is solved with the interaction between argon atoms modeled by Lennard-Jones potential plus a repulsive potential with one controlling parameter, αexp(-r /σ) and in the end, all the thermal properties are mapped back to the α =0 case. Our pressure data and the spinodal obtained from the current method are compared with a molecular dynamics simulation study [A. Linhart et al., J. Chem. Phys. 122, 144506 (2005)] of the same system.

Effect of Alignment on Transport Properties of Carbon Nanotube/Metallic Junctions

NASA Technical Reports Server (NTRS)

Wincheski, Buzz; Namkung, Min; Smits, Jan; Williams, Phillip; Harvey, Robert

2003-01-01

Ballistic and spin coherent transport in single walled carbon nanotubes (SWCNT) are predicted to enable high sensitivity single-nanotube devices for strain and magnetic field sensing. Based upon these phenomena, electron beam lithography procedures have been developed to study the transport properties of purified HiPCO single walled carbon nanotubes for development into sensory materials for nondestructive evaluation. Purified nanotubes are dispersed in solvent suspension and then deposited on the device substrate before metallic contacts are defined and deposited through electron beam lithography. This procedure produces randomly dispersed ropes, typically 2 - 20 nm in diameter, of single walled carbon nanotubes. Transport and scanning probe microscopy studies have shown a good correlation between the junction resistance and tube density, alignment, and contact quality. In order to improve transport properties of the junctions a technique has been developed to align and concentrate nanotubes at specific locations on the substrate surface. Lithographic techniques are used to define local areas where high frequency electric fields are to be concentrated. Application of the fields while the substrate is exposed to nanotube-containing solution results in nanotube arrays aligned with the electric field lines. A second electron beam lithography layer is then used to deposit metallic contacts across the aligned tubes. Experimental measurements are presented showing the increased tube alignment and improvement in the transport properties of the junctions.

Electronic structure and transport properties of quasi-one-dimensional carbon nanomaterials

NASA Astrophysics Data System (ADS)

Wu, Y. N.; Cheng, P.; Wu, M. J.; Zhu, H.; Xiang, Q.; Ni, J.

2017-09-01

Based on the density functional theory combined with the nonequilibrium Green's function, the influence of the wrinkle on the electronic structures and transport properties of quasi-one-dimensional carbon nanomaterials have been investigated, in which the wrinkled armchair graphene nanoribbons (wAGNRs) and the composite of AGNRs and single walled carbon nanotubes (SWCNTs) were considered with different connection of ripples. The wrinkle adjusts the electronic structures and transport properties of AGNRs. With the change of the strain, the wAGNRs for three width families reveal different electrical behavior. The band gap of AGNR(6) increases in the presence of the wrinkle, which is opposite to that of AGNR(5) and AGNR(7). The transport of AGNRs with the widths 6 or 7 has been modified by the wrinkle, especially by the number of isolated ripples, but it is insensitive to the strain. The nanojunctions constructed by AGNRs and SWCNTs can form the quantum wells, and some specific states are confined in wAGNRs. Although these nanojunctions exhibit the metallic, they have poor conductance due to the wrinkle. The filling of C20 into SWCNT has less influence on the electronic structure and transport of the junctions. The width and connection type of ripples have greatly influenced on the electronic structures and transport properties of quasi-one-dimensional nanomaterials.

Single-Phase Concentrated Solid-Solution Alloys: Bridging Intrinsic Transport Properties and Irradiation Resistance

DOE PAGES

Jin, Ke; Bei, Hongbin

2018-04-30

Single-phase concentrated solid-solution alloys (SP-CSAs), including high entropy alloys (HEAs), are compositionally complex but structurally simple, and provide a playground of tailoring material properties through modifying their compositional complexity. The recent progress in understanding the compositional effects on the energy and mass transport properties in a series of face-centered-cubic SP-CSAs is the focus of this review. Relatively low electrical and thermal conductivities, as well as small separations between the interstitial and vacancy migration barriers have been generally observed, but largely depend on the alloying constituents. We further discuss the impact of such intrinsic transport properties on their irradiation response; themore » linkage to the delayed damage accumulation, slow defect aggregation, and suppressed irradiation induced swelling and segregation has been presented. We emphasize that the number of alloying elements may not be a critical factor on both transport properties and the defect behaviors under ion irradiations. Furthermore, the recent findings have stimulated novel concepts in the design of new radiation-tolerant materials, but further studies are demanded to enable predictive models that can quantitatively bridge the transport properties to the radiation damage.« less

Single-Phase Concentrated Solid-Solution Alloys: Bridging Intrinsic Transport Properties and Irradiation Resistance

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

Jin, Ke; Bei, Hongbin

Single-phase concentrated solid-solution alloys (SP-CSAs), including high entropy alloys (HEAs), are compositionally complex but structurally simple, and provide a playground of tailoring material properties through modifying their compositional complexity. The recent progress in understanding the compositional effects on the energy and mass transport properties in a series of face-centered-cubic SP-CSAs is the focus of this review. Relatively low electrical and thermal conductivities, as well as small separations between the interstitial and vacancy migration barriers have been generally observed, but largely depend on the alloying constituents. We further discuss the impact of such intrinsic transport properties on their irradiation response; themore » linkage to the delayed damage accumulation, slow defect aggregation, and suppressed irradiation induced swelling and segregation has been presented. We emphasize that the number of alloying elements may not be a critical factor on both transport properties and the defect behaviors under ion irradiations. Furthermore, the recent findings have stimulated novel concepts in the design of new radiation-tolerant materials, but further studies are demanded to enable predictive models that can quantitatively bridge the transport properties to the radiation damage.« less

Water vapor increase in the northern hemispheric lower stratosphere by the Asian monsoon anticyclone observed during TACTS campaign in 2012

NASA Astrophysics Data System (ADS)

Rolf, Christian; Vogel, Bärbel; Hoor, Peter; Günther, Gebhard; Krämer, Martina; Müller, Rolf; Müller, Stephan; Riese, Martin

2017-04-01

Water vapor plays a key role in determining the radiative balance in the upper troposphere and lower stratosphere (UTLS) and thus the climate of the Earth (Forster and Shine, 2002; Riese et al., 2012). Therefore a detailed knowledge about transport pathways and exchange processes between troposphere and stratosphere is required to understand the variability of water vapor in this region. The Asian monsoon anticyclone caused by deep convection over and India and east Asia is able to transport air masses from the troposphere into the nothern extra-tropical stratosphere (Müller et al. 2016, Vogel et al. 2016). These air masses contain pollution but also higher amounts of water vapor. An increase in water vapor of about 0.5 ppmv in the extra-tropical stratosphere above a potential temperature of 380 K was detected between August and September 2012 by in-situ instrumentation above the European northern hemisphere during the HALO aircraft mission TACTS. Here, we investigated the origin of this water vapor increase with the help of the 3D Lagrangian chemistry transport model CLaMS (McKenna et al., 2002). We can assign an origin of the moist air masses in the Asian region (North and South India and East China) with the help of model origin tracers. Additionally, back trajectories of these air masses with enriched water vapor are used to differentiate between transport from the Asia monsoon anticyclone and the upwelling of moister air in the tropics particularly from the Pacific and Southeast Asia.

Effect of protein and glycerol concentration on the mechanical, optical, and water vapor barrier properties of canola protein isolate-based edible films.

PubMed

Chang, Chang; Nickerson, Michael T

2015-01-01

Biodegradable edible films prepared using proteins are both economically and environmentally important to the food packaging industry relative to traditional petroleum-derived synthetic materials. In the present study, the mechanical and water vapor barrier properties of casted canola protein isolate edible films were investigated as a function of protein (5.0% and 7.5%) and glycerol (30%, 35%, 40%, 45%, and 50%) content. Specifically, tensile strength and elongation, elastic modulus, puncture strength and deformation, opacity, and water vapor permeability were measured. Results indicated that tensile strength, puncture strength, and elastic modulus decreased, while tensile elongation and puncture deformation values increased as glycerol concentration increased for both 5.0% and 7.5% canola protein isolate films. Furthermore, tensile strength, puncture strength, and elastic modulus values were found to increase at higher protein concentrations within the canola protein isolate films, whereas puncture deformation values decreased. Tensile elongation was found to be similar for both canola protein isolate protein levels. Canola protein isolate films became more transparent with increasing of glycerol concentration and decreasing of canola protein isolate concentration. Water vapor permeability value was also found to increase with increasing glycerol and protein contents. Overall, results indicated that canola protein isolate films were less brittle, more malleable and transparent, and had greater water vapor permeability at higher glycerol levels. However, as protein level increased, canola protein isolate films were more brittle, less malleable and more opaque, and also had increased water vapor permeability. © The Author(s) 2013 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

Stress hysteresis and mechanical properties of plasma-enhanced chemical vapor deposited dielectric films

NASA Astrophysics Data System (ADS)

Thurn, Jeremy; Cook, Robert F.; Kamarajugadda, Mallika; Bozeman, Steven P.; Stearns, Laura C.

