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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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62 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Modeling Studies of PVT Growth of ZnSe: Current Status and Future Course

Bulk growth of wide band gap II-VI semiconductors by physical vapor transport (PVT) has been developed and refined over the past several years at NASA Marshall Space Flight Center. Results from a modeling study of PVT crystal growth of ZnSe are reported in this paper. The PVT process is numerically investigated using a two-dimensional formulation of the governing equations and associated boundary conditions. Both the incompressible Boussinesq approximation and a 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 are provided. The simulations show that the Stefan flux dominates the system flow field and the subtle gravitational effects can be gauged by subtracting this flux from the calculated profiles. Shear flows, due to solutal buoyancy, of the order of 50 microns/s for the liorizont,-d growth orientation and 10 microns/s for the vertical orientation are predicted. Whether these flows can fully account for the observed gravity related growth morphological effects and inhomogeneous solute and dopant distributions is a matter of conjecture. A template for future modeling efforts in this area is suggested which incorporates a mathematical approach to the tracking of the growth front based on energy of formation concepts.

Ramachandran, N.↗
NASA NTRS1997

Growth, Spectroscopy and Photorefractive Investigation of Vanadium Doped CdSSe

We present two-wave mixing results obtained with a CdS(0.8)Se(0.2):V crystal. The CdS(0.8)Se(0.2):V crystal was grown by physical vapor transport (PVT) along with a concentration of 150 ppm (nominal) vanadium for creating trap centers. The as-grown crystal has a large crystal size, good optical quality, and a medium resistivity of 10(exp 6) - 108 ohms-cm. A large photorefractive gain coefficient of ().24 cm-' was observed at 633 nm with an optical intensity of 60 mW/cm(exp 2) and a grating period of 1.6 microns. To our knowledge, this is the first observation of the photorefractive effect in a vanadium doped CdSSe crystal. Room temperature absorption and low temperature photoluminescence spectroscopy measurements are also discussed. With a significant photorefractive effect, the CdSSe:V crystals are promising for device applications based on photorefractive effect, in the wavelength range of 600-700 nm.

Davis, Michelle↗
NASA NTRS1998

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

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.

Ramachandran, Narayanan↗
NASA NTRS2001

The Effect of the Wall Contact and Post-Growth C001-Down on Defects in CdTe Crystals Grown by Contactless PVT

In crystal growth, the quality of the final material may depend, among other factors, on its interaction with the walls of the ampoule during and after the growth, and on the rate of the crystal cool-down at the end of ate the process. To investigate the above phenomena, a series of CdTe crystal growth processes was carried out, The crystals were grown by physical vapor transport without contact with the side walls of the silica glass ampoules, applying the Low Supersaturation Nucleation technique. The source temperature was 930 C, the undercooling was a few degrees. The crystals, having the diameter of 25 mm, grew at the rate of a few mm per day. The post-growth cool-down to the room temperature was conducted at different rates, and lasted from a few minutes to four days. The crystals were characterized using chemical etching low temperature luminescence, and Synchrotron White Beam X-ray Topography techniques. The dislocation (etch pit) density was measured and its distribution was analyzed by comparison with Poisson curves and with the Normalized Radial Distribution Correlation Function. It was found that the contact of the crystal with silica leads to a strain field and high (in the 105 sq cm range) dislocation (etch pit) density. Similar defect concentrations were found in crystals subjected to fast post-growth cool-down. Typical EPD values for lower cool-down rates and in regions not affected by wall interactions are in the lower 10(exp 4) sq cm range. In some areas the actual dislocation density was about 10(exp 3) sq cm or even less. No apparent effect of the cool-down rate on polygonization was observed. A fine structure could be discerned in low-temperature PL spectra of crystals with low dislocation density.

Palosz, W.↗
DOE OSTI2020

Confinement-mediated phase behavior of hydrocarbon fluids: Insights from Monte Carlo simulations

The phase behavior of hydrocarbon fluids confined in porous media has been discussed to deviate significantly from that in the bulk environment due to the existence of sub-10nm pores. Though experiments and simulations have measured the bubble/dew points and sorption isotherms of hydrocarbons confined in both natural and synthetic nanopores, the confinement effects in terms of the strength of fluid-pore interactions tuned by surface wettability and chemistry have received comparably less discussion. More significantly, the underlying physics of confinement-induced phenomena remain obfuscated. In this work, we studied the phase behavior and capillary condensation of n-hexane to understand the effects of confinement at the molecular level. To systematically investigate the pore effects, we constructed two types of wall confinements; one is a structureless virtual wall described by the Steele potential and the other one is an all-atom amorphous silica structure with surface modified by hydroxyl groups. Our numerical results demonstrated the importance of fluid-pore interaction, pore size, and pore morphology effects in mediating the pressure-volume-temperature (PVT) properties of hydrocarbons. The most remarkable finding of this work was that the saturation pressure predicted from the van der Waals-type adsorption isothermal loop could be elevated or suppressed relative to the bulk phase, as illustrated in the graphical abstract. As the surface energy (i.e., fluid-pore interaction) decreased, the isothermal vapor pressure increased, indicating a greater preference for the fluid to exist in the vapor state. Sufficient reduction of the fluid-pore interactions could even elevate the vapor pressure above that of the bulk fluid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

The Effect of the Wall Contact and Post-Growth, Cool-Down on Defects in CdTe Crystals Grown By 'Contactless' PVT

