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At least 19 records

Equivalent crystal theory of alloys

Equivalent Crystal Theory (ECT) is a new, semi-empirical approach to calculating the energetics of a solid with defects. The theory has successfully reproduced surface energies in metals and semiconductors. The theory of binary alloys to date, both with first-principles and semi-empirical models, has not been very successful in predicting the energetics of alloys. This procedure is used to predict the heats of formation, cohesive energy, and lattice parameter of binary alloys of Cu, Ni, Al, Ag, Au, Pd, and Pt as functions of composition. The procedure accurately reproduces the heats of formation versus composition curves for a variety of binary alloys. The results are then compared with other approaches such as the embedded atom and lattice parameters of alloys from pure metal properties more accurately than Vegard's law is presented.

Bozzolo, Guillermo

Effect of small scattering centers on the thermoelectric properties of p-type SiGe alloys

Theory predicts that the addition of ultra-fine, inert, phonon-scattering centers to thermoelectric materials will reduce their thermal conductivity. To investigate this prediction, ultrafine particulates (20 to 120 A) of silicon nitride have been added to boron-doped, p-type, 80/20 SiGe. All of the SiGe samples produced from ultrafine powder have lower thermal conductivities than standard SiGe, but high-temperature heat treatment increases the thermal conductivity back to the value for standard SiGe. However, the SiGe samples with silicon nitride, inert, phonon-scattering centers retained the lower thermal conductivity after several heat treatments. A reduction of approximately 25 percent in thermal conductivity has been achieved in these samples. The magnitude of the reduction agrees with theoretical predictions.

Beaty, John S.

High-temperature ordered intermetallic alloys III; Proceedings of the Third Symposium, Boston, MA, Nov. 29-Dec. 1, 1988

The present conference on high-temperature ordered intermetallic alloys discusses alloy theory and phase stability, defects and microstructures, mechanical behavior, alloy design and material processing, multiphase and composite materials, nickel aluminides, titanium aluminides, and other ordered intermetallics. Attention is given to compositional effects on processing and properties of nickel aluminides, dynamic compaction and hot-isostatic-pressing of nickel aluminides, improvement of elevated-temperature material properties in Ni3Al, the effect of microalloying B on the high-temperature mechanical properties of Ti3Al, the effects of structure on creep of Ti-53.4 mol pct Al intermetallics, the deformation microstructure in Ni3Si polycrystals strained over the range of temperature of flow stress anomaly, and the microstructure and mechanical properties of dual phase alloys consisting of the intermetallic phases.

Liu, C. T.

High temperature static strain sensor development program

The development of resistance strain gages which are useful for static strain measurements on nickel or cobalt superalloy parts inside a gas turbine engine on a test stand were examined. These measurements of a strain gage alloy development program which to be followed by an optional investigation of complete strain gage systems which will use the best of the alloys developed together with other system improvements is reviewed. The specific goal for the complete system is to make measurements to 2,000 micro epsilon with error of only + or - 10% over a 50 hour period. In addition to simple survival and stability, attaining a low thermal coefficient to resistivity, of order 100 ppm/K or less, is also a major goal. The first task was to select candidate alloys or alloy systems using a search of the literature and the available metallurgical theory. Alloy candidates were evaluated and compared by a grading system. Equipment and techniques were developed which are suitable for iterative studies of a variety of compositions. Many compositions were examined and significantly improved alloys were identified.

Hulse, C.

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys and superlattices

This proposal was mainly concerned with the theoretical study of semiconductor compounds, alloys, and superlattices of interest for photovoltaic applications. In the last year (1991) a study was devoted to metal/graphite bonding in relation to use of graphite fiber reinforcement of Cu for high thermal conductivity applications. The main research topics addressed during the full period of the grant are briefly described: studies of the In-Ga-As ternary system; band-offsets at common anion and InAs/GaSb/AlSb heterojunctions; alloy theory (cluster variation method); and Cu/graphite bonding. Most of the work was described more extensively in previous yearly reports and renewal applications and in publications. The last topic is described more fully in a separate report attached. A list of publications resulting directly from this grant or from other grants but related to this work and of conference presentations is given at the end.

Lambrecht, Walter R. L.

High temperature inelastic deformation of the B1900 + Hf alloy under multiaxial loading - Theory and experiment

The multiaxial deformation behavior of the Ni-based alloy B1900 + Hf has been studied at elevated temperatures in the range of 649-982 C. Combined tension/torsion cyclic tests were performed on thin-wall tubular specimens under both in-phase and out-of-phase strain-controlled loading cycles. Both straining conditions resulted in stress loci of comparable magnitude, exhibiting no difference in cyclic hardening response. A phase angle was observed between the deviatoric stress and the incremental plastic strain vectors during 90-deg out-of-phase strain cycling, and nonproportional stress relaxation occurred under biaxial strain hold. The overall results have been used to assess the flow law, the hardening equations, and the applicability of the J2-based, elastic-viscoplastic model of Bodner-Partom (1979) for multiaxial loading conditions. The overall agreement between theory and experiment is good. Discrepancies are discussed in relation to micromechanical considerations.