2004-02-01

A comprehensive survey is described of the responses of three plasma-enhanced chemical vapor deposited dielectric film systems to thermal cycling and indentation contact. All three films—silicon oxide, silicon nitride, and silicon oxy-nitride—exhibited significant nonequilibrium permanent changes in film stress on thermal cycling or annealing. The linear relationship between stress and temperature changed after the films were annealed at 300 °C, representing a structural alteration in the film reflecting a change in coefficient of thermal expansion or biaxial modulus. A double-substrate method was used to deduce both thermoelastic properties before and after the anneal of selected films and the results were compared with the modulus deconvoluted from small-scale depth-sensing indentation experiments (nanoindentation). Rutherford backscattering spectrometry and hydrogen forward scattering were used to deduce the composition of the films and it was found that all the films contained significant amounts of hydrogen.

Growth of thin films of dicyanovinylanisole on quartz and teflon-coated quartz by physical vapor transport

NASA Technical Reports Server (NTRS)

Pearson, Earl F.

1994-01-01

Organic compounds offer the possibility of molecular engineering in order to optimize the nonlinearity and minimize damage due to the high-power lasers used in nonlinear optical devices. Recently dicyanovinylanisole (DIVA), ((2-methoxyphenyl) methylenepropanedinitrile) has been shown to have a second order nonlinearity 40 times that of alpha-quartz. Debe et. al. have shown that a high degree of orientational order exists for thin films of phthalocyanine grown by physical vapor transport in microgravity. The microgravity environment eliminates convective flow and was critical to the formation of highly ordered dense continuous films in these samples. This work seeks to discover the parameters necessary for the production of thin continuous films of high optical quality in Earth gravity. These parameters must be known before the experiment can be planned for growing DIVA in a microgravity environment. The microgravity grown films are expected to be denser and of better optical quality than the unit gravity films as was observed in the phthalocyanine films.

Frequency response of a vaporization process to distorted acoustic disturbances

NASA Technical Reports Server (NTRS)

Heidmann, M. F.

1972-01-01

The open-loop response properties expressed as the mass vaporized in phase and out of phase with the pressure oscillations were numerically evaluated for a vaporizing n-heptane droplet. The evaluation includes the frequency dependence introduced by periodic oscillation in droplet mass and temperature. A given response was achieved over a much broader range of frequency with harmonically distorted disturbances than with sinusoidal disturbances. The results infer that distortion increases the probability of incurring spontaneous and triggered instability in any rocket engine combustor by broadening the frequency range over which the vaporization process can support an instability.

In situ water vapor and ozone measurements in Lhasa and Kunming during the Asian summer monsoon

NASA Astrophysics Data System (ADS)

Bian, Jianchun; Pan, Laura L.; Paulik, Laura; Vömel, Holger; Chen, Hongbin; Lu, Daren

2012-10-01

The Asian summer monsoon (ASM) anticyclone circulation system is recognized to be a significant transport pathway for water vapor and pollutants to enter the stratosphere. The observational evidence, however, is largely based on satellite retrievals. We report the first coincident in situ measurements of water vapor and ozone within the ASM anticyclone. The combined water vapor and ozonesondes were launched from Kunming, China in August 2009 and Lhasa, China in August 2010. In total, 11 and 12 sondes were launched in Kunming and Lhasa, respectively. We present the key characteristics of these measurements, and provide a comparison to similar measurements from an equatorial tropical location, during the Tropical Composition, Cloud and Climate Coupling (TC4) campaign in July and August of 2007. Results show that the ASM anticyclone region has higher water vapor and lower ozone concentrations in the upper troposphere and lower stratosphere than the TC4 observations. The results also show that the cold point tropopause in the ASM region has a higher average height and potential temperature. The in situ observations therefore support the satellite-based conclusion that the ASM is an effective transport pathway for water vapor to enter stratosphere.

Synthesis, pharmacology, crystal properties, and quantitative solvation studies from a drug transport perspective for three new 1,2,4-thiadiazoles.

PubMed

Perlovich, German L; Volkova, Tatyana V; Proshin, Alexey N; Sergeev, Dmitriy Yu; Bui, Cong Trinh; Petrova, Ludmila N; Bachurin, Sergey O

2010-09-01

A novel 1,2,4-thiadiazoles were synthesized. Crystal structures of these compounds were solved by X-ray diffraction experiments and comparative analysis of molecular conformational states, packing architecture, and hydrogen bonds networks were carried out. Thermodynamic aspects of sublimation processes of studied compounds were determined using temperature dependencies of vapor pressure. Thermophysical characteristics of the molecular crystals were obtained and compared with the sublimation and structural parameters. Solubility and solvation processes of 1,2,4-thiadiazoles in buffer, n-hexane and n-octanol were studied within the wide range of temperature intervals and thermodynamic functions were calculated. Specific and nonspecific interactions of molecules resolved in crystals and solvents were estimated and compared. Distribution processes of compounds in buffer/n-octanol and buffer/n-hexane systems (describing different types of membranes) were investigated. Analysis of transfer processes of studied molecules from the buffer to n-octanol/n-hexane phases was carried out by the diagram method with evaluation of the enthalpic and entropic terms. This approach allows us to design drug molecules with optimal passive transport properties. Calcium-blocking properties of the substances were evaluated.

Radiation Transport Properties of Polyethylene-Fiber Composites

NASA Technical Reports Server (NTRS)

Kaul, Raj K.; Barghouty, A. F.; Dahche, H. M.

2003-01-01

Composite materials that can both serve as effective shielding materials against cosmic-ray and energetic solar particles in deep space as well as structural materials for habitat and spacecraft remain a critical and mission enabling piece in mission planning and exploration. Polyethylene is known to have excellent shielding properties due to its low density coupled with high hydrogen content. Polyethylene fiber reinforced composites promise to combine this shielding effectiveness with the required mechanical properties of structural materials. Samples of Polyethylene-fiber reinforced epoxy matrix composite 1-5 cm thick were prepared at NASA's Marshall Space Flight Center and tested against 500 MeV/nucleon Fe beam at the HIMAC facility of NIRS in Chiba, Japan. This paper presents measured and calculated results for the radiation transport properties of these samples.

Electronic transport properties of single-crystal bismuth nanowire arrays

NASA Astrophysics Data System (ADS)

Zhang, Zhibo; Sun, Xiangzhong; Dresselhaus, M. S.; Ying, Jackie Y.; Heremans, J.

2000-02-01

We present here a detailed study of the electrical transport properties of single-crystal bismuth nanowire arrays embedded in a dielectric matrix. Measurements of the resistance of Bi nanowire arrays with different wire diameters (60-110 nm) have been carried out over a wide range of temperatures (2.0-300 K) and magnetic fields (0-5.4 T). The transport properties of a heavily Te-doped Bi nanowire array have also been studied. At low temperatures, we show that the wire boundary scattering is the dominant scattering process for carriers in the undoped single-crystal Bi nanowires, while boundary scattering is less important for a heavily Te-doped sample, consistent with general theoretical considerations. The temperature dependences of the zero-field resistivity and of the longitudinal magneto-coefficient of the Bi nanowires were also studied and were found to be sensitive to the wire diameter. The quantum confinement of carriers is believed to play an important role in determining the overall temperature dependence of the zero-field resistivity. Theoretical considerations of the quantum confinement effects on the electronic band structure and on the transport properties of Bi nanowires are discussed. Despite the evidence for localization effects and diffusive electron interactions at low temperatures (T<=4.0 K), localization effects are not the dominant mechanisms affecting the resistivity or the magnetoresistance in the temperature range of this study.

Applications of asymmetric nanotextured parylene surface using its wetting and transport properties

NASA Astrophysics Data System (ADS)

Sekeroglu, Koray

In this thesis, basic digital fluidics devices were introduced using polymeric nanorods (nano-PPX) inspired from nature. Natural inspiration ignited this research by observing butterfly wings, water strider legs, rye grass leaves, and their asymmetric functions. Nano-PPX rods, manufactured by an oblique angle polymerization (OAP) method, are asymmetrically aligned structures that have unidirectional wetting properties. Nano-PPX demonstrates similar functions to the directional textured surfaces of animals and plants in terms of wetting, adhesion, and transport. The water pin-release mechanism on the asymmetric nano-PPX surface with adhesion function provides a great transport property. How the asymmetry causes transport is discussed in terms of hysteresis and interface contact of water droplets. In this study, the transport property of nano-PPX rods is used to guide droplets as well as transporting cargo such as microgels. With the addition of tracks on the nano-PPX rods, the surfaces were transformed into basic digital fluidics devices. The track-assisted nano-PPX has been employed to applications (i.e. sorting, mixing, and carrying cargo particles). Thus, digital fluidics devices fabricated on nano-PPX surface is a promising pathway to assemble microgels in the field of bioengineering. The characterization of the nano textured surface was completed using methods such as Scanning Electron Microscopy, Atomic Force Microscopy, Contact Angle Goniometry, and Fourier Transform Infra-Red Spectroscopy. These methods helped to understand the physical and chemical properties of nano-PPX. Parameters such as advancing and receding contact angles, nanorod tilt angle, and critical drop volumes were utilized to investigate the anisotropic wetting properties of nano-PPX surface. This investigation explained the directional wetting behavior of the surface as well as approaching new design parameters for adjusting surface properties. The nanorod tilt angle was a key parameter

Surface free energy and some other properties of a crystal-vapor interface: Molecular dynamics simulation of a Lennard-Jones system

NASA Astrophysics Data System (ADS)

Baidakov, V. G.; Tipeev, A. O.; Protsenko, K. R.

