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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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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

M PX 3 van der Waals magnets under pressure ( M = Mn, Ni, V, Fe, Co, Cd; X = S, Se)

van der Waals antiferromagnets with chemical formula MPX 3 (M = V, Mn, Fe, Co, Ni, Cd; X = S, Se) are superb platforms for exploring the fundamental properties of complex chalcogenides, revealing their structure-property relations and unraveling the physics of confinement. Pressure is extremely effective as an external stimulus, able to tune properties and drive new states of matter. In this review, we summarize experimental and theoretical progress to date with special emphasis on the structural, magnetic, and optical properties of the MPX 3 family of materials. Under compression, these compounds host inter-layer sliding and insulator-to-metal transitions accompanied by dramatic volume reduction and spin state collapse, piezochromism, possible polar metal and orbital Mott phases, as well as superconductivity. Some responses are already providing the basis for spintronic, magneto-optic, and thermoelectric devices. We propose that strain may drive similar functionality in these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Efficient Optical Control of Magnon Dynamics in van der Waals Ferromagnets

Optical control of magnons in two-dimensional (2D) materials promises new functionalities for spintronics and magnonics in atomically thin devices. Here, we report control of magnon dynamics, using laser polarization, in a ferromagnetic van der Waals (vdW) material, Fe 3.6 Co 1.4 GeTe 2 . The magnon amplitude, frequency, and lifetime are controlled and monitored by time-resolved pump-probe spectroscopy. We show substantial (over 25%) and continuous modulation of magnon dynamics as a function of incident laser polarization. Our results suggest that the modification of the effective demagnetization field and magnetic anisotropy by the pump laser pulses with different polarizations is due to anisotropic optical absorption. This implies that pump laser pulses modify the local spin environment, which enables the launch of magnons with tunable dynamics. Our first-principles calculations confirm the anisotropic optical absorption of different crystal orientations. Our findings suggest a new route for the development of opto-spintronic or opto-magnonic devices.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Imaginary-frequency polarizability and van der Waals force constants of two-electron atoms, with rigorous bounds

Variational functionals of Braunn and Rebane (1972) for the imagery-frequency polarizability (IFP) have been generalized by the method of Gramian inequalities to give rigorous upper and lower bounds, valid even when the true (but unknown) unperturbed wavefunction must be represented by a variational approximation. Using these formulas in conjunction with flexible variational trial functions, tight error bounds are computed for the IFP and the associated two- and three-body van der Waals interaction constants of the ground 1(1S) and metastable 2(1,3S) states of He and Li(+). These bounds generally establish the ground-state properties to within a fraction of a per cent and metastable properties to within a few per cent, permitting a comparative assessment of competing theoretical methods at this level of accuracy. Unlike previous 'error bounds' for these properties, the present results have a completely a priori theoretical character, with no empirical input data.

Glover, R. M.↗
NASA NTRS1978

The effect of the London-van der Waals dispersion force on interline heat transfer

A theoretical procedure to determine the heat transfer characteristics of the interline region (junction of liquid-solid-vapor) from the macroscopic optical and thermophysical properties of the system is outlined. The analysis is based on the premise that the interline transport processes are controlled by the London-van der Waals dispersion force between condensed phases (solid and liquid). Numerical values of the dispersion constant are presented. The procedure is used to compare the relative size of the interline heat sink of various systems using a constant heat flux mode. This solution demonstrates the importance of the interline heat flow number, which is evaluated for various systems.

Wayner, P. C., Jr.↗
NASA NTRS1981

Effects of zero van der Waals and zero electrostatic forces on droplet sedimentation

The present investigation provides a confirmation of the dependence of droplet sedimentation on particle concentration. It is shown that it is possible to determine the maximum particle concentration which can remain stable on a given liquid from droplet sedimentation experiments. Droplet sedimentation can be reduced but not totally eliminated by the addition of appropriate amounts of dimethyl sulfoxide (DMSO) to reduce the van der Waals forces to zero. It was found that, at 12% DMSO, a maximum particle concentration of 6.3 x 10 to the 8th cells/ml of glutaraldehyde-fixed human erythrocytes suspended in physiological saline can remain stable on a D2O cushion.

Omenyi, S. N.↗
NASA NTRS1982

Power series expansions for the frequency and period of the limit cycle of the van der Pol equation

An equation reported by van der Pol (1926) in connection with relaxation-oscillations studies is considered. The equation contains the factor epsilon which can assume values in the range from zero to infinity. The period T(epsilon), or equivalently the frequency nu(epsilon) of the limit cycle has been studied. However, to date there has been little success in discovering the analytical structure of T(epsilon) as a function of epsilon. The present investigation has the objectives to present the Taylor series expansion of nu(epsilon), to locate the singularities which determine the radius of convergence of that expansion, to introduce a new damping variable in terms of which the expansion converges for all epsilon, to form a new expansion for the period T(epsilon) which improves the rate of convergence of the series, to attempt to 'complete' the series, and to compare the obtained results with the numerically determined values of T(epsilon) and with the asymptotic approximation valid for large epsilon.

