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NASA NTRS1960

Vacancy Relaxation in Cubic Crystals

The configuration of the atoms surrounding a vacancy in four face-centered cubic and three body-centered cubic metals has been computed, using a pairwise, central-force model in which the energy of interaction between two atoms was taken to have the form of a Morse function. Only radial relaxations were considered. The first and second nearest-neighbor relaxations for the face-centered systems were found to be: Pb (1.42,−0.43), Ni (2.14,−0.39), Cu(2.24,−0.40) and Ca (2.73,−0.41, expressed in percentages of normal distances. For the body-centered systems the relaxations out to the fourth nearest neighbors to the vacancy were: Fe (6.07,−2.12, −0.25, −), Ba (7.85, −2.70, 0.70, −0.33) and Na (10.80, −3.14, 3.43, −0.20). The positive signs indicate relaxation toward the vacancy and the negative signs indicate relaxation away from the vacancy. The energies of relaxation (eV) are: Pb (0.162), Ni (0.626), Cu (0.560), Ca (0.400), Fe (1.410), Ba (0.950) and Na (0.172).

Girifalco, L. A.↗

NASA NTRS1993

Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC

The quartic force fields of HCN and HNC are determined using atomic natural orbital one-particle basis sets of spdf/spd and spdfg/spdf quality in conjunction with the CCSD(T) electron correlation method (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations). The HCN force field is in good agreement with a recent experimentally derived force field and also with the force field recently computed by Wong and Bacskay. On the basis of the good agreement obtained for HCN, it is argued that the ab initio quartic force field for HNC is superior to a prior force field derived from experiment. The harmonic frequencies of HNC are predicted to be 3822 +/- 10,472 +/- 5, and 2051 +/-10/cm for omega1, omega2, and omega3, respectively; the experimentally derived values are above these values and fall outside the estimated uncertainties. Using the quartic force field, spectroscopic constants are predicted for HNC based on a vibrational second-order perturbation theory analysis. It is also asserted that the gas-phase fundamental v(sub 3) for HNC is slightly lower than the matrix isolation value. The range of validity of the quartic force fields is investigated by comparison of variational vibrational energies computed with the quartic force fields to those obtained from our recently reported global HCN/HNC potential energy surface and also to experimental data.

Lee, Timothy J.↗

NASA NTRS1993

Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC

The quartic force fields of HCN and HNC are determined using atomic natural orbital one-particle basis sets of spdf/spd and spdfg/spdf quality in conjunction with the CCSD(T) electron correlation method (singles and doubles coupled-cluster theory plus a perturbation estimate of the effects of connected triple excitations). The HCN force field is in good agreement with a recent experimentally derived force field and also with the force field recently computed by Wong and Bacskay. On the basis of the good agreement obtained for HCN, it is argued that the ab initio quartic force field for HNC is superior to a prior force field derived from experiment. The harmonic frequencies of HNC are predicted to be 3822 +/- 10, 472 +/- 5, and 2051 +/- 10 cm(exp -1) for omega(sub 1), omega(sub 2), and omega(sub 3), respectively; the experimentally derived values are above these values and fall outside the estimated uncertainties. Using the quartic force field, spectroscopic constants are predicted for HNC based on a vibrational second-order perturbation theory analysis. It is also asserted that the gas-phase fundamental nu(sub 3) for HNC is slightly lower than the matrix isolation value. The range of validity of the quartic force fields is investigated by comparison of variational vibrational energies computed with the quartic force fields to those obtained from our recently reported global HCN/HNC potential energy surface and also to experimental data.

Lee, Timothy J.↗

NASA NTRS2018

Direct Probe of Dark Energy Interactions with a Solar System Laboratory: NASA Innovative Advanced Concepts (NIAC) - Phase 1 Final Report

In this NIAC (NASA Innovative Advanced Concepts) study, we embrace the challenge of direct detection of the galileon dark energy field in the Vainshtein model. We developed a mission concept to directly measure the galileon field using the solar system as a laboratory. The experiment scheme involves precise measurements of the trace of the total scalar force gradient tensor. A tetrahedral constellation off our spacecraft measures the "local" traces while orbiting about 1 AU (Astronomical Unit) away from the Sun and faraway from planets (Figure 1). The trace measurement is insensitive to the much stronger gravity field which satisfies the inverse square law and thus is traceless. Atomic test masses and atom interferometer measurement techniques are used as precise drag-free inertial references while laser ranging interferometers are employed to connect among atom interferometer pairs in spacecraft for the differential gradient force measurements. We conclude that such a mission is scientifically and technologically feasible. We show that a mission of 3-year measurement time would be able to provide high confidence statements (over 3 standard deviations) about the existence and strength of the cubic galileon field of the Sun. In addition, such a mission would also provide rich and diverse scientific data for testing any gravitational theory in general beyond the Newtonian gravity, hunting for ultra-light fields of dark matter, and detecting gravitational waves in the mid-frequency band between those of LIGO (Laser Interferometer Gravitational-Wave Observatory) and LISA (Laser Interferometer Space Antenna). For these reasons, we will term the mission concept Gravity Observation and Dark energy Detection Explorer in the Solar System (GODDESS).