2017-07-01

The surface tension γ and surface energy u bar have been calculated in molecular dynamics simulation of an FCC crystal-vapor equilibrium in systems containing from 54000 to 108000 Lennard-Jones (LJ) particles with a cutoff radius of the potential rc = 6.78 d . The surface entropy s bar and the surface free energy σ along the sublimation line have been determined by the method of thermodynamic integration from the zero of temperature, where the classical entropy has been obtained from the dynamical theory of crystal lattice by data on γ (T) and u bar (T) . Calculations were made on the planes (1 0 0), (1 1 0) and (1 1 1) of an LJ crystal. The anisotropy of surface properties is considerable at low temperatures and smooths over at the approach of the triple point. At a temperature 1/3 lower than the melting temperature of the bulk phase changes are observed in the character of temperature dependences of the properties of a crystal-vapor interface, which are connected with surface premelting. The temperature of the beginning of surface premelting correlates with that at which the metastable extension of the melting line meets the spinodal of a stretched liquid.

Transport properties of mixtures by the soft-SAFT + free-volume theory: application to mixtures of n-alkanes and hydrofluorocarbons.

PubMed

Llovell, F; Marcos, R M; Vega, L F

2013-05-02

In a previous paper (Llovell et al. J. Phys. Chem. B, submitted for publication), the free-volume theory (FVT) was coupled with the soft-SAFT equation of state for the first time to extend the capabilities of the equation to the calculation of transport properties. The equation was tested with molecular simulations and applied to the family of n-alkanes. The capability of the soft-SAFT + FVT treatment is extended here to other chemical families and mixtures. The compositional rules of Wilke (Wilke, C. R. J. Chem. Phys. 1950, 18, 517-519) are used for the diluted term of the viscosity, while the dense term is evaluated using very simple mixing rules to calculate the viscosity parameters. The theory is then used to predict the vapor-liquid equilibrium and the viscosity of mixtures of nonassociating and associating compounds. The approach is applied to determine the viscosity of a selected group of hydrofluorocarbons, in a similar manner as previously done for n-alkanes. The soft-SAFT molecular parameters are taken from a previous work, fitted to vapor-liquid equilibria experimental data. The application of FVT requires three additional parameters related to the viscosity of the pure fluid. Using a transferable approach, the α parameter is taken from the equivalent n-alkane, while the remaining two parameters B and Lv are fitted to viscosity data of the pure fluid at several isobars. The effect of these parameters is then investigated and compared to those obtained for n-alkanes, in order to better understand their effect on the calculations. Once the pure fluids are well characterized, the vapor-liquid equilibrium and the viscosity of nonassociating and associating mixtures, including n-alkane + n-alkane, hydrofluorocarbon + hydrofluorocarbon, and n-alkane + hydrofluorocarbon mixtures, are calculated. One or two binary parameters are used to account for deviations in the vapor-liquid equilibrium diagram for nonideal mixtures; these parameters are used in a

Vapor-fed bio-hybrid fuel cell.

PubMed

Benyamin, Marcus S; Jahnke, Justin P; Mackie, David M

2017-01-01

Concentration and purification of ethanol and other biofuels from fermentations are energy-intensive processes, with amplified costs at smaller scales. To circumvent the need for these processes, and to potentially reduce transportation costs as well, we have previously investigated bio-hybrid fuel cells (FCs), in which a fermentation and FC are closely coupled. However, long-term operation requires strictly preventing the fermentation and FC from harming each other. We introduce here the concept of the vapor-fed bio-hybrid FC as a means of continuously extracting power from ongoing fermentations at ambient conditions. By bubbling a carrier gas (N 2 ) through a yeast fermentation and then through a direct ethanol FC, we protect the FC anode from the catalyst poisons in the fermentation (which are non-volatile), and also protect the yeast from harmful FC products (notably acetic acid) and from build-up of ethanol. Since vapor-fed direct ethanol FCs at ambient conditions have never been systematically characterized (in contrast to vapor-fed direct methanol FCs), we first assess the effects on output power and conversion efficiency of ethanol concentration, vapor flow rate, and FC voltage. The results fit a continuous stirred-tank reactor model. Over a wide range of ethanol partial pressures (2-8 mmHg), power densities are comparable to those for liquid-fed direct ethanol FCs at the same temperature, with power densities >2 mW/cm 2 obtained. We then demonstrate the continuous operation of a vapor-fed bio-hybrid FC with fermentation for 5 months, with no indication of performance degradation due to poisoning (of either the FC or the fermentation). It is further shown that the system is stable, recovering quickly from disturbances or from interruptions in maintenance. The vapor-fed bio-hybrid FC enables extraction of power from dilute bio-ethanol streams without costly concentration and purification steps. The concept should be scalable to both large and small

Nonlinear absorption properties of AlGaAs/GaAs multiple quantum wells grown by metalorganic chemical vapor deposition

NASA Technical Reports Server (NTRS)

Lee, Hsing-Chung; Kost, A.; Kawase, M.; Hariz, A.; Dapkus, P. Daniel

1988-01-01

The nonlinear absorption properties of the excitonic resonances associated with multiple quantum wells (MQWs) in AlGaAs/GaAs grown by metalorganic chemical vapor deposition are reported. The dependence of the saturation properties on growth parameters, especially growth temperature, and the well width are described. The minimum measured saturation intensity for these materials is 250 W/sq cm, the lowest reported value to date. The low saturation intensities are the result of excellent minority carrier properties. A systematic study of minority carrier lifetimes in quantum wells are reported. Lifetimes range from 50-350 ns depending on growth temperature and well width. When corrected for lateral diffusion effects and the measured minority carrier lifetime, the saturation data suggest that saturation intensities as low as 2.3 W/sq cm can be achieved in this system. The first measurements of the dependence of the exciton area and the magnitude of the excitonic absorption on well width are prsented. The growth of MQW structures on transparent GaP substrates is demonstrated and the electroabsorption properties of these structures are reviewed.

Electronic and transport properties of BCN alloy nanoribbons

NASA Astrophysics Data System (ADS)

Darvishi Gilan, Mahdi; Chegel, Raad

2018-03-01

The dependence of the carbon (C) concentration on the electronic and transport properties of boron carbonitride (BCN) alloy nanoribbons have been investigated using surface Green's functions technique and random Hamiltonian model by considering random hopping parameters including first and second nearest neighbors. Our calculations indicate that substituting boron (nitrogen) sites with carbon atoms induces a new band close to conduction (valence) band and carbon atoms behave like a donor (acceptor) dopants. Also, while both nitrogen and boron sites are substituted randomly by carbon atoms, new bands are induced close to both valence and conduction bands. The band gap decreases with C substituting and the number of charge carriers increases in low bias voltage. Far from Fermi level in the higher range of energy, transmission coefficient and current of the system are reduced by increasing the C concentration. Based on our results, tuning the electronic and transport properties of BCN alloy nanoribbons by random carbon dopants could be applicable to design nanoelectronics devices.

Aerosol-Assisted Chemical Vapor Deposited Thin Films for Space Photovoltaics

NASA Technical Reports Server (NTRS)

Hepp, Aloysius F.; McNatt, Jeremiah; Dickman, John E.; Jin, Michael H.-C.; Banger, Kulbinder K.; Kelly, Christopher V.; AquinoGonzalez, Angel R.; Rockett, Angus A.

2006-01-01

Copper indium disulfide thin films were deposited via aerosol-assisted chemical vapor deposition using single source precursors. Processing and post-processing parameters were varied in order to modify morphology, stoichiometry, crystallography, electrical properties, and optical properties in order to optimize device-quality material. Growth at atmospheric pressure in a horizontal hot-wall reactor at 395 C yielded best device films. Placing the susceptor closer to the evaporation zone and flowing a more precursor-rich carrier gas through the reactor yielded shinier, smoother, denser-looking films. Growth of (112)-oriented films yielded more Cu-rich films with fewer secondary phases than growth of (204)/(220)-oriented films. Post-deposition sulfur-vapor annealing enhanced stoichiometry and crystallinity of the films. Photoluminescence studies revealed four major emission bands (1.45, 1.43, 1.37, and 1.32 eV) and a broad band associated with deep defects. The highest device efficiency for an aerosol-assisted chemical vapor deposited cell was 1.03 percent.

Semiconducting Properties of Nanostructured Amorphous Carbon Thin Films Incorporated with Iodine by Thermal Chemical Vapor Deposition

NASA Astrophysics Data System (ADS)

Kamaruzaman, Dayana; Ahmad, Nurfadzilah; Annuar, Ishak; Rusop, Mohamad

2013-11-01

Nanostructured iodine-post doped amorphous carbon (a-C:I) thin films were prepared from camphor oil using a thermal chemical vapor deposition (TCVD) technique at different doping temperatures. The structural properties of the films were studied by field-emission scanning electron microscopy (FESEM), energy-dispersive spectroscopy (EDS), Raman, and Fourier transform infrared (FTIR) studies. FESEM and EDS studies showed successful iodine doping. FTIR and Raman studies showed that the a-C:I thin films consisted of a mixture of sp2- and sp3-bonded carbon atoms. The optical and electrical properties of a-C:I thin films were determined by UV-vis-NIR spectroscopy and current-voltage (I-V) measurement respectively. The optical band gap of a-C thin films decreased upon iodine doping. The highest electrical conductivity was found at 400 °C doping. Heterojunctions are confirmed by rectifying the I-V characteristics of an a-C:I/n-Si junction.

