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Articles 91 - 120 of 160

Full-Text Articles in Physics

Universal Aspects Of Vacancy-Mediated Disordering Dynamics: The Effect Of External Fields, Wannapong Triampo, Timo Aspelmeier, Beate Schmittmann Mar 2000

Universal Aspects Of Vacancy-Mediated Disordering Dynamics: The Effect Of External Fields, Wannapong Triampo, Timo Aspelmeier, Beate Schmittmann

Beate Schmittmann

We investigate the disordering of an initially phase-segregated binary alloy, due to a highly mobile defect which couples to an electric or gravitational field. Using both mean-field and Monte Carlo methods, we show that the late stages of this process exhibit dynamic scaling, characterized by a set of exponents and scaling functions. A new scaling variable emerges, associated with the field. While the scaling functions carry information about the field and the boundary conditions, the exponents are universal. They can be computed analytically, in excellent agreement with simulation results.


Field-Induced Vacancy Localization In A Driven Lattice Gas: Scaling Of Steady States, M. Thies, Beate Schmittmann Jan 2000

Field-Induced Vacancy Localization In A Driven Lattice Gas: Scaling Of Steady States, M. Thies, Beate Schmittmann

Beate Schmittmann

With the help of Monte Carlo simulations and a mean-field theory, we investigate the ordered steady-state structures resulting from the motion of a single vacancy on a periodic lattice which is filled with two species of oppositely “charged” particles. An external field biases particle-vacancy exchanges according to the particle’s charge, subject to an excluded volume constraint. The steady state exhibits charge segregation, and the vacancy is localized at one of the two characteristic interfaces. Charge and hole density profiles, an appropriate order parameter, and the interfacial regions themselves exhibit characteristic scaling properties with system size and field strength. The lattice …


Behavior Of Grain Boundary Resistivity In Metals Predicted By A Two-Dimensional Model, Rand Dannenberg, Alexander H. King Jan 2000

Behavior Of Grain Boundary Resistivity In Metals Predicted By A Two-Dimensional Model, Rand Dannenberg, Alexander H. King

Alexander H. King

The behavior of a model for the specific grain boundary resistivity in metallic bamboo conductor lines is developed and compared to other theoretical treatments, and to experiment. The grain boundary is modeled as an array of scatterers on a plane. The scatterers are called “vacancy-ion” complexes, in which the vacancy represents the boundary free volume, and the ion is an atom adjacent to the vacancy. Three cases are investigated, that of noninterfering scatterers, a continuum of interfering scatterers, and discrete interfering scatterers. The approximations used lead to a specific grain boundary resistivity ∼10−16 Ω m2 for aluminum, in agreement with …


Solution To The Evolution Equation For High Parton Density Qcd, E. Levin, Kirill Tuchin Jan 2000

Solution To The Evolution Equation For High Parton Density Qcd, E. Levin, Kirill Tuchin

Kirill Tuchin

In this paper a solution is given to the non-linear equation which describes the evolution of the parton cascade in the case of the high parton density. The related physics is discussed as well as some applications to heavy ion - ion collisions.


Shadowing Corrections And Diffractive Production In Dis On Nuclei, E. Gotsman, E Levin, M. Lublinsky, U. Maor, Kirill Tuchin Jan 2000

Shadowing Corrections And Diffractive Production In Dis On Nuclei, E. Gotsman, E Levin, M. Lublinsky, U. Maor, Kirill Tuchin

Kirill Tuchin

We calculate, in the Glauber–Mueller approach, the ratio of the diffractive dissociation cross section to the total cross section for nuclei. We observe that shadowing corrections (SC) in the calculated ratio are significant, but they do not lead to a smooth energy dependence of the ratio for a proton target as was observed at HERA.