To take a maximum advantage of materials processing in microgravity for understanding the effects of gravity, gravity-independent effects should be minimized. In crystal growth, the quality of the grown crystals may depend, among other factors, on their interaction with the walls of the processing container during and after growth, and on the rate of the crystal cool-down at the end of the process. To investigate the above phenomena, a series of CdTe crystal growth processes was carried out. The crystals were grown by physical vapor transport without contact with the side walls of the silica glass ampoules. To eliminate the effect of the seed quality, and to reduce the number of nuclei and related crystal grains, the Low Supersaturation Nucleation technique was applied. The source temperature was 930 C, the undercooling was a few degrees. The crystals, having the diameter of 25 mm, grew at the rate of a few mm per day. The post-growth cool-down to the room temperature was conducted at different rates, and lasted from a few minutes to four days. The crystals were characterized using chemical etching, low temperature luminescence, and Synchrotron White Beam X-ray Topography techniques. The dislocation (etch pit) density was measured and its distribution was analyzed by comparison with Poisson curves and with the Normalized Radial Distribution Correlation Function. In the regions where the crystal is in contact with silica, the materials show a considerable strain field which extends for a few mm or more from the silica-crystal interface. In the reference crystal grown with contact with the ampoule walls, and when the crystals are cooled at the highest rates, the etch pit/dislocation density is in the high 10(exp 5) per square centimeter region. Typical EPD values for lower cool-down rates are in the lower 10(exp 4) per square centimeter region. In some areas the actual dislocation density was about 10(exp 3) per square centimeter or even less. No apparent effect of the cool-down rate on polygonization was observed. Low temperature PL spectra show, that the dominant peak is (D(sup 0), h) and (A(sup 0), e) for samples with low and high dislocation densities, respectively. For low EPD crystals a peak at 1.45 eV with 21 meV phonon replicas was observed and attributed to donor-acceptor pair to neutral copper-acceptor transition. In high EPD crystals this PL structure was not observed, apparently due to the masking effect of the strong contribution from the dislocation band.

Palosz, W.↗
NASA NTRS2001

Formation of Residual Gases from Source Materials in Closed Crystal Growth Systems

Different, non-constituent cases are present in crystal growth systems and may affect processes like growth rate in PVT or voids formation and detached solidification in melt growth systems. The presence of the gas may be detrimental or advantageous depending on its amount and composition, and on the process in question. The presence of the cases, their amount and composition, can be caused and changed by diffusion through and desorption from the growth container material. We have investigated these phenomena for silica glass ampoules. We also found, that residual cases can be generated by the source materials: even very high purity commercial elements and compounds may contain trace amounts of impurities, particularly oxides. The oxides may have low volatilities themselves but their reaction with other species, particularly carbon and hydrogen, may produce volatile compounds like water or carbon oxides. The amount of the gas and its composition is dependent on the original purity of the material (oxide contaminants) and the heat treatment of the source prior to sealing. In many cases. particularly at temperatures below about 900 C and in well-outgassed ampoules, this mechanism dominates. The problem is of a particular importance in sealed systems where the amount and composition of the gas cannot be directly controlled. Therefore, a reasonable knowledge and understanding of the origin, composition, magnitude, and change with time of gases present in sealed ampoules may be important for a meaningful control and interpretation of crystal growth processes. We have investigated this phenomenon in more details for a number of elements and compounds, primarily for II-VI and IV-VI materials. Different source pre-treatment and annealing procedures were applied, and subsequent consecutive annealings and measurements were done to determine the origin and development of the gas in the systems.

Palosz, W.↗
NASA NTRS2019

The Cognition and Fine Motor Skills Test Batteries: Normative Data and Interdependencies

Space mission success and safety relies upon astronaut functional state. Since spaceflight stressors affect cognitive processing and fine motor skills, NASA requires that measures of performance of these things remain within clinically accepted values (NASA STD 3001). NASA is in the process of developing two test batteries for the assessment of crew cognitive and fine motor skills before, during and after spaceflight. Toward that goal, the current project collected normative scores in 91 “astronaut-like” military and civilian pilots. The Cognition Test Battery (CTB) contains ten sub-tests that measure a range of cognitive abilities. For five of the ten CTB sub-tests, we propose scores to improve the battery’s sensitivity. Among the ten sub-tests, response times were more highly correlated than accuracy scores. Principle component analysis of the correlations revealed that the first response time factor could explain over 40% of the total variance and appeared to represent the tendency of observers to try to respond more quickly. The first accuracy factor (explaining only 20%) gave a high weight to the higher level cognitive sub-tests and a negative weight to tasks associated with motor and lower level cognitive processing. The Fine Motor Skills (FMS) test battery contains four sub-tests (Tracking, Pointing, Tracing, Rotating) performed on an Apple iPad tablet computer. Principle component analysis on the sub-test response time correlations revealed that the first two factors accounted for ~80% of the variance in performance. The first component captured overall speed on all four of the sub-tests. The second factor separated the sub-tasks into two groups (Drag-Point vs Trace-Rotate). Previous work found the first group response times correlated with that of a standard peg board task, while those of the other group did not. Correlations were computed between the first FMS factor and the response time and accuracy scores from each CTB sub-task. Performing fine motor behaviors rapidly was significantly correlated with the ability to perform many of the CTB sub-tests rapidly. This ability cannot be simple motor speed since scores on the Psychomotor Vigilance Test (PVT) subtask did not correlate with the ability to perform the other tasks rapidly. Speed on fine motor skills correlated significantly with accuracy on the short-term-memory sub-test. We hypothesize that eye movements, which can be regarded as a fine motor skill, may explain this relationship.

cognition↗