Chan, K. S.

Dendritic solidification in a binary alloy melt - Comparison of theory and experiment

A simple model for 'constrained' growth of an 'array' of cells or dendrites in a binary alloy melt, in the presence of a positive temperature gradient in the liquid ahead of the tips, is presented. The cell or dendrite tip radius is calculated by adopting both the 'ad hoc' assumption of minimum undercooling at the tips as well as the more recently proposed hypothesis of dendritic growth under conditions of 'marginal stability'. Theoretical predictions of the model have been compared with experimental data in binary succinonitrile-acetone alloys. It has been shown that, according to the present model, the 'marginally stable' state may be virtually indistinguishable from the 'minimum undercooled' state, under the usual conditions of dendritic growth.

Laxmanan, V.

The effect of an electric field on the morphological stability of the crystal-melt interface of a binary alloy. III - Weakly nonlinear theory

The effect of a constant electric current on the crystal-melt interface morphology during directional solidification at constant velocity of a binary alloy is considered. A linear temperature field is assumed, and thermoelectric effects and Joule heating are neglected; electromigration and differing electrical conductivities of crystal and melt are taken into account. A two-dimensional weakly nonlinear analysis is carried out to third order in the interface amplitude, resulting in a cubic amplitude equation that describes whether the bifurcation from the planar state is supercritical or subcritical. For wavelengths corresponding to the most dangerous mode of linear theory, the demarcation between supercritical and subcritical behavior is calculated as a function of processing conditions and material parameters. The bifurcation behavior is a sensitive function of the magnitude and direction of the electric current and of the electrical conductivity ratio.

Wheeler, A. A.

Evaluation of Primary Dendrite Arm Spacings from Aluminum-7wt% Silicon alloys Directionally Solidified aboard the International Space Station - Comparison with Theory

Aluminum – 7wt% silicon alloys were directionally solidified in the microgravity environment aboard the International Space Station as part of the “MIcrostructure Formation in CASTing of Technical Alloys under Diffusive and Magnetically Controlled Convective Conditions” (MICAST) European led program. Cross-sections of the sample during periods of steady-state growth were metallographically prepared from which the primary dendrite arm spacing (lambda 1) was measured. These spacings were found to be in reasonable agreement with the Hunt-Lu model which assumes a diffusion-controlled, convectionless, environment during controlled solidification. Deviation from the model was found and is attributed to gravity-independent thermocapillary convection where, over short distances, the liquid appears to have separated from the crucible wall.

Angart, Samuel

Constitutive relationships for anisotropic high-temperature alloys

A constitutive theory is presented for representing the anisotropic viscoplastic behavior of high temperature alloys that posses directional properties resulting from controlled grain growth or solidification. The theory is an extension of a viscoplastic model that was applied in structural analyses involving isotropic metals. Anisotropy is introduced through the definition of a vector field that identifies a preferential (solidification) direction at each material point. Following the development of a full multiaxial theory, application is made to homogeneously stressed elements in pure shear and to a uniaxially stressed rectangular block in plane stress with the stress direction oriented at an arbitrary angle with the material direction. It is shown that an additional material parameter introduced to characterize the degree of anisotropy can be determined on the basis of simple creep tests.

Robinson, D. N.

Constitutive relationships for anisotropic high-temperature alloys

A constitutive theory is presented for representing the anisotropic viscoplastic behavior of high-temperature alloys that possess directional properties resulting from controlled grain growth or solidification. The theory is an extension of a viscoplastic model that has been applied in structural analyses involving isotropic metals. Anisotropy is introduced through the definition of a vector field that identifies a preferential (solidification) direction at each material point. Following the development of a full multiaxial theory, application is made to homogeneously stressed elements in pure shear and to a uniaxially stressed rectangular block in plane stress with the stress direction oriented at an arbitrary angle with the material direction. It is shown that an additional material parameter introduced to characterize the degree of anisotropy can be determined on the basis of simple creep tests.

Robinson, D. N.