Novel One-Phase Synthesis Of Thiol-Functionalized Gold, Palladium, And Iridium Nanoparticles Using Superhydride, Chanel K. Yee, Rainer Jordan, Abraham Ulman, Henry White, Alexander H. King, Miriam Rafailovich, Jonathan Sokolov May 1999

Novel One-Phase Synthesis Of Thiol-Functionalized Gold, Palladium, And Iridium Nanoparticles Using Superhydride, Chanel K. Yee, Rainer Jordan, Abraham Ulman, Henry White, Alexander H. King, Miriam Rafailovich, Jonathan Sokolov

Alexander H. King

A new, facile, general one-phase synthesis for thiol-functionalized gold, palladium, and iridium nanoparticles, using tetrahydrofuran (THF) as the solvent and lithium triethylborohydride (Superhydride) as the reducing agent, is presented. For octadecanethiol-functionalized gold (Au/ODT) nanoparticles, HRTEM of drop-cast particle-films revealed the formation of spherical particles of d = 4 ± 0.3 nm average size. Electron diffraction shows fcc packing arrangement, similar to that of bulk gold. The crystalline gold cores are surrounded with closely packed n-alkyl chains mainly in an all-trans conformation, adopting orthorhombic packing as confirmed by FTIR spectroscopy. Particles are arranged in a discrete solidlike assembly with a correlation …


Incommensurate And Commensurate Antiferromagnetic Spin Fluctuations In Cr And Cr Alloys From Ab Initio Dynamical Spin Susceptibility Calculations, Duane D. Johnson, J. Pulter, B. Ginatempo, E. Bruno, J. B. Staunton Apr 1999

Incommensurate And Commensurate Antiferromagnetic Spin Fluctuations In Cr And Cr Alloys From Ab Initio Dynamical Spin Susceptibility Calculations, Duane D. Johnson, J. Pulter, B. Ginatempo, E. Bruno, J. B. Staunton

Duane D. Johnson

A scheme for making ab initio calculations of the dynamic paramagnetic spin susceptibilities of solids at finite temperatures is described. It is based on time-dependent density functional theory and employs an electronic multiple scattering formalism. Incommensurate and commensurate antiferromagnetic spin fluctuations in paramagnetic Cr and compositionally disordered Cr95V5 and Cr95Re5 alloys are studied together with the connection with the nesting of their Fermi surfaces. We find that the spin fluctuations can be described rather simply in terms of an overdamped oscillator model. Good agreement with inelastic neutron scattering data is obtained.


Resistivity, Thermopower And The Correlation To Infrared Active Vibrations Of Mn1.56co0.96ni0.48o4 Spinel Films Sputtered In An Oxygen Partial Pressure Series, Rand Dannenberg, S. Baliga, R. J. Gambino, Alexander H. King, A. P. Doctor Jan 1999

Resistivity, Thermopower And The Correlation To Infrared Active Vibrations Of Mn1.56co0.96ni0.48o4 Spinel Films Sputtered In An Oxygen Partial Pressure Series, Rand Dannenberg, S. Baliga, R. J. Gambino, Alexander H. King, A. P. Doctor

Alexander H. King

Mn1.56Co0.96Ni0.48O4 spinel was sputter deposited using a series of oxygen partial pressures. Electrical resistivity versus temperature and thermopower versus temperature measurements at each oxygen partial pressure were made. The variations of the thermopower and resistivity with oxygen partial pressure are consistent with a change in the ratio of Mn3+ to Mn4+ cations, which occurs due to changes of oxygen content of the material. The weak temperature dependence of the thermopower indicates small polaron hopping is the charge transport mechanism. Combining the models of Mott and Schnakenberg to analyze the transport data, we find that the Debye temperature (or frequency) is …


On Black Hole Horizon Fluctuations, Kirill Tuchin Jan 1999

On Black Hole Horizon Fluctuations, Kirill Tuchin

Kirill Tuchin

A study of the high angular momentum particles ‘atmosphere’ near the Schwarzschild black hole horizon suggested that strong gravitational interactions occur at invariant distance of the order of 3√M [2]. We present a generalization of this result to the Kerr-Newman black hole case. It is shown that the larger charge and angular momentum black hole bears, the larger invariant distance at which strong gravitational interactions occur becomes. This invariant distance is of order 3√r+2(r+ − r−). This implies that the Planckian structure of the Hawking radiation of extreme black holes is completely broken.