High-temperature mass spectrometric study of the vaporization processes and thermodynamic properties of melts in the PbO-B2O3-SiO2 system.

PubMed

Stolyarova, V L; Lopatin, S I; Shilov, A L; Shugurov, S M

2013-07-15

The unique properties of the PbO-B2O3-SiO2 system, especially its extensive range of glass-forming compositions, make it valuable for various practical applications. The thermodynamic properties and vaporization of PbO-B2O3-SiO2 melts are not well established so far and the data obtained on these will be useful for optimization of technology and thermodynamic modeling of glasses. High-temperature Knudsen effusion mass spectrometry was used to study vaporization processes and to determine the partial pressures of components of the PbO-B2O3-SiO2 melts. Measurements were performed with a MS-1301 mass spectrometer. Vaporization was carried out using two quartz effusion cells containing the sample under study and pure PbO (reference substance). Ions were produced by electron ionization at an energy of 25 eV. To facilitate interpretation of the mass spectra, the appearance energies of ions were also measured. Pb, PbO and O2 were found to be the main vapor species over the samples studied at 1100 K. The PbO activities as a function of the composition of the system were derived from the measured PbO partial pressures. The B2O3 and SiO2 activities, the Gibbs energy of formation, the excess Gibbs energy of formation and mass losses in the samples studied were calculated. Partial pressures of the vapor species over PbO-B2O3-SiO2 melts were measured at 1100 K in the wide range of compositions using the Knudsen mass spectrometric method. The data enabled the PbO, B2O3, and SiO2 activities in these melts to be derived and provided evidence of their negative deviations from ideal behavior. Copyright © 2013 John Wiley & Sons, Ltd.

Role of oxygen vacancies in visible emission and transport properties of indium oxide nanowires

NASA Astrophysics Data System (ADS)

Gali, Pradeep; Kuo, Fang-Ling; Shepherd, Nigel; Philipose, U.

2012-01-01

We report on the effect of oxygen vacancies on the defect-related emission and the electronic properties of In2O3 nanowires. The nanowires were synthesized by vapor phase transport and had diameters ranging from 80-100 nm and lengths over 10-20 μm, with a growth direction of [0 0 1]. The as-grown nanowires connected in an FET type of configuration show n-type conductivity, which is ascribed to the presence of intrinsic defects like oxygen vacancies in the nanowire. The resistivity, transconductance, field effect mobility and carrier concentration of the In2O3 nanowires were determined to be 1.82 × 10-2 Ω cm, 11.2 nS, 119 cm2 V-1 s-1 and 4.89 × 1017 cm-3, respectively. The presence of oxygen vacancies was also confirmed by photoluminescence measurements, which show a strong UV emission peak at 3.18 eV and defect peaks in the visible region at 2.85 eV, 2.66 eV and 2.5 eV. We present a technique of post-growth annealing in O2 environment and passivation with (NH4)2S to reduce the defect-induced emission.

Spin-polarized transport properties of a pyridinium-based molecular spintronics device

NASA Astrophysics Data System (ADS)

Zhang, J.; Xu, B.; Qin, Z.

2018-05-01

By applying a first-principles approach based on non-equilibrium Green's functions combined with density functional theory, the transport properties of a pyridinium-based "radical-π-radical" molecular spintronics device are investigated. The obvious negative differential resistance (NDR) and spin current polarization (SCP) effect, and abnormal magnetoresistance (MR) are obtained. Orbital reconstruction is responsible for novel transport properties such as that the MR increases with bias and then decreases and that the NDR being present for both parallel and antiparallel magnetization configurations, which may have future applications in the field of molecular spintronics.

An interim reference model for the variability of the middle atmosphere H2O vapor distribution

NASA Technical Reports Server (NTRS)

Remsberg, E. E.; Russell, J. M., III; Wu, C. Y.

1989-01-01

Water vapor is an important minor constituent in the studies of the middle atmosphere for a variety of reasons, including its role as a source for active HO(y) chemicals and its use in analysis of transport processes. A number of in situ and remote techniques were employed in the determination of water vapor distributions. Two of the more complete data sets were used to develop an interim reference profile. First, there are the seven months of Nimbus 7 limb infrared monitor of the stratosphere (LIMS) data obtained during Nov. 1978 to May 1979 over the range 64S to 84N latitude and from about 100 to 1 mb in the mid-mesosphere at several fixed Northern Hemisphere mid-latitude sites. These two data sets were combined to give a mid-lattitude, interim reference water vapor profile for the entire vertical range of the middle atmosphere and with accuracies of better than 25 percent. The daily variability of stratospheric water vapor profiles about the monthly mean was also established from these data sets for selected months. Information is also provided on the longitudinal variability of LIMS water vapor profiles about the daily, weekly, and monthly zonal means. Generally, the interim reference water vapor profile and its variability are consistent with prevailing ideas about chemistry and transport.

Effects of thermal vapor diffusion on seasonal dynamics of water in the unsaturated zone

USGS Publications Warehouse

Milly, Paul C.D.

1996-01-01

The response of water in the unsaturated zone to seasonal changes of temperature (T) is determined analytically using the theory of nonisothermal water transport in porous media, and the solutions are tested against field observations of moisture potential and bomb fallout isotopic (36Cl and 3H) concentrations. Seasonally varying land surface temperatures and the resulting subsurface temperature gradients induce thermal vapor diffusion. The annual mean vertical temperature gradient is close to zero; however, the annual mean thermal vapor flux is downward, because the temperature‐dependent vapor diffusion coefficient is larger, on average, during downward diffusion (occurring at high T) than during upward diffusion (low T). The annual mean thermal vapor flux is shown to decay exponentially with depth; the depth (about 1 m) at which it decays to e−1of its surface value is one half of the corresponding decay depth for the amplitude of seasonal temperature changes. This depth‐dependent annual mean flux is effectively a source of water, which must be balanced by a flux divergence associated with other transport processes. In a relatively humid environment the liquid fluxes greatly exceed the thermal vapor fluxes, so such a balance is readily achieved without measurable effect on the dynamics of water in the unsaturated zone. However, if the mean vertical water flux through the unsaturated zone is very small (<1 mm y−1), as it may be at many locations in a desert landscape, the thermal vapor flux must be balanced mostly by a matric‐potential‐induced upward flux of water. This return flux may include both vapor and liquid components. Below any near‐surface zone of weather‐related fluctuations of matric potential, maintenance of this upward flux requires an increase with depth in the annual mean matric potential; this theoretical prediction is supported by long‐term field measurements in the Chihuahuan Desert. The analysis also makes predictions

Acoustic Droplet Vaporization, Cavitation, and Therapeutic Properties of Copolymer-Stabilized Perfluorocarbon Nanoemulsions

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

Nam, Kweon-Ho; Christensen, Douglas A.; Rapoport, Natalya

2009-04-14

Acoustic and therapeutic properties of Doxorubicin (DOX) and paclitaxel (PTX)-loaded perfluorocarbon nanoemulsions have been investigated in a mouse model of ovarian cancer. The nanoemulsions were stabilized by two biodegradable amphiphilic block copolymers that differed in the structure of the hydrophobic block. Acoustic droplet vaporization (ADV) and cavitation parameters were measured as a function of ultrasound frequency, pressure, duty cycles, and temperature. The optimal parameters that induced ADV and inertial cavitation of the formed microbubbles were used in vivo in the experiments on the ultrasound-mediated chemotherapy of ovarian cancer. A combination tumor treatment by intravenous injections of drug-loaded perfluoropentane nanoemulsions andmore » tumor-directed 1-MHz ultrasound resulted in a dramatic decrease of ovarian or breast carcinoma tumor volume and sometimes complete tumor resolution. However, tumors often recurred three to six weeks after the treatment indicating that some cancer cells survived the treatment. The recurrent tumors proved more aggressive and resistant to the repeated therapy than initial tumors suggesting selection for the resistant cells during the first treatment.« less

Calibrated vapor generator source

DOEpatents

Davies, John P.; Larson, Ronald A.; Goodrich, Lorenzo D.; Hall, Harold J.; Stoddard, Billy D.; Davis, Sean G.; Kaser, Timothy G.; Conrad, Frank J.

1995-01-01

A portable vapor generator is disclosed that can provide a controlled source of chemical vapors, such as, narcotic or explosive vapors. This source can be used to test and calibrate various types of vapor detection systems by providing a known amount of vapors to the system. The vapor generator is calibrated using a reference ion mobility spectrometer. A method of providing this vapor is described, as follows: explosive or narcotic is deposited on quartz wool, placed in a chamber that can be heated or cooled (depending on the vapor pressure of the material) to control the concentration of vapors in the reservoir. A controlled flow of air is pulsed over the quartz wool releasing a preset quantity of vapors at the outlet.

Calibrated vapor generator source

DOEpatents

Davies, J.P.; Larson, R.A.; Goodrich, L.D.; Hall, H.J.; Stoddard, B.D.; Davis, S.G.; Kaser, T.G.; Conrad, F.J.

