Kinetic Monte Carlo simulations of oscillatory shape evolution for electromigration-driven islands

The shape evolution of two-dimensional islands under electromigration-driven periphery diffusion is studied by kinetic Monte Carlo (KMC) simulations and continuum theory. The energetics of the KMC model is adapted to the Cu(100) surface, and the continuum model is matched to the KMC model by a suitably parametrized choice of the orientation-dependent step stiffness and step atom mobility. At 700 K shape oscillations predicted by continuum theory are quantitatively verified by the KMC simulations, while at 500 K qualitative differences between the two modeling approaches are found.Comment: 7 pages, 6 figure

Sintering Kinetics of Plasma-Sprayed Zirconia TBCs

A model of the sintering exhibited by EB-PVD TBCs, based on principles of free energy minimization, was recently published by Hutchinson et al. In the current paper, this approach is applied to sintering of plasma-sprayed TBCs and comparisons are made with experimental results. Predictions of through-thickness shrinkage and changing pore surface area are compared with experimental data obtained by dilatometry and BET analysis respectively. The sensitivity of the predictions to initial pore architecture and material properties are assessed. The model can be used to predict the evolution of contact area between overlying splats. This is in turn related to the through-thickness thermal conductivity, using a previously-developed analytical model

Fingering Instability of Dislocations and Related Defects

We identify a fundamental morphological instability of mobile dislocations in crystals and related line defects. A positive gradient in the local driving force along the direction of defect motion destabilizes long-wavelength vibrational modes, producing a ``fingering'' pattern. The minimum unstable wavelength scales as the inverse square root of the force gradient. We demonstrate the instability's onset in simulations of a screw dislocation in Al (via molecular dynamics) and of a vortex in a 3-d XY ``rotator'' model.Comment: 4 pages, 3 figure

Cleavage due to dislocation confinement in layered materials

The effects of dislocation confinement on fracture behavior in laminates consisting of alternating submicron ductile and brittle layers are studied. When the ductile layer thickness is below the micron level, dislocations must be treated individually. Dislocations emitted from the crack tip have two effects: they blunt the crack and thereby reduce the tensile stress at the crack tip; and pile up against an interface and send a back stress to the crack tip to hinder further dislocation emission. Consequently, an equilibrium number of dislocations exist at a given load level. We estimate this number by considering the stability conditions for dislocations threading in the ductile layer, and dislocation pile-up is treated as an equivalent superdislocation. Furthermore, the competition between further dislocation emission and cleavage at the blunted crack tip is considered. Our result shows that because of the confinement, as the applied load increases, the tensile stress at the blunted crack also increases. Cleavage occurs when the tensile stress at the crack tip reaches the theoretical strength. Given a sufficiently thin constraining layer, cleavage can even occur in ductile metals such as copper and aluminum. The implications of this model for several material systems are discussed.National Science Foundation 93/10; Office of Naval Research 93/1

Descriptive Enlargement of Intracranial Aneurysms to a Critical Thickness for Rupture

\u27\u27lntracranial Aneurysm: A model of expansion to critical thinning, Poster Presentation Annual Meeting of Biophysical Society, Wash., D.C., 1993, 9 p. Most intracranial aneurysms (IA) are thinner at the apex; and 84% rupture at the apex. (Weir, 1987, Crompton, 1966). Minimum thickness of an unruptured aneurysm is reported 20 microns (Suzuki, et al 1980). We have developed a computer model of aneurysm enlargement starting from a vascular wall using the membrane elasticity equations of Green and Adkins, 1960 and Bogen & McMahon, 1978, and a computer solution with a new Fortran program by X. Gong. The relatively homogeneous wall (Austin, et al 1973) enlarges with suprathreshold pressure increments and is assumed incompressible. Parameters include initial neck diameter, initial wall thickness, material constant, relative Young\u27s Modulus, relative initial apex inflation, and curvature at the apex. The enlarging aneurysm is non-spherical with cylindrical symmetry. Growth of the aneurysm shows increased thinning toward the apex and a predictable minimum volume for the threshold thickness at rupture. Graphic results are displayed to show pressure-volume, thickness-apex distance, and thickness-pressure relations. The graphic and pictorial plot of aneurysm volume versus wall thickness and diameter, predicts proximity to rupture for given initial parameters

GRK5 deficiency exaggerates inflammatory changes in TgAPPsw mice

<p>Abstract</p> <p>Background</p> <p>Deficiency of membrane G-protein coupled receptor (GPCR) kinase-5 (GRK5) recently has been linked to early AD pathogenesis, and has been suggested to contribute to augmented microglial activation <it>in vitro </it>by sensitizing relevant GPCRs. However, GRK5 deficient mice did not show any signs of microgliosis, except for their moderate increase in axonal defects and synaptic degenerative changes during aging. We have speculated that one possible reason for the absence of microgliosis in these animals might be due to lack of an active inflammatory process involving activated GPCR signaling, since GRKs only act on activated GPCRs. The objective of this study was to determine whether the microgliosis is exaggerated in TgAPPsw (Tg2576) mice also deficient in GRK5, in which fibrillar β-amyloid (Aβ) and an active inflammatory process involving activated GPCR signaling are present.</p> <p>Methods</p> <p>Both quantitative and qualitative immunochemistry methods were used to evaluate the microgliosis and astrogliosis in these animals. </p> <p/> <p>Results</p> <p>We found that inactivation of one copy of the GRK5 gene in the TgAPPsw mice resulted in approximately doubled extent of microgliosis, along with significantly exaggerated astrogliosis, in both hippocampus and cortex of the aged animals. Consistent with previous observations, the activated microglia were located primarily near or surrounding the fibrillar Aβ deposits.</p> <p>Conclusion</p> <p>The results demonstrate that GRK5 deficiency <it>in vivo </it>significantly exaggerates microgliosis and astrogliosis in the presence of an inflammatory initiator, such as the excess fibrillar Aβ and the subsequent active inflammatory reactions in the TgAPPsw mice.</p