Infrared Optical Properties Of Mn1.56co0.96ni0.48o4 Spinel Films Sputter Deposited In An Oxygen Partial Pressure Series, Rand Dannenberg, S. Baliga, R. J. Gambino, Alexander H. King, A. P. Doctor Jan 1999

Infrared Optical Properties Of Mn1.56co0.96ni0.48o4 Spinel Films Sputter Deposited In An Oxygen Partial Pressure Series, Rand Dannenberg, S. Baliga, R. J. Gambino, Alexander H. King, A. P. Doctor

Alexander H. King

Mn1.56Co0.96Ni0.48O4 spinel films were sputter deposited onto silicon substrates using a series of oxygen partial pressures. Fourier transform infrared transmission and reflectance, and Raman scattering measurements were made. The 1–25 μm wavelength range was examined using these optical techniques. The complex index of refraction was calculated for this entire wavelength range. Infrared active vibrations were analyzed using multiple oscillator analysis, Kramers–Kronig analysis, and derivative reflectance spectroscopy. The Raman and infrared active lattice vibrations were observed to shift with increasing oxygen partial pressure during film deposition, and were consistent with the earlier published shift in Debye frequency calculated from resistivity data. …


Charge-Correlation Effects In Calculations Of Atomic Short-Range Order In Metallic Alloys, F. J. Pinksi, J. B. Staunton, Duane D. Johnson Jun 1998

Charge-Correlation Effects In Calculations Of Atomic Short-Range Order In Metallic Alloys, F. J. Pinksi, J. B. Staunton, Duane D. Johnson

Duane D. Johnson

The “local” chemical environment that surrounds an atom directly influences its electronic charge density. These atomic charge correlations play an important role in describing the Coulomb and total energies for random substitutional alloys. Although the electronic structure may be well represented by a single-site theory, such as the coherent potential approximation, the electrostatic energy is not as well represented when these charge correlations are ignored. For metals, including the average effect from the charge correlation coming from only the nearest-neighbor shell has been shown to be sufficient to determine accurately the energy of formation. In this paper, we incorporate such …


Structure Factors And Their Distributions In Driven Two-Species Models, G. Korniss, Beate Schmittmann Oct 1997

Structure Factors And Their Distributions In Driven Two-Species Models, G. Korniss, Beate Schmittmann

Beate Schmittmann

We study spatial correlations and structure factors in a three-state stochastic lattice gas, consisting of holes and two oppositely “charged” species of particles, subject to an “electric” field at zero total charge. The dynamics consists of two nearest-neighbor exchange processes, occurring on different times scales, namely, particle-hole and particle-particle exchanges. Using both Langevin equations and Monte Carlo simulations, we study the steady-state structure factors and correlation functions in the disordered phase, where density profiles are homogeneous. In contrast to equilibrium systems, the average structure factors here show a discontinuity singularity at the origin. The associated spatial correlation functions exhibit intricate …


Segregation Of Bismuth To Triple Junctions In Copper, K.-M. Yin, Alexander H. King, T.E. Hsieh, F.-R. Chen, J.J. Kai, L. Chang Sep 1997

Segregation Of Bismuth To Triple Junctions In Copper, K.-M. Yin, Alexander H. King, T.E. Hsieh, F.-R. Chen, J.J. Kai, L. Chang

Alexander H. King

Bismuth segregation in copper has been studied using energy-dispersive X-ray spectrometry (EDX) in a JEOL 2010F transmission electron microscope. In addition to the expected solute enrichment at grain boundaries, we have observed extremely high concentrations of bismuth at certain triple junctions, with significantly greater enrichment factors than in the adjacent grain boundaries. It is shown here that the triple junction segregation is a function of the parameters of the grain boundaries at the triple line, and existence of this type of segregation implies that the affected triple junctions embody excess free energy. At least one of the observed triple junctions …