1995-09-26

A portable vapor generator is disclosed that can provide a controlled source of chemical vapors, such as, narcotic or explosive vapors. This source can be used to test and calibrate various types of vapor detection systems by providing a known amount of vapors to the system. The vapor generator is calibrated using a reference ion mobility spectrometer. A method of providing this vapor is described, as follows: explosive or narcotic is deposited on quartz wool, placed in a chamber that can be heated or cooled (depending on the vapor pressure of the material) to control the concentration of vapors in the reservoir. A controlled flow of air is pulsed over the quartz wool releasing a preset quantity of vapors at the outlet. 10 figs.

Low-Cost III-V Photovoltaic Materials by Chloride Vapor Transport Deposition Using Safe Solid Precursors

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

Boettcher, Shannon; Aloni, Shaul; Weiss, Robert

Si-based photovoltaic devices dominate the market. As photovoltaic (PV) manufacturing costs have plummeted, technologies which increase efficiency have become critical. Si cell efficiencies are nearing theoretical limits and Si-based PV modules are unlikely to reach the 25-30% efficiency range. The use of III-V semiconductors is an obvious technical solution to improve efficiency, especially if they can be integrated directly with existing Si technology as tandems. High coefficients of light absorption along with tunable bandgaps and lattice constants have resulted in record conversion efficiencies for both one-sun and concentrator PV applications. GaAs, for example, has been used to manufacture single-junction photovoltaicsmore » with world-record efficiencies of 28.8% at one sun.2 However, costs for III-Vs must be dramatically reduced to produce cost-effective, high-efficiency PV solutions. III-V costs are controlled by two factors: semiconductor growth and the substrate. III-V growth is dominated today by metal-organic vapor phase epitaxy (MOVPE) with a lesser role played by molecular beam epitaxy (MBE). MOVPE costs are high due to the expense and low utilization (~30%) of precursors, modest growth rates (~100 nm min-1), equipment complexity, and safety infrastructure needed to handle toxic, pyrophoric gases.3 MBE costs are high due to slow growth rates and limitations of scalability. Details comparing plausible low-cost III-V growth methods are available in a review article published as a result of this project. The primary goal of this project was to demonstrate that close-spaced vapor transport (CSVT) using chloride (from HCl) as a transport agent can be used for the rapid growth of device-ready III-V layers from safe, solid-source precursors. In pursuit of this goal, we designed, built, and installed a new Cl-CSVT reactor based on insights from our previous H2O-CSVT growth system and in collaboration with equipment professionals at Malachite Technologies

Sensitive coating for water vapors detection based on thermally sputtered calcein thin films.

PubMed

Kruglenko, I; Shirshov, Yu; Burlachenko, J; Savchenko, A; Kravchenko, S; Manera, M G; Rella, R

2010-09-15

In this paper the adsorption properties of thermally sputtered calcein thin films towards water and other polar molecules vapors are studied by different characterization techniques: quartz crystal microbalance, surface plasmon resonance and visible spectroscopy. Sensitivity of calcein thin films to water vapors resulted much higher as compared with those of a number of dyes whose structure was close to that of calcein. All types of sensors with calcein coatings have demonstrated linear concentration dependences in the wide range of water vapor pressure from low concentrations up to 27,000 ppm (close to saturation). At higher concentrations of water vapor all sensors demonstrate the abrupt increase of the response (up to two orders). A theoretical model is advanced explaining the adsorption properties of calcein thin films taking into account their chemical structure and peculiarities of molecular packing. The possibility of application of thermally sputtered calcein films in sensing technique is discussed. Copyright (c) 2010 Elsevier B.V. All rights reserved.

Spin-Polarized Tunneling through Chemical Vapor Deposited Multilayer Molybdenum Disulfide.

PubMed

Dankert, André; Pashaei, Parham; Kamalakar, M Venkata; Gaur, Anand P S; Sahoo, Satyaprakash; Rungger, Ivan; Narayan, Awadhesh; Dolui, Kapildeb; Hoque, Md Anamul; Patel, Ram Shanker; de Jong, Michel P; Katiyar, Ram S; Sanvito, Stefano; Dash, Saroj P

2017-06-27

The two-dimensional (2D) semiconductor molybdenum disulfide (MoS 2 ) has attracted widespread attention for its extraordinary electrical-, optical-, spin-, and valley-related properties. Here, we report on spin-polarized tunneling through chemical vapor deposited multilayer MoS 2 (∼7 nm) at room temperature in a vertically fabricated spin-valve device. A tunnel magnetoresistance (TMR) of 0.5-2% has been observed, corresponding to spin polarization of 5-10% in the measured temperature range of 300-75 K. First-principles calculations for ideal junctions result in a TMR up to 8% and a spin polarization of 26%. The detailed measurements at different temperature, bias voltages, and density functional theory calculations provide information about spin transport mechanisms in vertical multilayer MoS 2 spin-valve devices. These findings form a platform for exploring spin functionalities in 2D semiconductors and understanding the basic phenomena that control their performance.

Effects of nanosized constriction on thermal transport properties of graphene

PubMed Central

2014-01-01

Thermal transport properties of graphene with nanosized constrictions are investigated using nonequilibrium molecular dynamics simulations. The results show that the nanosized constrictions have a significant influence on the thermal transport properties of graphene. The thermal resistance of the nanosized constrictions is on the order of 107 to 109 K/W at 150 K, which reduces the thermal conductivity by 7.7% to 90.4%. It is also found that the constriction resistance is inversely proportional to the width of the constriction and independent of the heat current. Moreover, we developed an analytical model for the ballistic thermal resistance of the nanosized constrictions in two-dimensional nanosystems. The theoretical prediction agrees well with the simulation results in this paper, which suggests that the thermal transport across the nanosized constrictions in two-dimensional nanosystems is ballistic in nature. PACS 65.80.CK; 61.48.Gh; 63.20.kp; 31.15.xv PMID:25232292

Submicron Dropwise Condensation under Superheated and Rarefied Vapor Condition

PubMed Central

Anand, Sushant; Son, Sang Young

2010-01-01

Phase change accompanying conversion of a saturated or superheated vapor in presence of subcooled surfaces is one of the most common occurring phenomena in nature. The mode of phase change which follows such a transformation is dependent upon surface properties like as of contact angle and thermodynamic conditions of the system. In present studies, an experimental approach is used to study the physics behind droplet growth on a partially wetting surface. Superheated vapor at low pressures of 4–5 torr was condensed on subcooled silicon surface with static contact angle as of 60° in absence of non-condensable gases, and the condensation process monitored using Environmental Scanning Electron Microscope (ESEM) with submicroscopic spatial resolution. The condensation process was analyzed in the form of size growth of isolated droplets for before a coalescence event ended the regime of single droplet growth. Droplet growth obtained as a function of time reveals that the rate of growth decreases as the droplet increases in size. This behavior is indicative of an overall droplet growth law existing over larger time scales of which the current observations in their brief time intervals could be fitted in. A theoretical model based on kinetic theory further support the experimental observations indicating a mechanism where growth occurs by interfacial mass transport directly on condensing droplet surface. Evidence was also found which establishes the presence of submicroscopic droplets nucleating and growing in between microscopic droplets for partially wetting case. PMID:20942412

Water vapor, water-ice clouds, and dust in the North Polar Region

NASA Technical Reports Server (NTRS)

Tamppari, Leslie K.; Smith, Michael D.; Bass, Deborah S.; Hale, Amy S.

2006-01-01

The behavior of water vapor, water-ice and dust in the Martian atmosphere is important for understanding the overall Martian climate system, which is characterized by three main cycles: water, including water-ice, dust, and CO2. Understanding these cycles will lend insight into the behavior of the atmospheric dynamics, the atmosphere's ability to transport dust, water-ice, and vapor to different parts of the planet, and how that ability changes as a function of dust and water-ice loading.

Transport properties of initially neutral gas disturbed by intense electron beam

NASA Astrophysics Data System (ADS)

Angus, Justin; Swanekamp, Steve; Schumer, Joseph; Mosher, Dave; Ottinger, Paul

2013-10-01

The behavior of intense electron beams (those with current densities on the order of hundreds of kA/cm2 and beam rise times on the order of 100 ns) traveling through gaseous mediums depends strongly on the transport properties of the medium. For example, the conductivity of the medium, which is very sensitive to the ionization state and temperature of the gas, has a strong influence on the beam behavior through the plasma return current. Since the beam is responsible for ionizing and heating the gas, self-consistently solving for the gas transport properties and the beam propagation is essential for an accurate description of the system. An advanced gas chemistry model to describe the transport properties of a strongly disturbed gaseous system is presented in this work. A focal point of this work is an accurate description of the medium's conductivity as the gas progresses from its weakly ionized state, where swarm models are valid, to a strongly ionized state where the Spitzer-Harm model applies. NRL Karle Fellowship

High-Throughput Characterization of Vapor-Deposited Organic Glasses

NASA Astrophysics Data System (ADS)

Dalal, Shakeel S.