Dark Energy↗

NASA NTRS1987

Mass spectrometers and atomic oxygen

The likely role of atmospheric atomic oxygen in the recession of spacecraft surfaces and in the shuttle glow has revived interest in the accurate measurement of atomic oxygen densities in the upper atmosphere. The Air Force Geophysics Laboratory is supplying a quadrupole mass spectrometer for a materials interactions flight experiment being planned by the Johnson Space Center. The mass spectrometer will measure the flux of oxygen on test materials and will also identify the products of surface reactions. The instrument will be calibrated at a new facility for producing high energy beams of atomic oxygen at the Los Alamos National Laboratory. The plans for these calibration experiments are summarized.

Hunton, D. E.↗

NASA NTRS2004

Progress towards a space-borne quantum gravity gradiometer

Quantum interferometer gravity gradiometer for 3D mapping is a project for developing the technology of atom interferometer-based gravity sensor in space. The atom interferometer utilizes atomic particles as free fall test masses to measure inertial forces with unprecedented sensitivity and precision. It also allows measurements of the gravity gradient tensor components for 3D mapping of subsurface mass distribution. The overall approach is based on recent advances of laser cooling and manipulation of atoms in atomic and optical physics. Atom interferometers have been demonstrated in research laboratories for gravity and gravity gradient measurements. In this approach, atoms are first laser cooled to micro-kelvin temperatures. Then they are allowed to freefall in vacuum as true drag-free test masses. During the free fall, a sequence of laser pulses is used to split and recombine the atom waves to realize the interferometric measurements. We have demonstrated atom interferometer operation in the Phase I period, and we are implementing the second generation for a complete gradiometer demonstration unit in the laboratory. Along with this development, we are developing technologies at component levels that will be more suited for realization of a space instrument. We will present an update of these developments and discuss the future directions of the quantum gravity gradiometer project.

laser cooling↗

NASA NTRS1964

Some Theoretical Aspect of Cryosorption

When a gas or vapor is allowed to come to equilibrium with a solid surface, the concentration of gas molecules is always found to be greater in the immediate vicinity of the surface than in the free gas phase, regardless of the nature of the gas or of the surface. The process by which this surface excess is formed is termed adsorption. In any solid, the atoms at the surface are subject to unbalanced forces of attraction normal to the surface plane; the balance of forces is partially restored by the adsorption of gas molecules. If the forces responsible for adsorption are of van der Waals type, the process is called physical adsorption. Furthermore, if the solid (and its surface) are maintained at relatively low temperatures (say 50°K or below), the term cryosorption is used.

ADSORPTION↗

NASA NTRS1977

Plasma rotation by electric and magnetic fields in a discharge cylinder

A theoretical model for an electric discharge consisting of a spatially diverging plasma sustained electrically between a small ring cathode and a larger ring anode in a cylindrical chamber with an axial magnetic field is developed to study the rotation of the discharge plasma in the crossed electric and magnetic fields. The associated boundary-value problem for the coupled partial differential equations which describe the electric potential and the plasma velocity fields is solved in closed form. The electric field, current density, and velocity distributions are discussed in terms of the Hartmann number and the Hall coefficient. As a result of Lorentz forces, the plasma rotates with speeds as high as 1 million cm/sec around its axis of symmetry at typical conditions. As an application, it is noted that rotating discharges of this type could be used to develop a high-density plasma-ultracentrifuge driven by j x B forces, in which the lighter (heavier) ion and atom components would be enriched in (off) the center of the discharge cylinder.

Wilhelm, H. E.↗

NASA NTRS1987

Effects of space plasma discharge on the performance of large antenna structures in low Earth orbit

The anomalous plasma around spacecrafts in low Earth orbit represents the coma of an artificial comet. The plasma discharge is caused by an energetic disturbance of charged particles which were formerly in a state of equilibrium. The plasma can effect the passive and active radio frequency operation of large space antennas by inducing corona discharge or strong arcing in the antenna feeds. One such large space antenna is the 15-meter hoop column antenna which consists of a mesh membrane material (tricot knitted gold plated wire) reflector and carbon fiber tension cords. The atomic oxygen in the plasma discharge state can force the wire base metal particles through the gold lattice and oxydize the metal particles to build a Schottky-barrier contact at the point where the wires meet. This effect can cause strong deviations in the reflector performance in terms of antenna pattern and losses. Also, the carbon-fiber cords can experience a strength reduction of 30 percent over a 40-hour exposure time.