Vibrational Spectra In Ordered And Disordered Ni3al, Jeffrey D. Althoff, Dane Morgan, Didier De Fontaine, Mark Asta, S. M. Foiles, Duane D. Johnson Sep 1997

Vibrational Spectra In Ordered And Disordered Ni3al, Jeffrey D. Althoff, Dane Morgan, Didier De Fontaine, Mark Asta, S. M. Foiles, Duane D. Johnson

Duane D. Johnson

We calculate the vibrational density of states (DOS) and corresponding thermodynamic properties of L12 ordered and disordered Ni3Al in the quasiharmonic approximation using the embedded-atom method. Vibrational and thermodynamic properties, including vibrational entropy differences between ordered and disordered states, are found to be in good agreement with experiment. The DOS of the configurationally disordered alloy resembles a broadened version of the DOS of the L12 phase, not a one-atom per cell fcc DOS, and is shifted downward in frequency because the disordered state has a larger volume than the ordered phase. Calculations of the projected DOS indicate that high-frequency modes …


Experimental And Theoretical Investigations Of Order-Disorder In Cu2almn, Duane D. Johnson, M. Asta, J. J. Hoyt, B. C. Chakoumakos, S. T. Misture, J. D. Althoff, R. Mccormack May 1997

Experimental And Theoretical Investigations Of Order-Disorder In Cu2almn, Duane D. Johnson, M. Asta, J. J. Hoyt, B. C. Chakoumakos, S. T. Misture, J. D. Althoff, R. Mccormack

Duane D. Johnson

A combination of X-ray and neutron powder diffraction has been used to measure the two long range order parameters vs. temperature below the disorder-B2 transition in the ternary alloy Cu2 AlMn. The results indicate that at temperatures just below the critical point the Al + Mn sublattice is enriched in Al. First-principles calculations based on only the atomic numbers of Cu, Mn and Al support the experimentally-observed preference of Al for the Al + Mn sublattice, and reveal the interplay between the constituent binary systems that gives rise to this behavior.


Frozen Disorder In A Driven System, Beate Schmittmann, K. E. Bassler Oct 1996

Frozen Disorder In A Driven System, Beate Schmittmann, K. E. Bassler

Beate Schmittmann

We investigate the effects of quenched disorder on the universal properties of a randomly driven Ising lattice gas. The Hamiltonian fixed point of the pure system becomes unstable in the presence of a quenched local bias, giving rise to a new fixed point which controls a novel universality class. We determine the associated scaling forms of correlation and response functions, quoting critical exponents to two-loop order in an expansion around the upper critical dimension dc=5.


Phase Transitions In Driven Bilayer Systems: A Monte Carlo Study, C. C. Hill, R. K. P. Zia, Beate Schmittmann Jul 1996

Phase Transitions In Driven Bilayer Systems: A Monte Carlo Study, C. C. Hill, R. K. P. Zia, Beate Schmittmann

Beate Schmittmann

We investigate the phase diagram of a system with two layers of an Ising lattice gas at half filling. In addition to the usual intralayer nearest neighbor attractive interaction, there is an interlayer potential J. Under equilibrium conditions, the phase diagram is symmetric under J→−J, though the ground states are different. The effects of imposing a uniform external drive, studied by simulation techniques, are dramatic. The mechanisms responsible for such behavior are discussed.


Построение Редуцированного Физического Гамильтониана Для Сферически-Симметричной Гравитации, Николай Заркевич Jun 1996

Построение Редуцированного Физического Гамильтониана Для Сферически-Симметричной Гравитации, Николай Заркевич

Nikolai A. Zarkevich

No abstract provided.


