Engineering topics

Schlosser, Herbert

Publications and source records attributed to Schlosser, Herbert.

15 records

NASA NTRS1994

Characterization on defect solids

The purpose of this research has been to develop new semi-empirical techniques to describe ceramics, alloys, and metal/ceramic interfaces with applications in mind that support the materials aspects of the high speed civil transport program (HSCT). HSCT requires methods that aid in the design of alloys and ceramics for new high strength, high temperature applications. Current theoretical methods are not capable of carrying out this mission. Hence, new accurate and more efficient theoretical techniques are needed to facilitate the design of new materials and the examination of their properties. This program concentrated on modeling ceramics, but also dealt with alloy properties to a lesser degree. The primary accomplishment of this research was the development of a new equation of state (EOS) that models the energy/bond length relationship and includes terms that represent charge transfer between cations and anions. The new EOS has been used by researchers at the Naval Research Laboratory to develop a new semi-empirical method for calculating properties of ceramics and metal ceramic interfaces based on the embedded atom method. The results of the director's discretionary fund (DDF) research describing the binding energy relation was the enabling theoretical basis. Also the workers at Cleveland State and NASA Lewis have detailed an approach based on equivalent crystal theory as part of the DDF which is currently under development. In addition, initial results for using the Harris functional method have been developed. Finally, the techniques developed by us have proved useful for the study of high pressure properties of solids and have been used extensively by researchers in this field.

Schlosser, Herbert↗

NASA NTRS1993

Multilayer relaxation and surface structure of ordered alloys

Using BFS, a new semiempirical method for alloys, we study the surface structure of fcc ordered binary alloys in the Ll(sub 2) structure (Ni3Al and Cu3Au). We show that the surface energy is lowest for the mixed composition truncation of the low-index faces of such systems. Also, we present results for the interlayer relaxations for planes close to the surface, revealing different relaxations for atoms of different species producing a rippled surface layer.

Kobistek, Robert J.↗

NASA NTRS1993

High-Pressure Equation of State for Partially Ionic Solids

Recently, we showed that the cohesive energy of partially ionic solids may be characterized by a two-term energy relationship consisting of a Coulomb term arising from the valence-charge transfer delta Z between the atoms, and a scaled universal energy function E(sup *)(a(sup *)), which accounts for the partially covalent character of the bond and for the repulsion between the atomic cores for small R; a(sup *) is a scaled length. Normalized cohesive-energy curves of alkali halide crystals and of Ti and Ag halide crystals were obtained, and the cohesive-energy-curve parameters were used to generate theoretical equation-of-state (EOS) curves for the Li, Na, K, Cs, and Ag halides. Good agreement was obtained with the experimental isothermal compression curves over a wide pressure range (0-90 kbar). In this paper we verify that the cohesive-energy relationship is valid for divalent partially ionic solids; physically reasonable charge-transfer values (1.80 less than delta Z less than 2.0) are obtained for MgO, CaO, and CaS. Next, EOS curves for LiF, NaF, Nal, CsCl, Csl, MgO, CaO, and CaS are generated in terms of the cohesive-energy parameters. These EOS's yield excellent fits to experimental isothermal-compression data and to shock-wave data to very high pressures (P(sub max)= 250-1350 kbar).

Schlosser, Herbert↗

NASA NTRS1993

Global expression for representing cohesive-energy curves. II

Schlosser et al. (1991) showed that the R dependence of the cohesive energy of partially ionic solids may be characterized by a two-term energy relationship consisting of a Coulomb term arising from the charge transfer, delta-Z, and a scaled universal energy function, E*(a *), which accounts for the partially covalent character of the bond and for repulsion between the atomic cores for small R; a* is a scaled length. In the paper by Schlosser et al., the normalized cohesive-energy curves of NaCl-structure alkali-halide crystals were generated with this expression. In this paper we generate the cohesive-energy curves of several families of partially ionic solids with different crystal structures and differing degrees of ionicity. These include the CsCl-structure Cs halides, and the Tl and Ag halides, which have weaker ionic bonding than the alkali halides, and which have the CsCl and NaCl structures, respectively. The cohesive-energy-curve parameters are then used to generate theoretical isothermal compression curves for the Li, Na, K, Cs, and Ag halides. We find good agreement with the available experimental compression data.

Schlosser, Herbert↗

NASA NTRS1992

Cohesive Energy-Lattice Constant and Bulk Modulus-Lattice Constant Relationships: Alkali Halides, Ag Halides, Tl Halides

In this note we present two expressions relating the cohesive energy, E(sub coh), and the zero pressure isothermal bulk modulus, B(sub 0), of the alkali halides. Ag halides and TI halides, with the nearest neighbor distances, d(sub nn). First, we show that the product E(sub coh)d(sub 0) within families of halide crystals with common crystal structure is to a good approximation constant, with maximum rms deviation of plus or minus 2%. Secondly, we demonstrate that within families of halide crystals with a common cation and common crystal structure the product B(sub 0)d(sup 3.5)(sub nn) is a good approximation constant, with maximum rms deviation of plus or minus 1.36%.

Schlosser, Herbert↗

NASA NTRS1991

Pressure dependence of the melting temperature of solids - Rare-gas solids

A method presented by Schlosser et al. (1989) for analyzing the pressure dependence of experimental melting-temperature data is applied to rare-gas solids. The plots of the logarithm of the reduced melting temperature vs that of the reduced pressure are straight lines in the absence of phase transitions. The plots of the reduced melting temperatures for Ar, Kr, and Xe are shown to be approximately straight lines.

