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Posterminaries: After Nabarro, Alexander H. King Nov 2006

Posterminaries: After Nabarro, Alexander H. King

Alexander H. King

With the passing of Frank Nabarro in July of this year, we have lost one of the founding fathers of materials science. His name appears in many of the textbooks from which we train our students today, and also on the spines of several volumes on dislocation theory, including his classic monograph on the subject. He rightly stands among the gods of our field. Ninety years old at his death, he was a sprightly dancer at the frontiers of knowledge, right up to the end.


Phase Field Theory Of Surface- And Size-Induced Microstructures, Valery I. Levitas, D.W. Lee, D. L. Preston Oct 2006

Phase Field Theory Of Surface- And Size-Induced Microstructures, Valery I. Levitas, D.W. Lee, D. L. Preston

Valery I. Levitas

New surface- and size-induced microstructures are found as analytic solutions to a phase field theory of first-order phase transformations. A recently developed exact stability criterion, based on most destabilizing fluctuations, is used to analyze the stability and physical interpretation of each microstructure. Conditions for barrierless surface nucleation, i.e. relationship between surface energy, driving force for the transformation and sample size, are found. If they are met, some of these microstructures are destroyed resulting in the barrierless transformation to alternative phases.


Sum Frequency Generation Vibrational Spectroscopic And High-Pressure Scanning Tunneling Microscopic Studies Of Benzene Hydrogenation On Pt(111), Kaitlin M. Bratlie, Max O. Montano, Lucio D. Flores, Matti Paajanen, Gabor A. Somorjai Oct 2006

Sum Frequency Generation Vibrational Spectroscopic And High-Pressure Scanning Tunneling Microscopic Studies Of Benzene Hydrogenation On Pt(111), Kaitlin M. Bratlie, Max O. Montano, Lucio D. Flores, Matti Paajanen, Gabor A. Somorjai

Kaitlin M. Bratlie

Sum frequency generation (SFG) vibrational spectroscopy and high-pressure scanning tunneling microscopy (HP-STM) have been used in combination for the first time to study a catalytic reaction. These techniques have been able to identify surface intermediates in situ during benzene hydrogenation on a Pt(111) single-crystal surface at Torr pressures.


Comment On “Structural Stability Of Complex Hydrides: Libh4 Revisited”, Duane D. Johnson, Nikolai A. Zarkevich Sep 2006

Comment On “Structural Stability Of Complex Hydrides: Libh4 Revisited”, Duane D. Johnson, Nikolai A. Zarkevich

Duane D. Johnson

A Comment on the Letter by Zbigniew Łodziana and Tejs Vegge, Phys. Rev. Lett. 93, 145501 (2004).


Posterminaries: The Scales Of Judgement, Alexander H. King Sep 2006

Posterminaries: The Scales Of Judgement, Alexander H. King

Alexander H. King

Materials scientists are generally well-versed in physics, and physics, above all, is a science of measurements. The first instinct of a physicist is to parse a problem in terms of its measurables in the dimensions of mass, length, and time, and it is the shifting of attention down the scale of length that particularly characterizes our present times as the Nano Age.


Ginzburg-Landau Theory Of Microstructures: Stability, Transient Dynamics, And Functionally Graded Nanophases, Valery I. Levitas, D. L. Preston, Dong Wook Lee Jul 2006

Ginzburg-Landau Theory Of Microstructures: Stability, Transient Dynamics, And Functionally Graded Nanophases, Valery I. Levitas, D. L. Preston, Dong Wook Lee

Valery I. Levitas

The stability, transient dynamics, and physical interpretation of microstructures obtained from a Ginzburg-Landau theory of first-order phase transformations are studied. The Jacobi condition for stability fails numerically, thus an alternative exact stability criterion, based on critical (most destabilizing) fluctuations, is developed. The degree-of-stability parameter is introduced to quantify the physical stability of long-lived unstable microstructures. For nanofilms, the existence of functionally graded nanophases is demonstrated. Numerical simulations indicate that graded nanophases can be produced by dissolving material from both surfaces of a nanofilm. Stability under finite fluctuations and post-bifurcation microstructure evolution are investigated numerically.


Strongly Anisotropic Roughness In Surfaces Driven By An Oblique Particle Flux, Beate Schmittmann, Gunner Pruessner, Hans-Karl Janssen May 2006

Strongly Anisotropic Roughness In Surfaces Driven By An Oblique Particle Flux, Beate Schmittmann, Gunner Pruessner, Hans-Karl Janssen

Beate Schmittmann

Using field theoretic renormalization, an MBE-type growth process with an obliquely incident influx of atoms is examined. The projection of the beam on the substrate plane selects a “parallel” direction, with rotational invariance restricted to the transverse directions. Depending on the behavior of an effective anisotropic surface tension, a line of second-order transitions is identified, as well as a line of potentially first-order transitions, joined by a multicritical point. Near the second-order transitions and the multicritical point, the surface roughness is strongly anisotropic. Four different roughness exponents are introduced and computed, describing the surface in different directions, in real or …


Strain-Induced Disorder, Phase Transformations, And Transformation-Induced Plasticity In Hexagonal Boron Nitride Under Compression And Shear In A Rotational Diamond Anvil Cell: In Situ X-Ray Diffraction Study And Modeling, Valery I. Levitas, Yanzhang Ma, Javad Hashemi, Mark Holtz, Necip Guven Jan 2006