Electronic Origins Of Ordering In Multicomponent Metallic Alloys: Application To The Cu-Ni-Zn System, J. D. Althoff, Duane D. Johnson, F. J. Pinski, J. B. Staunton Apr 1996

Electronic Origins Of Ordering In Multicomponent Metallic Alloys: Application To The Cu-Ni-Zn System, J. D. Althoff, Duane D. Johnson, F. J. Pinski, J. B. Staunton

Duane D. Johnson

We investigate the ordering tendencies of the fcc Cu-Ni-Zn system using a recently developed first-principles, density-functional-based theory of atomic short-range order (ASRO) in disordered substitutional alloys of an arbitrary number of components. We find for the binary alloys a variety of effects which should lead to competition in the ternaries: commensurate ordering (Ni-Zn), long-period ordering (Cu-rich Cu-Zn), and clustering (Cu-Ni), in agreement with experiment. We calculate the ASRO of various disordered ternary alloys (as described by the Warren-Cowley pair-correlation function) and discuss its relationship to the electronic structure of the binary and ternary disordered alloys. We find [100]-type ASRO over …


Synthesis And Characterization Of A New Class Of Μ3-Oh-Bridged Trimers That Contain Octahedrally Coordinated Divalent Metal Ions Bridged By Three Acetate Ligands And A Unique Catecholate Ligand. Solid State Molecular Structures Of The [(Py)5mii3(Oac)3(Μ3-Oh)((Cat)] Complexes (M = Mn(Ii), Fe(Ii), Co(Ii), Ni(Ii)), R.A. Reynolds, Edward Yu, W.R. Dunham, D. Coucouvanis Jan 1996

Synthesis And Characterization Of A New Class Of Μ3-Oh-Bridged Trimers That Contain Octahedrally Coordinated Divalent Metal Ions Bridged By Three Acetate Ligands And A Unique Catecholate Ligand. Solid State Molecular Structures Of The [(Py)5mii3(Oac)3(Μ3-Oh)((Cat)] Complexes (M = Mn(Ii), Fe(Ii), Co(Ii), Ni(Ii)), R.A. Reynolds, Edward Yu, W.R. Dunham, D. Coucouvanis

Edward Yu

The synthesis and structural characterization of a new class of “basic” trinuclear acetate clusters with solely divalent metal ions and a central μ3-OH ligand are reported. These molecules with the [(py)5MII3(OAc)3(μ3-OH)(cat)] stoichiometry (M = Mn, Fe, Co, Ni) are X-ray isomorphous and isostructural and contain octahedrally coordinated metal ions. The core consists of an antiferromagnetically coupled M3 unit with the metals arranged in the corners of an isosceles triangle. Two of the M−M distances vary between 2.98 and 3.16 Å, and the longer M−M distance is observed between 3.65 and 3.76 Å. As expected from the relative ionic radius lengths, …


Origin Of The 〈11/20〉 Atomic Short-Range Order In Au-Rich Au-Fe Alloys, M. F. Ling, J. B. Staunton, Duane D. Johnson, F. J. Pinski Aug 1995

Origin Of The 〈11/20〉 Atomic Short-Range Order In Au-Rich Au-Fe Alloys, M. F. Ling, J. B. Staunton, Duane D. Johnson, F. J. Pinski

Duane D. Johnson

We have calculated the atomic short-range order (ASRO) and paramagnetic susceptibility in high-temperature, chemically disordered Au75Fe25 and Au90Fe10, using a density-functional-based, electronic-structure method. For both alloys, we obtain 〈11/20〉-type ASRO, in excellent agreement with experiments performed on samples that have been fast quenched from high temperature. We also identify the underlying electronic mechanism responsible for this unusual ordering behavior. During annealing at high temperatures, we suggest that aligning local moments via an external magnetic field will produce interesting AuFe alloys with 〈100〉-type ASRO.


Van Hove Singularity Induced L11 Ordering In Cupt, J. F. Clark, F. J. Pinski, Duane D. Johnson, P. A. Sterne, J. B. Staunton, B. Ginatempo Apr 1995

Van Hove Singularity Induced L11 Ordering In Cupt, J. F. Clark, F. J. Pinski, Duane D. Johnson, P. A. Sterne, J. B. Staunton, B. Ginatempo

Duane D. Johnson

We describe an ordering mechanism that arises due to coupling between electronic states at van Hove singularities. This novel mechanism, which naturally leads to ordered structures with small unit cells, couples states near the Fermi energy which are localized at high-symmetry points in k space, in contrast to the conventional mechanism which relies on large parallel sheets of Fermi surface. Using first-principles calculations of the electronic structure of ordered and disordered alloys, we show that this mechanism drives the unusual short- and long-range order found in fcc CuPt.