Glasses are non-equilibrium materials which on short timescales behave like solids, and on long timescales betray their liquid-like structure. The most common way of preparing a glass is to cool the liquid faster than it can structurally rearrange. Until recently, most preparation schemes for a glass were considered to result in materials with undifferentiable structure and properties. This thesis utilizes a particular preparation method, physical vapor deposition, in order to prepare glasses of organic molecules with properties otherwise considered to be unobtainable. The glasses are characterized using spectroscopic ellipsometry, both as a dilatometric technique and as a reporter of molecular packing. The results reported here develop ellipsometry as a dilatometric technique on a pair of model glass formers, alpha,alpha,beta-trisnaphthylbenzene and indomethacin. It is found that the molecular orientation, as measured by birefringence, can be tuned by changing the substrate temperature during the deposition. In order to efficiently characterize the properties of vapor-deposited indomethacin as a function of substrate temperature, a high-throughput method is developed to capture the entire interesting range of substrate temperatures in just a few experiments. This high-throughput method is then leveraged to describe molecular mobility in vapor-deposited indomethacin. It is also used to demonstrate that the behavior of organic semiconducting molecules agrees with indomethacin quantitatively, and this agreement has implications for emerging technologies such as light-emitting diodes, photovoltaics and thin-film transistors made from organic molecules.

Assessing Electrolyte Transport Properties with Molecular Dynamics

DOE PAGES

Jones, R. E.; Ward, D. K.; Gittleson, F. S.; ...

2017-04-15

Here in this work we use estimates of ionic transport properties obtained from molecular dynamics to rank lithium electrolytes of different compositions. We develop linear response methods to obtain the Onsager diffusivity matrix for all chemical species, its Fickian counterpart, and the mobilities of the ionic species. We apply these methods to the well-studied propylene carbonate/ethylene carbonate solvent with dissolved LiBF 4 and O 2. The results show that, over a range of lithium concentrations and carbonate mixtures, trends in the transport coefficients can be identified and optimal electrolytes can be selected for experimental focus; however, refinement of these estimationmore » techniques is necessary for a reliable ranking of a large set of electrolytes.« less

Vapor-Driven Propulsion of Catalytic Micromotors

NASA Astrophysics Data System (ADS)

Dong, Renfeng; Li, Jinxing; Rozen, Isaac; Ezhilan, Barath; Xu, Tailin; Christianson, Caleb; Gao, Wei; Saintillan, David; Ren, Biye; Wang, Joseph

2015-08-01

Chemically-powered micromotors offer exciting opportunities in diverse fields, including therapeutic delivery, environmental remediation, and nanoscale manufacturing. However, these nanovehicles require direct addition of high concentration of chemical fuel to the motor solution for their propulsion. We report the efficient vapor-powered propulsion of catalytic micromotors without direct addition of fuel to the micromotor solution. Diffusion of hydrazine vapor from the surrounding atmosphere into the sample solution is instead used to trigger rapid movement of iridium-gold Janus microsphere motors. Such operation creates a new type of remotely-triggered and powered catalytic micro/nanomotors that are responsive to their surrounding environment. This new propulsion mechanism is accompanied by unique phenomena, such as the distinct off-on response to the presence of fuel in the surrounding atmosphere, and spatio-temporal dependence of the motor speed borne out of the concentration gradient evolution within the motor solution. The relationship between the motor speed and the variables affecting the fuel concentration distribution is examined using a theoretical model for hydrazine transport, which is in turn used to explain the observed phenomena. The vapor-powered catalytic micro/nanomotors offer new opportunities in gas sensing, threat detection, and environmental monitoring, and open the door for a new class of environmentally-triggered micromotors.

Vapor-Driven Propulsion of Catalytic Micromotors

PubMed Central

Dong, Renfeng; Li, Jinxing; Rozen, Isaac; Ezhilan, Barath; Xu, Tailin; Christianson, Caleb; Gao, Wei; Saintillan, David; Ren, Biye; Wang, Joseph

2015-01-01

Chemically-powered micromotors offer exciting opportunities in diverse fields, including therapeutic delivery, environmental remediation, and nanoscale manufacturing. However, these nanovehicles require direct addition of high concentration of chemical fuel to the motor solution for their propulsion. We report the efficient vapor-powered propulsion of catalytic micromotors without direct addition of fuel to the micromotor solution. Diffusion of hydrazine vapor from the surrounding atmosphere into the sample solution is instead used to trigger rapid movement of iridium-gold Janus microsphere motors. Such operation creates a new type of remotely-triggered and powered catalytic micro/nanomotors that are responsive to their surrounding environment. This new propulsion mechanism is accompanied by unique phenomena, such as the distinct off-on response to the presence of fuel in the surrounding atmosphere, and spatio-temporal dependence of the motor speed borne out of the concentration gradient evolution within the motor solution. The relationship between the motor speed and the variables affecting the fuel concentration distribution is examined using a theoretical model for hydrazine transport, which is in turn used to explain the observed phenomena. The vapor-powered catalytic micro/nanomotors offer new opportunities in gas sensing, threat detection, and environmental monitoring, and open the door for a new class of environmentally-triggered micromotors. PMID:26285032

Numerical simulation of supersonic water vapor jet impinging on a flat plate

NASA Astrophysics Data System (ADS)

Kuzuu, Kazuto; Aono, Junya; Shima, Eiji

2012-11-01

We investigated supersonic water vapor jet impinging on a flat plate through numerical simulation. This simulation is for estimating heating effect of a reusable sounding rocket during vertical landing. The jet from the rocket bottom is supersonic, M=2 to 3, high temperature, T=2000K, and over-expanded. Atmospheric condition is a stationary standard air. The simulation is base on the full Navier-Stokes equations, and the flow is numerically solved by an unstructured compressible flow solver, in-house code LS-FLOW-RG. In this solver, the transport properties of muti-species gas and mass conservation equations of those species are considered. We employed DDES method as a turbulence model. For verification and validation, we also carried out a simulation under the condition of air, and compared with the experimental data. Agreement between our results and the experimental data are satisfactory. Through this simulation, we calculated the flow under some exit pressure conditions, and discuss the effects of pressure ratio on flow structures, heat transfer and so on. Furthermore, we also investigated diffusion effects of water vapor, and we confirmed that these phenomena are generated by the interaction of atmospheric air and affects the heat transfer to the surrounding environment.

SPECIES - EVALUATING THERMODYNAMIC PROPERTIES, TRANSPORT PROPERTIES & EQUILIBRIUM CONSTANTS OF AN 11-SPECIES AIR MODEL

NASA Technical Reports Server (NTRS)

Thompson, R. A.

1994-01-01

Accurate numerical prediction of high-temperature, chemically reacting flowfields requires a knowledge of the physical properties and reaction kinetics for the species involved in the reacting gas mixture. Assuming an 11-species air model at temperatures below 30,000 degrees Kelvin, SPECIES (Computer Codes for the Evaluation of Thermodynamic Properties, Transport Properties, and Equilibrium Constants of an 11-Species Air Model) computes values for the species thermodynamic and transport properties, diffusion coefficients and collision cross sections for any combination of the eleven species, and reaction rates for the twenty reactions normally occurring. The species represented in the model are diatomic nitrogen, diatomic oxygen, atomic nitrogen, atomic oxygen, nitric oxide, ionized nitric oxide, the free electron, ionized atomic nitrogen, ionized atomic oxygen, ionized diatomic nitrogen, and ionized diatomic oxygen. Sixteen subroutines compute the following properties for both a single species, interaction pair, or reaction, and an array of all species, pairs, or reactions: species specific heat and static enthalpy, species viscosity, species frozen thermal conductivity, diffusion coefficient, collision cross section (OMEGA 1,1), collision cross section (OMEGA 2,2), collision cross section ratio, and equilibrium constant. The program uses least squares polynomial curve-fits of the most accurate data believed available to provide the requested values more quickly than is possible with table look-up methods. The subroutines for computing transport coefficients and collision cross sections use additional code to correct for any electron pressure when working with ionic species. SPECIES was developed on a SUN 3/280 computer running the SunOS 3.5 operating system. It is written in standard FORTRAN 77 for use on any machine, and requires roughly 92K memory. The standard distribution medium for SPECIES is a 5.25 inch 360K MS-DOS format diskette. The contents of the

Modifying the Interface Edge to Control the Electrical Transport Properties of Nanocontacts to Nanowires.

PubMed

Lord, Alex M; Ramasse, Quentin M; Kepaptsoglou, Despoina M; Evans, Jonathan E; Davies, Philip R; Ward, Michael B; Wilks, Steve P

2017-02-08

Selecting the electrical properties of nanomaterials is essential if their potential as manufacturable devices is to be reached. Here, we show that the addition or removal of native semiconductor material at the edge of a nanocontact can be used to determine the electrical transport properties of metal-nanowire interfaces. While the transport properties of as-grown Au nanocatalyst contacts to semiconductor nanowires are well-studied, there are few techniques that have been explored to modify the electrical behavior. In this work, we use an iterative analytical process that directly correlates multiprobe transport measurements with subsequent aberration-corrected scanning transmission electron microscopy to study the effects of chemical processes that create structural changes at the contact interface edge. A strong metal-support interaction that encapsulates the Au nanocontacts over time, adding ZnO material to the edge region, gives rise to ohmic transport behavior due to the enhanced quantum-mechanical tunneling path. Removal of the extraneous material at the Au-nanowire interface eliminates the edge-tunneling path, producing a range of transport behavior that is dependent on the final interface quality. These results demonstrate chemically driven processes that can be factored into nanowire-device design to select the final properties.