Andersen, C. M.↗
NASA NTRS1983

Perturbation analysis of the limit cycle of the free van der Pol equation

A power series expansion in the damping parameter, epsilon, of the limit cycle of the free van der Pol equation is constructed and analyzed. Coefficients in the expansion are computed in exact rational arithmetic using the symbolic manipulation system MACSYMA and using a FORTRAN program. The series is analyzed using Pade approximants. The convergence of the series for the maximum amplitude of the limit cycle is limited by two pair of complex conjugate singularities in the complex epsilon-plane. A new expansion parameter is introduced which maps these singularities to infinity and leads to a new expansion for the amplitude which converges for all real values of epsilon. Amplitudes computed from this transformed series agree very well with reported numerical and asymptotic results. For the limit cycle itself, convergence of the series expansion is limited by three pair of complex conjugate branch point singularities. Two pair remain fixed throughout the cycle, and correspond to the singularities found in the maximum amplitude series, while the third pair moves in the epsilon-plane as a function of t from one of the fixed pairs to the other. The limit cycle series is transformed using a new expansion parameter, which leads to a new series that converges for larger values of epsilon.

Dadfar, M. B.↗
NASA NTRS1984

Perturbation analysis of the limit cycle of the free van der Pol equation

A power series expansion in the damping parameter, epsilon, of the limit cycle of the free van der Pol equation is constructed and analyzed. Coefficients in the expansion are computed in exact rational arithmetic using the symbolic manipulation system MACSYMA and using a FORTRAN program. The series is analyzed using Padeapproximants. The convergence of the series for the maximum amplitude of the limit cycle is limited by two pair of complex conjugate singularities in the complex epsilon-plane. A new expansion parameter is introduced which maps these singularities to infinity and leads to a new expansion for the amplitude which converges for all real values of epsilon. Amplitudes computed from this transformed series agree very well with reported numerical and asymptotic results. For the limit cycle itself, convergence of the series expansion is limited by three pair of complex conjugate branch point singularities. Two pair remain fixed throughout the cycle, and correspond to the singularities found in the maximum amplitude series, while the third pair moves in the epsilon-plane as a function of t from one of the fixed pairs to the other. The limit cycle series is transformed using a new expansion parameter, which leads to a new series that converges for larger values of epsilon.

Dadfar, M. B.↗
NASA NTRS1986

van der Waals force between positronium and hydrogenic atoms Finite-mass corrections

The Feshbach projection-operator formalism is used to derive the asymptotic effective interaction potential between two atoms. Beyond the usual van der Waals potential, falling like x exp -6, three x exp -8 terms are also obtained: an attractive dipole-quadrupole term (absent in the positronium-positronium case because of symmetry), a repulsive energy-dependent term, and a repulsive mass-dependent but energy-independent one. This last term was not obtained by Manson and Ritchie (1985) using an independent method.

Au, C. K.↗
NASA NTRS1988

Nonadiabatic corrections to the van der Waals potential

Closed-form expressions are derived for the finite-mass nonadiabatic corrections to the van der Waals potential in the electric-dipole approximations in terms of London-analog two-center atomic spectral sums. The nonadiabatic corrections to all orders at threshold energy and also those with first-order energy dependence are given.

Au, C. K.↗
NASA NTRS1989

A Van der Waals-like theory of plasma double layers

A theory describing plasma double layers in terms of multiple roots of the charge density expression is presented. The theory presented uses the fact that equilibrium plasmas shield small potential perturbations linearly; for high potentials, the shielding decreases. The approach is analogous to Van der Waals' theory of simple fluids in which inclusion of approximate expressions for both excluded volume and long range attractive forces sufficiently describes the first-order liquid-gas phase transition.

Katz, Ira↗
NASA NTRS1996

Van der Waals Interactions Involving Proteins

Van der Waals (dispersion) forces contribute to interactions of proteins with other molecules or with surfaces, but because of the structural complexity of protein molecules, the magnitude of these effects is usually estimated based on idealized models of the molecular geometry, e.g., spheres or spheroids. The calculations reported here seek to account for both the geometric irregularity of protein molecules and the material properties of the interacting media. Whereas the latter are found to fall in the generally accepted range, the molecular shape is shown to cause the magnitudes of the interactions to differ significantly from those calculated using idealized models. with important consequences. First, the roughness of the molecular surface leads to much lower average interaction energies for both protein-protein and protein-surface cases relative to calculations in which the protein molecule is approximated as a sphere. These results indicate that a form of steric stabilization may be an important effect in protein solutions. Underlying this behavior is appreciable orientational dependence, one reflection of which is that molecules of complementary shape are found to exhibit very strong attractive dispersion interactions. Although this has been widely discussed previously in the context of molecular recognition processes, the broader implications of these phenomena may also be important at larger molecular separations, e.g., in the dynamics of aggregation, precipitation, and crystal growth.

Roth, Charles M.↗
NASA NTRS2007

Finite-Size Effects on the Behavior of the Susceptibility in van der Waals Films Bounded by Strongly Absorbing Substrates

We study critical point finite-size effects in the case of the susceptibility of a film in which interactions are characterized by a van der Waals-type power law tail. The geometry is appropriate to a slab-like system with two bounding surfaces. Boundary conditions are consistent with surfaces that both prefer the same phase in the low temperature, or broken symmetry, state. We take into account both interactions within the system and interactions between the constituents of the system and the material surrounding it. Specific predictions are made with respect to the behavior of 3He and 4He films in the vicinity of their respective liquid-vapor critical points.

phase-transition↗