Commensurate And Incommensurate Ordering Tendencies In The Ternary Fcc Cu-Ni-Zn System, J. D. Althoff, Duane D. Johnson, F. J. Pinski Jan 1995

Commensurate And Incommensurate Ordering Tendencies In The Ternary Fcc Cu-Ni-Zn System, J. D. Althoff, Duane D. Johnson, F. J. Pinski

Duane D. Johnson

We show that Fermi-surface (FS) nesting drives both the incommensurate and commensurate ordering tendencies of the fcc ternary Cu-Ni-Zn system. Surprisingly, commensurate order persists over a wide range of composition, despite its origins. For Cu2NiZn, we discuss how FS nesting and the other effects of alloying lead to ordering tendencies consistent with the experimentally observed order-disorder transformations. All calculations are based on a first-principles theory of the atomic short-range order in alloys with an arbitrary number of components.


Absolute Integrated Cross Sections For Some O2 Herzberg I Transitions Near 248–249 Nm, Zhen-Chuan Bao, Edward Yu, John R. Baker Jan 1995

Absolute Integrated Cross Sections For Some O2 Herzberg I Transitions Near 248–249 Nm, Zhen-Chuan Bao, Edward Yu, John R. Baker

Edward Yu

A frequency doubled tunable dye laser system with ∼0.4 cm−1 resolution was used to measure the integrated absorption cross sections of more than 20 rotational transitions in the O2 Herzberg I (A  3Σ+ u ←X  3Σ− g ) 8‐0 and 9‐0 vibrational bands near 248 nm and 249 nm. Oxygen pressures from 200 to 800 Torr and path lengths from 5 to 25 m were employed. The measured absorbances were fitted using a nonlinear least squares analysis and Beer’s Law to obtain absolute values for the individual transition integrated cross sections in good agreement with a recent spectral simulation and …


Critical Dynamics Of Nonconserved Ising-Like Systems, K. E. Bassler, Beate Schmittmann Dec 1994

Critical Dynamics Of Nonconserved Ising-Like Systems, K. E. Bassler, Beate Schmittmann

Beate Schmittmann

We show that the dynamical fixed point of Ising-like models, characterized by a single scalar, nonconserved ordering field, is stable near four dimensions with respect to all dynamic perturbations, including those of a nonequilibrium nature.


Low‐Temperature Phase Diagram Of Ybbipt, R. Movshovich, A. Lacerda, Paul C. Canfield, J. D. Thompson, Z. Fisk Nov 1994

Low‐Temperature Phase Diagram Of Ybbipt, R. Movshovich, A. Lacerda, Paul C. Canfield, J. D. Thompson, Z. Fisk

Paul C. Canfield

Resistivity measurements are reported on the cubic heavy‐fermion compound YbBiPt at ambient and hydrostatic pressures to ≊19 kbar and in magnetic fields to 1 T. The phase transition at T c =0.4 K is identified by a sharp rise in resistivity. That feature is used to build low‐temperature H‐T and P‐Tphase diagrams. The phase boundary in the H‐T plane follows the weak‐coupling BCS expression remarkably well from T c to T c /4, while small hydrostatic pressure of ≊1 kbar suppresses the low‐temperature phase entirely. These effects of hydrostatic pressure and magnetic field on the phase transition are consistent with …


Spontaneous Structure Formation In Driven Systems With Two Species: Exact Solutions In A Mean-Field Theory, I. Vilfan, R. K. P. Zia, Beate Schmittmann Oct 1994

Spontaneous Structure Formation In Driven Systems With Two Species: Exact Solutions In A Mean-Field Theory, I. Vilfan, R. K. P. Zia, Beate Schmittmann

Beate Schmittmann

A stochastic lattice gas of particles, subject to an excluded volume constraint and to a uniform external driving field, is investigated. Using a mean-field theory for a system with equal number of oppositely charged particles, exact results are obtained. Focusing on the current-vs-density plot, we propose an explanation for the discontinuous transition found in earlier simulations. A critical value of the drive, below which this transition becomes continuous, is found. These results are supported by a bifurcation analysis, leading to an equation of motion for the amplitude of the soft mode.


