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NASA NTRS1989

Ginzburg-Landau theory for the solid-liquid interface of bcc elements. II - Application to the classical one-component plasma, the Wigner crystal, and He-4

The previously developed Ginzburg-Landau theory for calculating the crystal-melt interfacial tension of bcc elements to treat the classical one-component plasma (OCP), the charged fermion system, and the Bose crystal. For the OCP, a direct application of the theory of Shih et al. (1987) yields for the surface tension 0.0012(Z-squared e-squared/a-cubed), where Ze is the ionic charge and a is the radius of the ionic sphere. Bose crystal-melt interface is treated by a quantum extension of the classical density-functional theory, using the Feynman formalism to estimate the relevant correlation functions. The theory is applied to the metastable He-4 solid-superfluid interface at T = 0, with a resulting surface tension of 0.085 erg/sq cm, in reasonable agreement with the value extrapolated from the measured surface tension of the bcc solid in the range 1.46-1.76 K. These results suggest that the density-functional approach is a satisfactory mean-field theory for estimating the equilibrium properties of liquid-solid interfaces, given knowledge of the uniform phases.

Zeng, X. C.↗

NASA NTRS1974

Observations on the deformation-induced beta internal friction peak in bcc metals

During a study of the effects of electron irradiation on the tungsten alpha mechanism, internal friction data were obtained. The data indicate that the mechanism underlying the beta peak does not possess the relaxation parameters generally associated with a simple dislocation process. The significance of the experimental results in the light of beta observations in other metals is discussed. It is suggested that the beta peaks in deformed bcc metals are the anelastic result of the thermally-activated relaxation of deformation-induced imperfections.

Dicarlo, J. A.↗

NASA NTRS1980

Critical currents in A-15 structure Nb3Al converted from cold-worked bcc structure

The paper considers critical currents in A-15 structure Nb3Al converted from a cold-worked bcc structure. Nb3Al prepared in the ductile phase by quenching and mechanical working followed by conversion to the A-15 structure could carry currents above 10 to the 9th power A/sq m in fields near 20 T. These critical currents are comparable to those of Nb3Ge and V3Ga which are closest competing materials for use in high fields; further enhancement of the critical current is possible if thermal treatments are optimized.

Woollam, J. A.↗

NASA NTRS1987

Ginzburg-Landau theory for the solid-liquid interface of bcc elements

Consideration is given to a simple order-parameter theory for the interfacial tension of body-centered-cubic solids in which the principal order parameter is the amplitude of the density wave at the smallest nonzero reciprocal-lattice vector of the solid. The parameters included in the theory are fitted to the measured heat of fusion, melting temperature, and solid-liquid density difference, and to the liquid structure factor and its temperature derivative at freezing. Good agreement is found with experiment for Na and Fe and the calculated anisotropy of the surface tension among different crystal faces is of the order of 2 percent. On the basis of various assumptions about the universal behavior of bcc crystals at melting, the formalism predicts that the surface tension is proportional to the heat of fusion per surface atom.

Shih, W. H.↗

NASA NTRS1991

Heats of formation of bcc binary alloys

The method of Bozzolo, Ferrante and Smith is applied for the calculation of alloy energies for bcc elements. The heat of formation of several alloys is computed with the help of the Connolly-Williams method within the tetrahedron approximation. The dependence of the results on the choice of different sets of ordered structures is discussed.

Bozzolo, Guillermo↗

NASA NTRS1992

Heats of formation of bcc binary alloys

Bozzolo, Guillermo↗

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 NTRS2003

Heats of Segregation of BCC Binaries from Ab Initio and Quantum Approximate Calculations

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy methods. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameters. Quantum approximate segregation energies are computed with and without atomistic relaxation. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with full-potential quantum calculations and with available experimental results.

Good, Brian S.↗

NASA NTRS2004

Heats of Segregation of BCC Binaries from ab Initio and Quantum Approximate Calculations

We compare dilute-limit heats of segregation for selected BCC transition metal binaries computed using ab initio and quantum approximate energy methods. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent LMTO-based parameters. Quantum approximate segregation energies are computed with and without atomistic relaxation, while the ab initio calculations are performed without relaxation. Results are discussed within the context of a segregation model driven by strain and bond-breaking effects. We compare our results with full-potential quantum calculations and with available experimental results.