Phase diagrams and microscopic structures of (Hg,Cd)Te, (Hg,Zn)Te, and (Cd,Zn)Te alloys

A cluster theory based on the quasi-chemical approximation has been applied to study the local correlation bond-length distribution, and phase diagrams of the II-VI pseudobinary alloys Hg(1 - x)Cd(x)Te, Hg(1 - x)Zn(x)Te, and Cd(1 - x)Zn(x)Te. The cluster energy is calculated by letting it relax in some effective alloy medium and then considering the contributions from the strain and chemical energies. Two different models are presented to simulate the alloy medium. While both models show that all three alloys have nearly random distributions, the signs of the local correlation prove to be sensitive to the alloy medium chosen for the energy calculation. Good agreement is found between experiment and the bond lengths and phase diagrams in both models.

Patrick, R. S.

Coherent potential theory of a random binary alloy Effects of scattering from two-sites clusters and off-diagonal randomness

Extension of the single-site coherent potential approximation for random binary alloys to include the effect of off-diagonal randomness and pair scattering. This extension is achieved by analyzing a one-band model of a random binary alloy in terms of a two-sites coherent potential approximation. Numerical results are presented for a number of different alloys. In the overlapping-band case, the presence of off-diagonal randomness is shown to modify the bandwidths to values larger than those obtained from the virtual-crystal approximation. A simple iterative procedure is described for overcoming the convergence difficulties in the split-band case. In this limit, the inclusion of pair scattering and off-diagonal randomness is found to lead to the appearance of structure in the density of states of the minority component band.

Moorjani, K.

Hot tensile tests of Inconel 718

The physical metallurgy of near-solidus integranular cracking in Inconel 718 welds was investigated. The data, although inconclusive, suggest at least two mechanisms which might explain intergranular cracking (microfissuring) in the heat-affected zone of several high temperature alloys. One theory is based on the separation of intergranular liquid while the other involves mechanical failure of solid ligaments surrounded by intergranular liquid. Both mechanisms concentrate strain in the grain boundaries resulting in low strain (1%) intergranular brittleness. The mechanisms reported might also pertain to the physical metallurgy of casting, powder metallurgy sintering and hot isostatic pressing.

Source record

Modeling of mechanical properties of II-VI materials

This paper reviews some new developments in the theory of alloy correlations, order-disorder transitions, and solidus phase-transition curves. It is argued that semiconductor alloys are never truly random, and the various phenomena that drive deviations from random arrangements are introduced. Likely consequences of correlations on the ability to fine-tune the lattice match of epitaxial layers to substrates, on vacancy formation, on diffusion, and on vapor-phase crystal growth are discussed. Examples are chosen for the alloys Hg(1-x)Cd(x)Te, Hg(1-x)Zn(x)Te, Cd(1-y)Zn(y)Te, and CdSe(1-y)Te(y).

Sher, A.

Data and Modeling of Dendrites Subject to A Step Change in Pressure (TDSE)

There is considerable interest in dendritic solidification because of the influence dendrites have in the determination of microstructure, and thereby in the physical properties of cast metals and alloys. Current theories and models of dendritic growth generally couple diffusion effects in the melt with the physics of the interface. Data and subsequent analysis prior of the tip growth speed and radii of thermal succinonitrile dendrites in the near-convection free, on-orbit, free-fall environment demonstrate that these theories yield predictions that are reasonably in agreement with the results of experiment. However, data and analysis for assessing the interfacial physics component of theory are not sufficiently detailed or definitive. To study fundamental aspects of dendritic interface stability, we are measuring and modeling the kinetics and morphology of dendrites as they evolve from one well-defined steady state at a pre-set supercooling, through a transient stage, to a different well-defined steady state. More specifically, we subject succinonitrile dendrites, growing under steady-state conditions, to a rapid change in pressure. This leads to a rapid change in thermal driving force from the corresponding change in both the equilibrium melting temperature due to the Clapeyron effect, and a change in the far-field temperature due to adiabatic temperature changes in the bulk liquid and solid. Subsequently, we observe transformations from a well-characterized initial state into a new steady-state. Initial data reveal that the dendrite tip velocity changes almost as fast as the pressure charges, while the tip radius changes occur more slowly, taking from 10 60 seconds depending on the size of the step change and the final supercooling. Computer modeling of this process shows both agreements and disagreements with the experimental data. In making these observations and measurements, we are gaining new understandings of interfacial dynamics and state-selection physics.

Koss, Matthew B.

Deformation and fatigue behavior of SSME turbopump blade materials

Directionally solidified and single crystal superalloys which are intended for use as turbopump blade materials are anisotropic both elastically and plastically. Therefore, isotropic constitutive models must be modified. Several models which are now being developed are based on metallurgical theories of deformation in these types of alloys. However, these theories have not been fully justified, and the temperature and strain regimes over which they may be valid are poorly defined. The objective of this work is to study the deformation behavior of the alloys, in order to determine the validity of these models and to thereby support the ongoing research efforts in solid mechanics.

Milligan, Walter W.