Electrical Transport Properties of Polycrystalline Monolayer Molybdenum Disulfide

DTIC Science & Technology

2014-07-14

Lou, Sina Najmaei, Matin Amani, Matthew L. Chin, Zheng Se. TASK NUMBER Liu Sf. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAMES AND ADDRESSES 8...Transport Properties of Polycrystalline Monolayer Molybdenum Disulfide Sina Najmaei,t.§ Matin Ama ni,M Matthew L. Chin,* Zhe ng liu/ ·"·v: A. Gle n

Enthalpy of Vaporization and Vapor Pressures: An Inexpensive Apparatus

ERIC Educational Resources Information Center

Battino, Rubin; Dolson, David A.; Hall, Michael A.; Letcher, Trevor M.

2007-01-01

A simple and inexpensive method to determine the enthalpy of vaporization of liquids by measuring vapor pressure as a function of temperature is described. The vapor pressures measured with the stopcock cell were higher than the literature values and those measured with the sidearm rubber septum cell were both higher and lower than literature…

Bioinspired ion-transport properties of solid-state single nanochannels and their applications in sensing.

PubMed

Tian, Ye; Wen, Liping; Hou, Xu; Hou, Guanglei; Jiang, Lei

2012-07-16

Biological ion channels are able to control ion-transport processes precisely because of their intriguing properties, such as selectivity, rectification, and gating. Learning from nature, scientists have developed a promising system--solid-state single nanochannels--to mimic biological ion-transport properties. These nanochannels have many impressive properties, such as excess surface charge, making them selective; the ability to be produced or modified asymmetrically, endowing them with rectification; and chemical reactivity of the inner surface, imparting them with desired gating properties. Based on these unique characteristics, solid-state single nanochannels have been explored in various applications, such as sensing. In this context, we summarize recent developments of bioinspired solid-state single nanochannels with ion-transport properties that resemble their biological counterparts, including selectivity, rectification, and gating; their applications in sensing are also introduced briefly. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Vapor Annealing Controlled Crystal Growth and Photovoltaic Performance of Bismuth Triiodide Embedded in Mesostructured Configurations.

PubMed

Kulkarni, Ashish; Singh, Trilok; Jena, Ajay K; Pinpithak, Peerathat; Ikegami, Masashi; Miyasaka, Tsutomu

2018-03-21

Low stability of organic-inorganic lead halide perovskite and toxicity of lead (Pb) still remain a concern. Therefore, there is a constant quest for alternative nontoxic and stable light-absorbing materials with promising optoelectronic properties. Herein, we report about nontoxic bismuth triiodide (BiI 3 ) photovoltaic device prepared using TiO 2 mesoporous film and spiro-OMeTAD as electron- and hole-transporting materials, respectively. Effect of annealing methods (e.g., thermal annealing (TA), solvent vapor annealing (SVA), and Petri dish covered recycled vapor annealing (PR-VA)) and different annealing temperatures (90, 120, 150, and 180 °C for PR-VA) on BiI 3 film morphology have been investigated. As found in the study, grain size increased and film uniformity improved as temperature was raised from 90 to 150 °C. The photovoltaic devices based on BiI 3 films processed at 150 °C with PR-VA treatment showed power conversion efficiency (PCE) of 0.5% with high reproducibility, which is, so far, the best PCE reported for BiI 3 photovoltaic device employing organic hole-transporting material (HTM), owing to the increase in grain size and uniform morphology of BiI 3 film. These devices showed stable performance even after 30 days of exposure to 50% relative humidity, and after 100 °C heat stress and 20 min light soaking test. More importantly, the study reveals many challenges and room (discussed in the details) for further development of the BiI 3 photovoltaic devices.

Effect of deposition pressure on the morphology and structural properties of carbon nanotubes synthesized by hot-filament chemical vapor deposition.

PubMed

Arendse, C J; Malgas, G F; Scriba, M R; Cummings, F R; Knoesen, D

2007-10-01

Hot-filament chemical vapor deposition has developed into an attractive method for the synthesis of various carbon nanostructures, including carbon nanotubes. This is primarily due to its versatility, low cost, repeatability, up-scalability, and ease of production. The resulting nano-material synthesized by this technique is dependent on the deposition conditions which can be easily controlled. In this paper we report on the effect of the deposition pressure on the structural properties and morphology of carbon nanotubes synthesized by hot-filament chemical vapor deposition, using Raman spectroscopy and high-resolution scanning electron microscopy, respectively. A 10 nm-thick Ni layer, deposited on a SiO2/Si substrate, was used as catalyst for carbon nanotube growth. Multi-walled carbon nanotubes with diameters ranging from 20-100 nm were synthesized at 500 degrees C with high structural perfection at deposition pressures between 150 and 200 Torr. Raman spectroscopy measurements confirm that the carbon nanotube deposit is homogeneous across the entire substrate area.

Electronic transport properties of nano-scale Si films: an ab initio study

NASA Astrophysics Data System (ADS)

Maassen, Jesse; Ke, Youqi; Zahid, Ferdows; Guo, Hong

2010-03-01

Using a recently developed first principles transport package, we study the electronic transport properties of Si films contacted to heavily doped n-type Si leads. The quantum transport analysis is carried out using density functional theory (DFT) combined with nonequilibrium Green's functions (NEGF). This particular combination of NEGF-DFT allows the investigation of Si films with thicknesses in the range of a few nanometers and lengths up to tens of nanometers. We calculate the conductance, the momentum resolved transmission, the potential profile and the screening length as a function of length, thickness, orientation and surface structure. Moreover, we compare the properties of Si films with and without a top surface passivation by hydrogen.

Computer programs for thermodynamic and transport properties of hydrogen

NASA Technical Reports Server (NTRS)

Hall, W. J.; Mc Carty, R. D.; Roder, H. M.

1968-01-01

Computer program subroutines provide the thermodynamic and transport properties of hydrogen in tabular form. The programs provide 18 combinations of input and output variables. This program is written in FORTRAN 4 for use on the IBM 7044 or CDC 3600 computers.

Semiclassical transport properties of IrGa₃: a promising thermoelectric material.

PubMed

Alvarez Quiceno, Juan Camilo; Dalpian, Gustavo; Fazzio, Adalberto; Osorio-Guillén, Jorge M

2018-01-09

IrGa3 is an intermetallic compound which is expected to be a metal, but a study on the electronic properties of this material to confirm its metallic character is not available in the literature. In this work, we report for the first time a first-principles Density Functional Theory and semiclassical Boltzmann theory study of the structural, electronic and transport properties of this material. The inclusion of the spin-orbit coupling term is crucial to calculate accurately the electronic properties of this compound. We have established that IrGa3 is an indirect semiconductor with a narrow gap of 0.07 eV. From semiclassical Boltzmann transport theory, it is inferred that this material, with the appropriate hole concentration, could have a thermoelectric figure of merit at room temperature comparable to other intermetallic compounds such as FeGa3, though the transport properties of IrGa3 are highly anisotropic. . © 2018 IOP Publishing Ltd.

Laboratory comparison of several tests for evaluating the transport properties of concrete.

DOT National Transportation Integrated Search

2006-01-01

The transport properties of concrete are a primary element in determining the durability of concrete. In this study, several new test methods that directly measure aspects of fluid and ionic transport in concrete were examined. ASTM C 1543 and ASTM C...

Transport Properties of Complex Oxides: New Ideas and Insights from Theory and Simulation

NASA Astrophysics Data System (ADS)

Benedek, Nicole

Complex oxides are one of the largest and most technologically important materials families. The ABO3 perovskite oxides in particular display an unparalleled variety of physical properties. The microscopic origin of these properties (how they arise from the structure of the material) is often complicated, but in many systems previous research has identified simple guidelines or `rules of thumb' that link structure and chemistry to the physics of interest. For example, the tolerance factor is a simple empirical measure that relates the composition of a perovskite to its tendency to adopt a distorted structure. First-principles calculations have shown that the tendency towards ferroelectricity increases systematically as the tolerance factor of the perovskite decreases. Can we uncover a similar set of simple guidelines to yield new insights into the ionic and thermal transport properties of perovskites? I will discuss recent research from my group on the link between crystal structure and chemistry, soft phonons and ionic transport in a family of layered perovskite oxides, the Ln2NiO4+δ Ruddlesden-Popper phases. In particular, we show how the lattice dynamical properties of these materials (their tendency to undergo certain structural distortions) can be correlated with oxide ion transport properties. Ultimately, we seek new ways to understand the microscopic origins of complex transport processes and to develop first-principles-based design rules for new materials based on our understanding.

Experimental study of the spill and vaporization of a volatile liquid.