Strain-Induced Disorder, Phase Transformations, And Transformation-Induced Plasticity In Hexagonal Boron Nitride Under Compression And Shear In A Rotational Diamond Anvil Cell: In Situ X-Ray Diffraction Study And Modeling, Valery I. Levitas, Yanzhang Ma, Javad Hashemi, Mark Holtz, Necip Guven

Valery I. Levitas

Plastic shear significantly reduces the phase transformation (PT) pressure when compared to hydrostatic conditions. Here, a paradoxical result was obtained: PT of graphitelike hexagonal boron nitride (hBN) to superhard wurtzitic boron nitride under pressure and shear started at about the same pressure(∼10GPa) as under hydrostatic conditions. In situ x-ray diffraction measurement and modeling of the turbostratic stacking fault concentration (degree of disorder) and PT in hBN were performed. Under hydrostaticpressure, changes in the disorder were negligible. Under a complex compression and shear loading program, a strain-induced disorder was observed and quantitatively characterized. It is found that the strain-induced disorder suppresses …


Posterminaries: Plain Text, Alexander H. King Jan 2006

Posterminaries: Plain Text, Alexander H. King

Alexander H. King

You just can’t win an argument with an English professor.


Thermal Effects On Domain Orientation Of Tetragonal Piezoelectrics Studied By In Situ X-Ray Diffraction, Wonyoung Chang, Alexander H. King, Keith J. Bowman Jan 2006

Thermal Effects On Domain Orientation Of Tetragonal Piezoelectrics Studied By In Situ X-Ray Diffraction, Wonyoung Chang, Alexander H. King, Keith J. Bowman

Alexander H. King

Thermal effects on domain orientation in tetragonal lead zirconate titanate (PZT) and lead titanate (PT) have been investigated by using in situ x-ray diffraction with an area detector. In the case of a soft PZT, it is found that the texture parameter called multiples of a random distribution (MRD) initially increases with temperature up to approximately 100 °C and then falls to unity at temperatures approaching the Curie temperature, whereas the MRD of hard PZT and PT initially undergoes a smaller increase or no change. The relationship between the mechanical strain energy and domain wall mobility with temperature is discussed.


Recycling Krylov Subspaces For Sequences Of Linear Systems, Michael L. Parks, Eric De Sturler, Greg Mackey, Duane D. Johnson, Spandan Maiti Jan 2006

Recycling Krylov Subspaces For Sequences Of Linear Systems, Michael L. Parks, Eric De Sturler, Greg Mackey, Duane D. Johnson, Spandan Maiti

Duane D. Johnson

Many problems in science and engineering require the solution of a long sequence of slowly changing linear systems. We propose and analyze two methods that significantly reduce the total number of matrix‐vector products required to solve all systems. We consider the general case where both the matrix and right‐hand side change, and we make no assumptions regarding the change in the right‐hand sides. Furthermore, we consider general nonsingular matrices, and we do not assume that all matrices are pairwise close or that the sequence of matrices converges to a particular matrix. Our methods work well under these general assumptions, and …


Solute/Defect-Mediated Pathway For Rapid Nanoprecipitation In Solid Solutions: Γ Surface Analysis In Fcc Al-Ag, Daniel Finkenstadt, Duane D. Johnson Jan 2006

Solute/Defect-Mediated Pathway For Rapid Nanoprecipitation In Solid Solutions: Γ Surface Analysis In Fcc Al-Ag, Daniel Finkenstadt, Duane D. Johnson

Duane D. Johnson

In face-centered-cubic (fcc) Al, stacking fault energy (SFE) is high at ca. 150mJ/m2, inhibiting stacking fault (SF) formation and dislocation motion. Yet Ag-rich hcp precipitates form rapidly in Al-rich fcc Al-Ag, even as the energy difference ΔEhcp−fcc between hcp and fcc homogeneous solid solution increases with Ag content. Using electronic density functional theory methods, we calculate the SFE γSF versus distance of Ag (111) planes from intrinsic (isf), extrinsic (esf) and twin (tsf) SFs. We find that an inhomogeneous distribution of Ag solute segregated in layers adjacent to SFs leads to favorable SFE, a manifestation of the well-known Suzuki effect. …


Generalized Planar Fault Energies And Twinning In Cu–Al Alloys, S. Kibey, J. B. Liu, Duane D. Johnson, H. Sehitoglu Jan 2006

Generalized Planar Fault Energies And Twinning In Cu–Al Alloys, S. Kibey, J. B. Liu, Duane D. Johnson, H. Sehitoglu

Duane D. Johnson

We report ab initio density functional theory calculations of generalized planar fault energies of fcc Cu–xAl (x=0, 5.0, and 8.3at.%) alloys. We investigate the effects of substitutional solute Al on the unstable intrinsic γus and twin γutstacking faultenergies (SFEs). Our results reveal an increased tendency of Cu–Al to deform preferentially by twinning with increasing Al content, consistent with experiment. We attribute this mechanical behavior to appreciable lowering of the twinning barrier γut, along with the stable intrinsic and twin SFEs.