Good, Brian S.↗

NASA NTRS2003

Surface Segregation Energies of BCC Binaries from Ab Initio and Quantum Approximate Calculations

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy method. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameterization. Quantum approximate segregation energies are computed with and without atomistic relaxation. The ab initio calculations are performed without relaxation for the most part, but predicted relaxations from quantum approximate calculations are used in selected cases to compute approximate relaxed ab initio segregation energies. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with other quantum approximate and ab initio theoretical work, and available experimental results.

Good, Brian S.↗

NASA NTRS2003

Heats of Segregation of BCC Metals Using Ab Initio and Quantum Approximate Methods

Many multicomponent alloys exhibit surface segregation, in which the composition at or near a surface may be substantially different from that of the bulk. A number of phenomenological explanations for this tendency have been suggested, involving, among other things, differences among the components' surface energies, molar volumes, and heats of solution. From a theoretical standpoint, the complexity of the problem has precluded a simple, unified explanation, thus preventing the development of computational tools that would enable the identification of the driving mechanisms for segregation. In that context, we investigate the problem of surface segregation in a variety of bcc metal alloys by computing dilute-limit heats of segregation using both the quantum-approximate energy method of Bozzolo, Ferrante and Smith (BFS), and all-electron density functional theory. In addition, the composition dependence of the heats of segregation is investigated using a BFS-based Monte Carlo procedure, and, for selected cases of interest, density functional calculations. Results are discussed in the context of a simple picture that describes segregation behavior as the result of a competition between size mismatch and alloying effects

Good, Brian↗

NASA NTRS2002

Heats of Segregation and Segregation Profiles of BCC Metals

The composition of metal alloy surfaces is often different from that of the bulk. Some alloys exhibit surface segregation, where one or more species reside preferentially at or near the surface. A detailed understanding of this behavior is necessary to correctly model such phenomena as adhesion or catalysis. Several phenomenological approaches to the problem have been put forward, falling into two broad categories: Thermodynamic approaches, where the equilibrium distribution of chemical species is computed. Atomistic approaches, where the tendency of a species to segregate is determined by computation of the energies of single atoms of that species in bulk and surface environments.

Good, Brian S.↗

NASA NTRS2010

Operating and Managing a Backup Control Center

Due to the criticality of continuous mission operations, some control centers must plan for alternate locations in the event an emergency shuts down the primary control center. Johnson Space Center (JSC) in Houston, Texas is the Mission Control Center (MCC) for the International Space Station (ISS). Due to Houston s proximity to the Gulf of Mexico, JSC is prone to threats from hurricanes which could cause flooding, wind damage, and electrical outages to the buildings supporting the MCC. Marshall Space Flight Center (MSFC) has the capability to be the Backup Control Center for the ISS if the situation is needed. While the MSFC Huntsville Operations Support Center (HOSC) does house the BCC, the prime customer and operator of the ISS is still the JSC flight operations team. To satisfy the customer and maintain continuous mission operations, the BCC has critical infrastructure that hosts ISS ground systems and flight operations equipment that mirrors the prime mission control facility. However, a complete duplicate of Mission Control Center in another remote location is very expensive to recreate. The HOSC has infrastructure and services that MCC utilized for its backup control center to reduce the costs of a somewhat redundant service. While labor talents are equivalent, experiences are not. Certain operations are maintained in a redundant mode, while others are simply maintained as single string with adequate sparing levels of equipment. Personnel at the BCC facility must be trained and certified to an adequate level on primary MCC systems. Negotiations with the customer were done to match requirements with existing capabilities, and to prioritize resources for appropriate level of service. Because some of these systems are shared, an activation of the backup control center will cause a suspension of scheduled HOSC activities that may share resources needed by the BCC. For example, the MCC is monitoring a hurricane in the Gulf of Mexico. As the threat to MCC increases, HOSC must begin a phased activation of the BCC, while working resource conflicts with normal HOSC activities. In a long duration outage to the MCC, this could cause serious impacts to the BCC host facility s primary mission support activities. This management of a BCC is worked based on customer expectations and negotiations done before emergencies occur. I.

