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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Characterization of erosion of metallic materials under cavitation attack in a mineral oil

Cavitation erosion and erosion rates of eight metallic materials representing three crystal structures were studied using a 20-kHz ultrasonic magnetostrictive oscillator in viscous mineral oil. The erosion rates of the metals with an fcc matrix were 10 to 100 times higher than that of an hcp-matrix titanium alloy. The erosion rates of iron and molybdenum, with bcc matrices, were higher than that of the titanium alloy but lower than those of the fcc metals. Scanning electron microscopy indicates that the cavitation pits are initially formed at the grain boundaries and precipitates and that the pits that formed at the triple points grew faster than the others. Transcrystalline craters formed by cavitation attack over the surface of grains and roughened the surfaces by multiple slip and twinning. Surface roughness measurements show that the pits that formed over the grain boundaries deepended faster than other pits. Computer analysis revealed that a geometric expression describes the nondimensional erosion curves during the time period 0.5 t(0) t 2.5 t(0), where t(0) is the incubation period. The fcc metals had very short incubation periods; the titanium alloy had the longest incubation period.

Rao, B. C. S.↗
NASA NTRS1985

Characterization of erosion of metallic materials under cavitation attack in a mineral oil

Cavitation erosion and erosion rates of eight metallic materials representing three crystal structures were studied. The erosion experiments were conducted with a 20-kHz ultrasonic magnetostrictive oscillator in a viscous mineral oil. The erosion rates of the metals with an fcc matrix were 10 to 100 times higher than that of an hop-matrix titanium alloy. The erosion rates of iron and molybdenum, with bcc matrices, were higher than that of the titanium alloy but lower than those of those of the fcc materials. Studies with scanning electron microscopy indicated that the cavitation pits were initially formed at the grain boundaries and precipitates and that the pits formed at the junction of grain boundaries grew faster than the others. Transcrystalline craters formed by cavitation attack over the surface of grains and roughened the surfaces by multiple slip and twinning. Surface roughness measurements showed that the pits that formed over the grain boundaries deepened faster than pits. Computer analysis revealed that a geometric expression describes the nondimensional erosion curves during the time period 0.5 t (sub 0) t 2.5 t (sub 0), where t (sub 0) is the incubation period. The fcc metals had very short incubation periods; the titanium alloy had the longest incubation period.

Rao, B. C. S.↗
NASA NTRS1993

Multilayer Relaxation and Surface Energies of FCC and BCC Metals Using Equivalent Crystal Theory

The multilayer relaxation of fcc and bcc metal surfaces is calculated using equivalent crystal theory. The results for changes in interplanar spacings of planes close to the surface and the ensuing surface energies are discussed in reference to other theoretical results and compared to available experimental data. The calculation includes high-index surfaces for which no other theoretical results are known.

Rodriguez, Agustin M.↗
NASA NTRS1973

The influence of defects and impurities on the nucleation and growth of oriented films by evaporation

The influence of substrate imperfections on the nucleation and growth of fcc metals on alkali halides is discussed. Films deposited on well characterized substrated under well defined vacuum evaporation conditions are investigated. The experimental results of this work are correlated with similar work by other investigators. Models which have been proposed by various authors to explain experimental results are critically examined and areas of difficulty are pointed out. The influence of defects on nucleation rate and the orientation of the film is emphasized. Specific examples of impurity effects, irradiation effects and the influence of amorphous layers are discussed in detail. Evidence is shown that the formation of multiply twinned particles is a result of coalescence and growth. The only consistent model for the orienting influence of impurities is shown to be a chemical reaction effect. It is demonstrated that an alkali metal impurity is very likely responsible for the orienting influence of both water vapor exposure and irradiation. A negative result is found for the reported possibility of an orienting influence being transmitted through an amorphous layer.

Green, A. K.↗
NASA NTRS1993

Heat of segregation of single substitutional impurities

The method of Bozzolo, Ferrante and Smith (BFS) is applied for the calculation of the heat of segregation of single substitutional impurities in fcc metals. A simple equation for predicting the heat of segregation is derived for the rigid case (no atomic relaxations). The results of including atomic relaxation using a Monte Carlo method are also presented and the results compared with a number of experimental and theoretical results.

Bozzolo, Guillermo↗
NASA NTRS1994

Simulation of Tip-Sample Interaction in the Atomic Force Microscope

Recent simulations of the interaction between planar surfaces and model Atomic Force Microscope (AFM) tips have suggested that there are conditions under which the tip may become unstable and 'avalanche' toward the sample surface. Here we investigate via computer simulation the stability of a variety of model AFM tip configurations with respect to the avalanche transition for a number of fcc metals. We perform Monte-Carlo simulations at room temperature using the Equivalent Crystal Theory (ECT) of Smith and Banerjea. Results are compared with recent experimental results as well as with our earlier work on the avalanche of parallel planar surfaces. Our results on a model single-atom tip are in excellent agreement with recent experiments on tunneling through mechanically-controlled break junctions.