Compositional Short-Range Ordering In Metallic Alloys: Band-Filling, Charge-Transfer, And Size Effects From A First-Principles All-Electron Landau-Type Theory, J. B. Staunton, Duane D. Johnson, F. J. Pinski Jul 1994

Compositional Short-Range Ordering In Metallic Alloys: Band-Filling, Charge-Transfer, And Size Effects From A First-Principles All-Electron Landau-Type Theory, J. B. Staunton, Duane D. Johnson, F. J. Pinski

Duane D. Johnson

Using a mean-field statistical description, we derive a general formalism to investigate atomic short-range order in alloys based on a density-functional description of the finite-temperature, grand potential of the random alloy. This ‘‘first-principles,’’ Landau-type approach attempts to treat several contributions (electronic structure, Fermi surface, electrostatics, magnetism, etc.) to the electronic energy on an equal footing. An important ingredient for the statistical averaging is the replacement of the molecular mean fields (Weiss fields) with Onsager cavity fields, which forces the diagonal part of the fluctuation-dissipation theorem to be obeyed. To show its general applicability and usefulness, we apply the theory to …


First-Principles All-Electron Theory Of Atomic Short-Range Ordering In Metallic Alloys: D022- Versus L12-Like Correlations, Duane D. Johnson, J. B. Staunton, F. J. Pinski Jul 1994

First-Principles All-Electron Theory Of Atomic Short-Range Ordering In Metallic Alloys: D022- Versus L12-Like Correlations, Duane D. Johnson, J. B. Staunton, F. J. Pinski

Duane D. Johnson

We use a ‘‘first-principles’’ concentration-wave approach based on a finite-temperature, electronic density-functional, mean-field, grand potential of the random alloy to investigate the high-temperature atomic short-range order (ASRO) in Ni75V25 and Pd75V25 solid solutions. Experimentally, these similar alloys both develop D022-type long-range order at low temperatures but different ASRO at high temperatures. Our calculations describe the measured ASRO well. We compare these results with those found for a hypothetical Co75Ti25 solid solution. Since this alloy orders directly from the melt into the L12 phase, it should exhibit strong L12-like ASRO, as we find in our calculations. We analyze the features in …


Surface-Induced Ordering In Asymmetric Block Copolymers, Y. Liu, W. Zhao, X. Zheng, Alexander H. King, A. Sing, M. H. Rafailovich, J. Sokolov, K. H. Dai, E. J. Kramer, S. A. Schwarz, O. Gebizlioglu, S. K. Sinha Jul 1994

Surface-Induced Ordering In Asymmetric Block Copolymers, Y. Liu, W. Zhao, X. Zheng, Alexander H. King, A. Sing, M. H. Rafailovich, J. Sokolov, K. H. Dai, E. J. Kramer, S. A. Schwarz, O. Gebizlioglu, S. K. Sinha

Alexander H. King

The surface-induced ordering in thin films of asymmetric deuterated polystyrene (dPS)- poly(viny1pyridine) (PVP) diblock and triblock copolymers of comparable polymerization index and PVP volume fraction - 0.25) was studied using transmission electron microscopy, atomic force microscopy, secondary ion massspectrometry, and neutron reflectivity. The morphology of both di- and triblock copolymer films was found to be cylindrical except for the layer adjacent to the silicon oxide surface, which due to the strong interaction of silica with PVP, was lamellar. The spacing between adjacent cylindrical layers was found to be consistent with mean field theory predictions. In the triblock copolymer films the …