PubMed

Bohl, Douglas; Jackson, Gregory

2007-02-09

Pool and vapor cloud characteristics of an acetone spill issuing from the downstream wall of a flow obstruction oriented perpendicular to a uniform flow were investigated experimentally. Data indicate that the spill event was largely governed by the temperature of the surface in relation to the boiling point of the spilled liquid. The free stream velocity (ranging from 0.75 to 3.0m/s) also impacted the spreading of the spill. Planar laser-induced fluorescence (PLIF) was used to measure acetone vapor concentrations during the transient pool spreading and vaporization in a window 60cm long by 50cm high and located downstream of the 16cm high obstruction. The recirculation region induced by the flow obstruction caused upstream transport of the acetone vapor along the spill surface, after which it was convected vertically along the obstruction wall before being entrained into the flow and convected downstream. The recirculating flow caused regions of vapor within the flammability limits to be localized near the flow obstruction. These regions moved into and out of the measurement plane by large three-dimensional flow structures. The flammable region of the evolved vapor cloud was observed to grow well past the downstream edge of the measurement domain. With decreasing wind speeds, both the mass of acetone vapor within the flammability limits and the total spill event time increased significantly. The data presented herein provides a basis for validating future spill models of hazardous chemical releases, where complex turbulent flow modeling must be coupled with spill spreading and vaporization dynamics.

A systematic approach for the accurate and rapid measurement of water vapor transmission through ultra-high barrier films

NASA Astrophysics Data System (ADS)

Kiese, Sandra; Kücükpinar, Esra; Reinelt, Matthias; Miesbauer, Oliver; Ewender, Johann; Langowski, Horst-Christian

2017-02-01

Flexible organic electronic devices are often protected from degradation by encapsulation in multilayered films with very high barrier properties against moisture and oxygen. However, metrology must be improved to detect such low quantities of permeants. We therefore developed a modified ultra-low permeation measurement device based on a constant-flow carrier-gas system to measure both the transient and stationary water vapor permeation through high-performance barrier films. The accumulation of permeated water vapor before its transport to the detector allows the measurement of very low water vapor transmission rates (WVTRs) down to 2 × 10-5 g m-2 d-1. The measurement cells are stored in a temperature-controlled chamber, allowing WVTR measurements within the temperature range 23-80 °C. Differences in relative humidity can be controlled within the range 15%-90%. The WVTR values determined using the novel measurement device agree with those measured using a commercially available carrier-gas device from MOCON®. Depending on the structure and quality of the barrier film, it may take a long time for the WVTR to reach a steady-state value. However, by using a combination of the time-dependent measurement and the finite element method, we were able to estimate the steady-state WVTR accurately with significantly shorter measurement times.

Transport properties of an asymmetric mixture in the dense plasma regime

DOE PAGES

Ticknor, Christopher; Kress, Joel David; Collins, Lee A.; ...

2016-06-23

Here, we study how concentration changes ionic transport properties along isobars-isotherms for a mixture of hydrogen and silver, representative of turbulent layers relevant to inertial confinement fusion and astrophysics. Hydrogen will typically be fully ionized while silver will be only partially ionized but can have a large effective charge. This will lead to very different physical conditions for the H and Ag. Large first principles orbital free molecular dynamics simulations are performed and the resulting transport properties are analyzed. Comparisons are made with transport theory in the kinetic regime and in the coupled regime. The addition of a small amountmore » of heavy element in a light material has a dramatic effect on viscosity and diffusion of the mixture. This effect is explained through kinetic theory as a manifestation of a crossover between classical diffusion and Lorentz diffusion.« less

Heat flow in vapor dominated areas of the Yellowstone Plateau volcanic field: implications for the thermal budget of the Yellowstone Caldera

USGS Publications Warehouse

Hurwitz, Shaul; Harris, Robert; Werner, Cynthia Anne; Murphy, Fred

2012-01-01

Characterizing the vigor of magmatic activity in Yellowstone requires knowledge of the mechanisms and rates of heat transport between magma and the ground surface. We present results from a heat flow study in two vapor dominated, acid-sulfate thermal areas in the Yellowstone Caldera, the 0.11 km2 Obsidian Pool Thermal Area (OPTA) and the 0.25 km2 Solfatara Plateau Thermal Area (SPTA). Conductive heat flux through a low permeability layer capping large vapor reservoirs is calculated from soil temperature measurements at >600 locations and from laboratory measurements of soil properties. The conductive heat output is 3.6 ± 0.4 MW and 7.5 ± 0.4 MW from the OPTA and the SPTA, respectively. The advective heat output from soils is 1.3 ± 0.3 MW and 1.2 ± 0.3 MW from the OPTA and the SPTA, respectively and the heat output from thermal pools in the OPTA is 6.8 ± 1.4 MW. These estimates result in a total heat output of 11.8 ± 1.4 MW and 8.8 ± 0.4 MW from OPTA and SPTA, respectively. Focused zones of high heat flux in both thermal areas are roughly aligned with regional faults suggesting that faults in both areas serve as conduits for the rising acid vapor. Extrapolation of the average heat flux from the OPTA (103 ± 2 W·m−2) and SPTA (35 ± 3 W·m−2) to the ~35 km2 of vapor dominated areas in Yellowstone yields 3.6 and 1.2 GW, respectively, which is less than the total heat output transported by steam from the Yellowstone Caldera as estimated by the chloride inventory method (4.0 to 8.0 GW).

Properties of vapor detector arrays formed through plasticization of carbon black-organic polymer composites.

PubMed

Koscho, Michael E; Grubbs, Robert H; Lewis, Nathan S

2002-03-15

Arrays of vapor detectors have been formed through addition of varying mass fractions of the plasticizer diethylene glycol dibenzoate to carbon black-polymer composites of poly(vinyl acetate) (PVAc) or of poly(N-vinylpyrrolidone). Addition of plasticizer in 5% mass fraction increments produced 20 compositionally different detectors from each polymer composite. Differences in vapor sorption and permeability that effected changes in the dc electrical resistance response of these compositionally different detectors allowed identification and classification of various test analytes using standard chemometric methods. Glass transition temperatures, Tg, were measured using differential scanning calorimetry for plasticized polymers having a mass fraction of 0, 0.10, 0.20, 0.30, 0.40, or 0.50 of plasticizer in the composite. The plasticized PVAc composites with Tg < 25 degrees C showed rapid responses at room temperature to all of the test analyte vapors studied in this work, whereas composites with Tg > 25 degrees C showed response times that were highly dependent on the polymer/analyte combination. These composites showed a discontinuity in the temperature dependence of their resistance, and this discontinuity provided a simple method for determining the Tg of the composite and for determining the temperature or plasticizer mass fraction above which rapid resistance responses could be obtained for all members of the test set of analyte vapors. The plasticization approach provides a method for achieving rapid detector response times as well as for producing a large number of chemically different vapor detectors from a limited number of initial chemical feedstocks.

A decadal time series of water vapor and D / H isotope ratios above Zugspitze: transport patterns to central Europe

NASA Astrophysics Data System (ADS)

Hausmann, Petra; Sussmann, Ralf; Trickl, Thomas; Schneider, Matthias

2017-06-01

We present vertical soundings (2005-2015) of tropospheric water vapor (H2O) and its D / H isotope ratio (δD) derived from ground-based solar Fourier transform infrared (FTIR) measurements at Zugspitze (47° N, 11° E, 2964 m a.s.l.). Beside water vapor profiles with optimized vertical resolution (degrees of freedom for signal, DOFS, = 2.8), {H2O, δD} pairs with consistent vertical resolution (DOFS = 1.6 for H2O and δD) applied in this study. The integrated water vapor (IWV) trend of 2.4 [-5.8, 10.6] % decade-1 is statistically insignificant (95 % confidence interval). Under this caveat, the IWV trend estimate is conditionally consistent with the 2005-2015 temperature increase at Zugspitze (1.3 [0.5, 2.1] K decade-1), assuming constant relative humidity. Seasonal variations in free-tropospheric H2O and δD exhibit amplitudes of 140 and 50 % of the respective overall means. The minima (maxima) in January (July) are in agreement with changing sea surface temperature of the Atlantic Ocean. Using extensive backward-trajectory analysis, distinct moisture pathways are identified depending on observed δD levels: low column-based δD values (δDcol < 5th percentile) are associated with air masses originating at higher latitudes (62° N on average) and altitudes (6.5 km)than high δD values (δDcol > 95th percentile: 46° N, 4.6 km). Backward-trajectory classification indicates that {H2O, δD} observations are influenced by three long-range-transport patterns towards Zugspitze assessed in previous studies: (i) intercontinental transport from North America (TUS; source region: 25-45° N, 70-110° W, 0-2 km altitude), (ii) intercontinental transport from northern Africa (TNA; source region: 15-30° N, 15° W-35° E, 0-2 km altitude), and (iii) stratospheric air intrusions (STIs; source region: > 20° N, above zonal mean tropopause). The FTIR data exhibit significantly differing signatures in free-tropospheric {H2O, δD} pairs (5 km a.s.l.) - given as the mean with

Initial Stage of Aerosol Formation from Oversaturated Vapors

NASA Astrophysics Data System (ADS)

Lushnikov, A. A.; Zagainov, V. A.; Lyubovtseva, Yu. S.

2018-03-01

The formation of aerosol particles from oversaturated vapor was considered assuming that the stable nuclei of the new phase contain two (dimers) or three (trimers) condensing vapor molecules. Exact expressions were derived and analyzed for the partition functions of the dimer and trimer suspended in a carrier gas for the rectangular well and repulsive core intermolecular potentials. The equilibrium properties of these clusters and the nucleation rate of aerosol particles were discussed. The bound states of clusters were introduced using a limitation on their total energy: molecular clusters with a negative total energy were considered to exclude configurations with noninteracting fragments.