Good, Brian S.↗
NASA NTRS1994

Modelling of Surfaces. Part 1: Monatomic Metallic Surfaces Using Equivalent Crystal Theory

We present a detailed description of equivalent crystal theory focusing on its application to the study of surface structure. While the emphasis is in the structure of the algorithm and its computational aspects, we also present a comprehensive discussion on the calculation of surface energies of metallic systems with equivalent crystal theory and other approaches. Our results are compared to experiment and other semiempirical as well as first-principles calculations for a variety of fcc and bcc metals.

Bozzolo, Guillermo↗
NASA NTRS2004

Investigation of Three-Dimensional Stress Fields and Slip Systems for FCC Single Crystal Superalloy Notched Specimens

Metals and their alloys, except for a few intermetallics, are inherently ductile, i.e. plastic deformation precedes fracture in these materials. Therefore, resistance to fracture is directly related to the development of the plastic zone at the crack tip. Recent studies indicate that the fracture toughness of single crystals depends on the crystallographic orientation of the notch as well as the loading direction. In general, the dependence of crack propagation resistance on crystallographic orientation arises from the anisotropy of (i) elastic constants, (ii) plastic deformation (or slip), and (iii) the weakest fracture planes (e.g. cleavage planes). Because of the triaxial stress state at the notch tips, many slip systems that otherwise would not be activated during uniaxial testing, become operational. The plastic zone formation in single crystals has been tackled theoretically by Rice and his co-workers and only limited experimental work has been conducted in this area. The study of the stresses and strains in the vicinity of a FCC single crystal notch tip is of relatively recent origin. We present experimental and numerical investigation of 3D stress fields and evolution of slip sector boundaries near notches in FCC single crystal tension test specimens, and demonstrate that a 3D linear elastic finite element model that includes the effect of material anisotropy is shown to predict active slip planes and sectors accurately. The slip sector boundaries are shown to have complex curved shapes with several slip systems active simultaneously near the notch. Results are presented for surface and mid-plane of the specimens. The results demonstrate that accounting for 3D elastic anisotropy is very important for accurate prediction of slip activation near FCC single crystal notches loaded in tension. Results from the study will help establish guidelines for fatigue damage near single crystal notches.

Arakere, Nagaraj K.↗
NASA NTRS1986

The structure of small metal clusters

One metal atom surrounded by its 12 nearest neighbors is considered for both D(3d) (face-centered cubic-like) and D(3h) (hexagonal close-packed-like) geometries. For Al and Be, the neutral cluster and the positive and negative ions are considered for idealized (all bonds equal) and distorted geometries. The D(3d) geometry is found to be the lowest for Be13, while the D(3h) geometry is lower for Al13. This is the reverse of what is expected based upon the bulk metal structures, Be(hcp) and Al(fcc). Al13 is found to have only small distortions, while Be13 shows large distortions for both the D(3d) and D(3h) geometries. The ions have geometries which are similar to those found for the neutral systems. Both all-electron and effective core potential calculations were carried out on the X13 clusters; the agreement is very good.

Bauschlicher, C. W., Jr.↗
NASA NTRS1994

Multilayer Relaxation and Surface Energies of Metallic Surfaces

The perpendicular and parallel multilayer relaxations of fcc (210) surfaces are studied using equivalent crystal theory (ECT). A comparison with experimental and theoretical results is made for AI(210). The effect of uncertainties in the input parameters on the magnitudes and ordering of surface relaxations for this semiempirical method is estimated. A new measure of surface roughness is proposed. Predictions for the multilayer relaxations and surface energies of the (210) face of Cu and Ni are also included.

Bozzolo, Guillermo↗
NASA NTRS1971

Surface field analysis of splitting of orbitals of atoms and ions approaching a metal surface.

The splitting of p- and d-orbitals of an atom or an ion which is caused by the locally varying potential near the surface of a realistic metal has been studied for bcc and fcc substrates. A quasi-ionic model is reasonable at close distance, inasmuch as the electron gas does not completely screen the ionic cores. The arrangement of ion cores near the surface causes the potential to vary in three dimensions. Expressions for energy levels were derived for an unsymmetric group using the quasi-ionic model and techniques used in the treatment of crystal field of nearest neighbors. A number of cases involving ions, as well as atoms in the vicinity of a metal substrate were numerically evaluated.

Rao, P. V. S.↗