Blume, Hans-Juergen C.↗

NASA NTRS1989

Ultra-sensitive inertial sensors via neutral-atom interferometry

Upon looking at the various colossal interferometers, etc., discussed at this conference to test gravitational theory, one cannot avoid feeling that easier approaches exist. The use of low velocity, neutral atom matter waves in place of electromagnetic waves in sensitive inertial interferometer configurations is proposed. For applications, spacecraft experiments to sense a drag-free condition, to measure the Lense-Thirring precession, to measure the gravitomagnetic effect and/or the earth's geopotential (depending on altitude), and to detect long period gravitational waves are considered. Also, a terrestrial precision test of the equivalence principle on spin polarized atoms, capable of detecting effects of the 5th force is considered. While the ideas described herein are preliminary, the orders of magnitude are sufficiently tantalizing to warrant further study. Although existing proposed designs may be adequate for some of these experiments, the use of matter-wave interferometry offers reduced complexity and cost, and an absence of cryogenics.

Clauser, John F.↗

NASA NTRS1962

Estimated Viscosities and Thermal Conductivities of Gases at High Temperatures

Viscosities and thermal conductivities, suitable for heat-transfer calculations, were estimated for about 200 gases in the ground state from 100 to 5000 K and 1-atmosphere pressure. Free radicals were included, but excited states and ions were not. Calculations for the transport coefficients were based upon the Lennard-Jones (12-6) potential for all gases. This potential was selected because: (1) It is one of the most realistic models available and (2) intermolecular force constants can be estimated from physical properties or by other techniques when experimental data are not available; such methods for estimating force constants are not as readily available for other potentials. When experimental viscosity data were available, they were used to obtain the force constants; otherwise the constants were estimated. These constants were then used to calculate both the viscosities and thermal conductivities tabulated in this report. For thermal conductivities of polyatomic gases an Eucken-type correction was made to correct for exchange between internal and translational energies. Though this correction may be rather poor at low temperatures, it becomes more satisfactory with increasing temperature. It was not possible to obtain force constants from experimental thermal conductivity data except for the inert atoms, because most conductivity data are available at low temperatures only (200 to 400 K), the temperature range where the Eucken correction is probably most in error. However, if the same set of force constants is used for both viscosity and thermal conductivity, there is a large degree of cancellation of error when these properties are used in heat-transfer equations such as the Dittus-Boelter equation. It is therefore concluded that the properties tabulated in this report are suitable for heat-transfer calculations of gaseous systems.

HEAT TRANSFER↗

NASA NTRS1995

Resistance to Rolling in the Adhesive Contact of Two Elastic Spheres

For the stability of agglomerates of micron sized particles it is of considerable importance to study the effects of tangential forces on the contact of two particles. If the particles can slide or roll easily over each other, fractal structures of these agglomerates will not be stable. We use the description of contact forces by Johnson, Kendall and Roberts, along with arguments based on the atomic structure of the surfaces in contact, in order to calculate the resistance to rolling in such a contact. It is shown that the contact reacts elastically to torque forces up to a critical bending angle. Beyond that, irreversible rolling occurs. In the elastic regime, the moment opposing the attempt to roll is proportional to the bending angle and to the pull-off force P(sub c). Young's modulus of the involved materials has hardly any influence on the results. We show that agglomerates of sub-micron sized particles will in general be quite rigid and even long chains of particles cannot be bent easily. For very small particles, the contact will rather break than allow for rolling. We further discuss dynamic properties such as the possibility of vibrations in this degree of freedom and the typical amount of rolling during a collision of two particles.

Dominik, C.↗

NASA NTRS1995

Resistance to Rolling in the Adhesive Contact of Two Elastic Spheres

Dominik, C.↗

NASA NTRS2024

Storm-Time Variability of Terrestrial Hydrogen Exosphere: Kinetic Simulation Results