Schlosser, Herbert↗

NASA NTRS1991

Global Expression for Representing Diatomic Potential-Energy Curves

A three-parameter expression that gives an accurate fit to diatomic potential curves over the entire range of separation for charge transfers between 0 and 1. It is based on a generalization of the universal binding-energy relation of Smith et al. (1989) with a modification that describes the crossover from a partially ionic state to the neutral state at large separations. The expression is tested by comparison with first-principles calculations of the potential curves ranging from covalently bonded to ionically bonded. The expression is also used to calculate spectroscopic constants form a curve fit to the first-principles curves. A comparison is made with experimental values of the spectroscopic constants.

Ferrante, John↗

NASA NTRS1991

The analysis of high pressure experimental data

This letter is concerned with the analysis of high pressure experimental data. It is demonstrated that ln H plots based on the Vinet et al. (1988) universal equation of state are a simple sensitive means for identifying anomalous P-V data in high pressure experiments and for detecting structural and phase transitions in solids subjected to high pressure.

Schlosser, Herbert↗

NASA NTRS1990

Rare-gas liquids - Equation of state and reduced-pressure, reduced-bulk-modulus, and reduced-sound-velocity functions

This paper is concerned with verification of the applicability of the Vinet et al. (1987) universal equation of state to the liquid phase of the rare-gas elements under pressure. As previously observed in solids and liquids metals, to a good approximation, in the absence of phase transitions, plots of the logarithms of the reduced pressure function, of the reduced sound velocity, and of the reduced bulk modulus, are all linear functions of 1 - X over the entire experimental pressure range. The results obtained on the rare-gas liquids are comparable in accuracy to those obtained in previous work on solids and liquid metals.

Schlosser, Herbert↗

NASA NTRS1990

Universal energy relations and metal/ceramic interfaces

Known general relationships between pertinent variables are applied to investigate metal-ceramic interfaces. The adhesive energy is determined. The electronic exchange-correlation energy is found to be the dominant attractive term in the total energy. Results for the adhesive energy are obtained for junctions of all combinations of the low index surfaces of Al,Na, Mg, and Zn. This leads to a variety of curves, all with a single minimum of separation and equilibrium binding energy. Scaling results for 10 contacts fall closely onto a single curve, a universal energy relation for adhesion. The scaled chemisorption curves fall accurately on the same universal form that was found for adhesion. For the case of cohesion, all-first principle results are scaled and again all scaled curves for a variety of metals fall accurately on the universal form for adhesion and chemisorption. An intimate relationship between the energetics of solids and molecules is inferred.

Smith, John R.↗

NASA NTRS1989

Liquid alkali metals - Equation of state and reduced-pressure, bulk-modulus, sound-velocity, and specific-heat functions

The previous work of Schlosser and Ferrante (1988) on universality in solids is extended to the study of liquid metals. As in the case of solids, to a good approximation, in the absence of phase transitions, plots of the logarithm of the reduced-pressure function H, of the reduced-isothermal-bulk-modulus function b, and of the reduced-sound-velocity function v are all linear in 1-X. Finally, it is demonstrated that ln(Cp/C/v) is also linear in 1-X, where X = (V/V/0/)exp 1/3), and V(0) is the volume at zero pressure.

Schlosser, Herbert↗

NASA NTRS1989

Pressure dependence of the melting temperature of metals

A new method for the analysis of the experimental data for the pressure dependence of the melting temperature of metals is presented. The method combines Lindemann's law, the Debye model, and a first-order equation of state with the experimental observation that the Grueneisen parameter divided by the volume is constant. It is observed that, based on these assumptions, in the absence of phase transitions, plots of the logarithm of the normalized melting temperature versus the logarithm of the normalized pressure are straight lines. It is found that the normalized-melting--temperature versus normalized-pressure curves accurately satisfy the linear relationship for Al, Ag, Au, Cs, Cu, K, Na, Pt, and Rb. In addition, this technique provides a sensitive tool for detecting phase transitions.

Schlosser, Herbert↗

NASA NTRS1989

Connection between energy relations of solids and molecules

The universal energy relation, discovered for metallic and covalent solids as well as nuclear matter, is tested for diatomic molecules. It is found that it applies well to covalent diatomic bonds, but that ionic diatomic bonds are in a distinct class. A simple extension of the universal binding energy relation that includes the effects of ionicity ensues. It yields accurate prediction of spectroscopic data for both ionic and covalent bonds in 150 molecules. The form of the covalent part is given by the universal relation, suggesting an intimate relationship between the energetics of solids and diatomic molecules.

Smith, John R.↗

NASA NTRS1989

An accurate analytic approximation to the non-linear change in volume of solids with applied pressure

An accurate analytic expression for the nonlinear change of the volume of a solid as a function of applied pressure is of great interest in high-pressure experimentation. It is found that a two-parameter analytic expression, fits the experimental volume-change data to within a few percent over the entire experimentally attainable pressure range. Results are presented for 24 different materials including metals, ceramic semiconductors, polymers, and ionic and rare-gas solids.

Schlosser, Herbert↗

NASA NTRS1988

Universality relationships in condensed matter - Bulk modulus and sound velocity

New forms for the bulk modulus and sound velocity of solids under compression, based on the universal equation of state of Vinet, Ferrante, Smith, and Rose (1987) are presented. These expressions are compared with a number of bulk modulus formulas previously utilized in high-pressure studies. It is demonstrated that this form yields a superior fit to experimental data to very high compressions, for a very wide range of solids. These solids cover the entire range of values of the pressure derivative of the bulk modulus which has been observed in high-pressure measurements.

Schlosser, Herbert↗