Marsh, Angela L.↗

NASA NTRS1987

Crystallization behavior of a melt-spun Fe-Ni based steel

Whether Fe-Ni-based alloys solidify with a bcc or fcc structure has been observed by many investigators to be a stronger function of kinetics and undercooling than strictly free-energy minimization. Such behavior has been observed in an Fe(52.8)Ni(28.7)Al(3.4)Ti(6.1)B(9.0) alloy. The alloy was cast as ribbons about 45 microns thick using a dual free-jet variation of chillbock melt spinning against a Cu wheel. Optical, X-ray, and electron analyses of the as-cast and annealed ribbons were performed. A microstructure of at least four layers containing combinations of ecc, bcc, and amorphous phases in differing proportions was observed in the as-cast ribbon. The midthickness layer had the most unusual features, containing fcc grains about 75 nm in size encompassing spherulitic regions as large as 15 microns comprised of fcc grains about 25 nm in size. The crystallization sequence responsible for the as-cast microstructure is discussed in terms of the competition between the formation of bcc and fcc phases as influenced by undercooling, recalescence, and variations in cooling rate experienced by the as-cast ribbon.

Michal, G. M.↗

NASA NTRS2003

Significance of Strain in Formulation in Theory of Solid Mechanics

The basic theory of solid mechanics was deemed complete circa 1860 when St. Venant provided the strain formulation or the field compatibility condition. The strain formulation was incomplete. The missing portion has been formulated and identified as the boundary compatibility condition (BCC). The BCC, derived through a variational formulation, has been verified through integral theorem and solution of problems. The BCC, unlike the field counterpart, do not trivialize when expressed in displacements. Navier s method and the stiffness formulation have to account for the extra conditions especially at the inter-element boundaries in a finite element model. Completion of the strain formulation has led to the revival of the direct force calculation methods: the Integrated Force Method (IFM) and its dual (IFMD) for finite element analysis, and the completed Beltrami-Michell formulation (CBMF) in elasticity. The benefits from the new methods in elasticity, in finite element analysis, and in design optimization are discussed. Existing solutions and computer codes may have to be adjusted for the compliance of the new conditions. Complacency because the discipline is over a century old and computer codes have been developed for half a century can lead to stagnation of the discipline.

Patnaik, Surya N.↗

NASA NTRS2024

Improved Mechanical Performance in FDM Cellular Frame Structures through Partial Incorporation of Faces

The utilization of lattice-type cellular architectures has seen a significant increase, owing to their predictable shape and the ability to fabricate templated porous materials through low-cost 3D-printing methods. Frames based on atomic lattice structures such as face-centered cubic (FCC), body-centered cubic (BCC), or simple cubic (SC) have been utilized. In FDM, the mechanical performance has been impeded by stress concentration at the nodes and melt-solidification interfaces arising from layer-by-layer deposition. Adding plates to the frames has resulted in improvements with a concurrent increase in weight and hot-pocket-induced dimensional impact in the closed cells formed. In this paper, we explore compressive performance from the partial addition of plates to the frames of a SC-BCC lattice. Compression testing of both single unit cells and 4 × 4 × 4 lattices in all three axial directions is conducted to examine stress transfer to the nearest neighbor and assess scale-up stress transfer. Our findings reveal that hybrid lattice structure unit cells exhibit significantly improved modulus in the range of 125% to 393%, specific modulus in the range of 13% to 120%, and energy absorption in the range of 17% to 395% over the open lattice. The scaled-up lattice modulus increased by 8% to 400%, specific modulus by 2% to 107%, and energy absorption by 37% to 553% over the lattice frame. Parameters that emerged as key to improved lightweighting.

FDM↗

NASA NTRS1975

Four-particle exchange in solid He-3

Calculations are reported which suggest that there is a physically important four-atom exchange process in bcc He-3 and an important four-spin term in the exchange Hamiltonian. A simple mean-field analysis of this Hamiltonian appears to account for a number of the perplexing properties of bcc He-3. An understanding of other properties may require treatment of the exact four-spin term.

Mcmahan, A. K.↗

NASA NTRS1978

Chemical vapor deposition of high T sub c superconductors

The results are reported of an investigation into the synthesis and properties of high temperature superconducting materials. A chemical vapor deposition apparatus was designed and built which is suitable for the preparation of multicomponent metal films This apparatus was used to prepare a series of high T sub c A-15 structure superconducting films in the binary system Nb-Ge. The effect on T sub c of a variety of substrate materials was investigated. An extensive series of ternary alloys were also prepared. Conditions allowing the brittle high T sub c (approximately 18 K) A-15 structure superconductor Nb3A1 to be prepared in a low T sub c but ductile form were found. Some of the ways that the ductile (bcc) form can be cold worked or machined are described. Measurements of rate of transformation of cold worked bcc material to the high T sub c A-15 structure with low temperature annealing are given. Preliminary measurements indicate that this material has attractive high field critical current densities.

Webb, G. W.↗