Recent studies of TWINS Lyman-α observations have reported an increase in geocoronal column brightness during geomagnetic storms, indicating enhanced exospheric hydrogen atom density (NH). This suggests a complex role of exospheric neutrals in determining storm-time magnetosphere dynamics and their energy release through charge-exchange processes. We developed a Model for Analyzing Terrestrial Exosphere (MATE) to investigate storm-time exospheric behaviors and their physical drivers. MATE traces test hydrogen atoms backward in time from locations in the exosphere to a nominal exobase altitude of 500 km, employing Newtonian mechanics with gravitational force. The model then calculates the phase-space densities (PSDs) of test hydrogen atoms at the exobase using the Maxwellian distribution with physics-based exobase conditions from the TIMEGCM upper atmosphere model. MATE maps PSDs at the exobase to the exosphere using Liouville’s Theorem under collisionless assumptions and derives NH by integrating the PSDs across velocity space. We conducted MATE simulation before, during, and after a minor geomagnetic storm from 12 to 18 June 2008, and compared the model results with NH estimates from the TWINS geocorona data. MATE reproduces storm-time density enhancements soon after the minimum Dst is reached, matching well with a general trend of TWINS NH estimates. The results suggest that upper atmospheric heating during a geomagnetic storm increases the number of ballistic and escaping hydrogen atoms entering the exosphere from the exobase, thereby boosting NH. However, the magnitude of modeled NH mismatches the TWINS NH estimates. The potential mechanisms of this density discrepancy include the physics excluded in the MATE model — such as neutralneutral collisions, neutral-plasma charge exchange, solar radiation pressure, and photoionization — as well as the higher exobase hydrogen density of TIMEGCM compared to typical empirical values, which will be addressed in future.

Hyunju K Connor↗

NASA NTRS2004

Laboratory Apparatus Generates Dual-Species Cold Atomic Beam

A laser cooling apparatus that generates a cold beam of rubidium and cesium atoms at low pressure has been constructed as one of several intermediate products of a continuing program of research on laser cooling and atomic physics. Laser-cooled atomic beams, which can have temperatures as low as a microkelvin, have been used in diverse applications that include measurements of fundamental constants, atomic clocks that realize the international standard unit of time, atom-wave interferometers, and experiments on Bose-Einstein condensation. The present apparatus is a prototype of one being evaluated for use in a proposed microgravitational experiment called the Quantum Interferometric Test of Equivalence (QuITE). In this experiment, interferometric measurements of cesium and rubidium atoms in free fall would be part of a test of Einstein s equivalence principle. The present apparatus and its anticipated successors may also be useful in other experiments, in both microgravity and normal Earth gravity, in which there are requirements for dual-species atomic beams, low temperatures, and low pressures. The apparatus includes a pyramidal magneto-optical trap in which the illumination is provided by multiple lasers tuned to frequencies characteristic of the two atomic species. The inlet to the apparatus is located in a vacuum chamber that contains rubidium and cesium atoms at a low pressure; the beam leaving through the outlet of the apparatus is used to transfer the atoms to a higher-vacuum (lower-pressure) chamber in which measurements are performed. The pyramidal magneto-optical trap is designed so that the laser cooling forces in one direction are unbalanced, resulting in a continuous cold beam of atoms that leak out of the trap (see figure). The radiant intensity (number of atoms per unit time per unit solid angle) of the apparatus is the greatest of any other source of the same type reported to date. In addition, this is the first such apparatus capable of producing a slow, collimated beam that contains two atomic species at the same time.

Thompson, Robert↗

NASA NTRS1973

Electrostatic Hellmann-Feynman theorem applied to long-range interatomic forces - The hydrogen molecule.

The use of the electrostatic Hellmann-Feynman theorem for the calculation of the leading term in the 1/R expansion of the force of interaction between two well-separated hydrogen atoms is discussed. Previous work has suggested that whereas this term is determined wholly by the first-order wavefunction when calculated by perturbation theory, the use of the Hellmann-Feynman theorem apparently requires the wavefunction through second order. It is shown how the two results may be reconciled and that the Hellmann-Feynman theorem may be reformulated in such a way that only the first-order wavefunction is required.

Steiner, E.↗

NASA NTRS1998

Transient cavities in liquids and the nature of the hydrophobic effect

The size distributions of transient cavities in water and organic liquids, obtained from computer simulations, have provided a new means to analyze the nature of the hydrophobic effect and to evaluate the adequacy of different analytical models of this effect. The poor solubility of non-polar solutes in water is attributed to a low probability of finding in water cavities of atomic and molecular size. It has been shown that water applies more force per unit area of cavity surface than do hydrocarbon liquids. Models that successfully capture the main characteristics of the hydrophobic effect must at least include information about the density and the radial distribution of oxygen atoms in liquid water. One such model, quantitatively accurate for molecular solutes of arbitrary shape, is presented.

NASA Center ARC↗

NASA NTRS1979

Calculation of long range forces and their applications in determining gaseous properties

A discussion of various theoretical and experimental techniques for the calculation of long range interaction between two atomic systems at moderate separation is presented. Some applications of these techniques for obtaining gaseous properties are described. The forces between neutral molecules and metallic surfaces are also discussed and numerical values of heats of adsorption for a number of systems are calculated.

Singh, J. J.↗