Direct observation of active material concentration gradients and crystallinity breakdown in LiFePO4 electrodes during charge/discharge cycling of lithium batteries

The phase changes that occur during discharge of an electrode comprised of LiFePO4, carbon, and PTFE binder have been studied in lithium half cells by using X-ray diffraction measurements in reflection geometry. Differences in the state of charge between the front and the back of LiFePO4 electrodes have been visualized. By modifying the X-ray incident angle the depth of penetration of the X-ray beam into the electrode was altered, allowing for the examination of any concentration gradients that were present within the electrode. At high rates of discharge the electrode side facing the current collector underwent limited lithium insertion while the electrode as a whole underwent greater than 50% of discharge. This behavior is consistent with depletion at high rate of the lithium content of the electrolyte contained in the electrode pores. Increases in the diffraction peak widths indicated a breakdown of crystallinity within the active material during cycling even during the relatively short duration of these experiments, which can also be linked to cycling at high rate

Therapeutically relevant structural and functional mechanisms triggered by physical and cognitive exercise

Corrected by: Erratum: Molecular Psychiatry (2016) 21, 1645–1645; doi:10.1038/mp.2016.57; published online 19 April 2016. Following publication of the above article, the authors noticed that the second author’s name was presented incorrectly. The author’s name should have appeared as M Fiatarone Singh. The publisher regrets the error.Physical and cognitive exercise may prevent or delay dementia in later life but the neural mechanisms underlying these therapeutic benefits are largely unknown. We examined structural and functional magnetic resonance imaging (MRI) brain changes after 6 months of progressive resistance training (PRT), computerized cognitive training (CCT) or combined intervention. A total of 100 older individuals (68 females, average age=70.1, s.d.±6.7, 55-87 years) with dementia prodrome mild cognitive impairment were recruited in the SMART (Study of Mental Activity and Resistance Training) Trial. Participants were randomly assigned into four intervention groups: PRT+CCT, PRT+SHAM CCT, CCT+SHAM PRT and double SHAM. Multimodal MRI was conducted at baseline and at 6 months of follow-up (immediately after training) to measure structural and spontaneous functional changes in the brain, with a focus on the hippocampus and posterior cingulate regions. Participants' cognitive changes were also assessed before and after training. We found that PRT but not CCT significantly improved global cognition (F(90)=4.1, P<0.05) as well as expanded gray matter in the posterior cingulate (Pcorrected <0.05), and these changes were related to each other (r=0.25, P=0.03). PRT also reversed progression of white matter hyperintensities, a biomarker of cerebrovascular disease, in several brain areas. In contrast, CCT but not PRT attenuated decline in overall memory performance (F(90)=5.7, P<0.02), mediated by enhanced functional connectivity between the hippocampus and superior frontal cortex. Our findings indicate that physical and cognitive training depend on discrete neuronal mechanisms for their therapeutic efficacy, information that may help develop targeted lifestyle-based preventative strategies.Molecular Psychiatry advance online publication, 22 March 2016; doi:10.1038/mp.2016.19.C Suo, M Fiatarone Singh, N Gates, W Wen, P Sachdev, H Brodaty, N Saigal, GC Wilson, J Meiklejohn, N Singh, BT Baune, M Baker, N Foroughi, Y Wang, Y Mavros, A Lampit, I Leung, and MJ Valenzuel

``Electric growth`` of metal overlayers on semiconductor substrates

In this article, the authors present the main results from their recent studies of metal overlayer growth on semiconductor substrates. They show that a variety of novel phenomena can exist in such systems, resulting from several competing interactions. The confined motion of the conduction electrons within the metal overlayer can mediate a surprisingly long-range repulsive force between the metal-semiconductor interface and the growth front, acting to stabilize the overlayer. Electron transfer from the overlayer to the substrate leads to an attractive force between the two interfaces, acting to destabilize the overlayer. Interface-induced Friedel oscillations in electron density can further impose an oscillatory modulation onto the two previous interactions. These three competing factors, of all electronic nature, can make a flat metal overlayer critically, marginally, or magically stable, or totally unstable against roughening. The authors further show that, for many systems, these electronic effects can easily win over the effect of stress. First-principles studies of a few representative systems support the main features of the present electronic growth concept

Mechanical theory of the film-on-substrate-foil structure : curvature and overlay alignment in amorphous silicon thin-film devices fabricated on free-standing foil substrates

Flexible electronics will have inorganic devices grown at elevated temperatures on free-standing foil substrates. The thermal contraction mismatch between the substrate and the deposited device films, and the built-in stresses in these films, cause curving and a change in the in-plane dimensions of the workpiece. This change causes misalignment between the device layers. The thinner and more compliant the substrate, the larger the curvature and the misalignment. We model this situation with the theory of a bimetallic strip, which suggests that the misalignment can be minimized by tailoring the built-in stress introduced during film growth. Amorphous silicon thin-film transistors (a-Si:H TFTs) fabricated on stainless steel or polyimide (PI) (Kapton E®) foils need tensile built-in stress to compensate for the differential thermal contraction between the silicon films and the substrate. Experiments show that by varying the built-in stress in just one device layer, the gate silicon nitride (SiNx), one can reduce the misalignment between the source/drain and the gate levels from ∼400 parts-per-million to ∼100 parts-per-million