The Influence of Magnetic Domain Walls on Longitudinal and Transverse Magnetoresistance in Tensile Strained (Ga,Mn)As Epilayers

We present a theoretical analysis of recent experimental measurements of magnetoresistance in (Ga,Mn)As epilayers with perpendicular magnetic anisotropy. The model reproduces the field-antisymmetric anomalies observed in the longitudinal magnetoresistance in the planar geometry (magnetic field in the epilayer plane and parallel to the current density), as well as the unusual shape of the accompanying transverse magnetoresistance. The magnetoresistance characteristics are attributed to circulating currents created by the presence of magnetic domain walls

Evolution of structural and electronic properties of highly mismatched InSb films

We have investigated the evolution of structural and electronic properties of highly mismatched InSb films, with thicknesses ranging from 0.1 to 1.5 μm. Atomic force microscopy, cross-sectional transmission electron microscopy, and high-resolution x-ray diffraction show that the 0.1 μm films are nearly fully relaxed and consist of partially coalesced islands, which apparently contain threading dislocations at their boundaries. As the film thickness increases beyond 0.2 μm, the island coalescence is complete and the residual strain is reduced. Although the epilayers have relaxed equally in the 〈110〉 in-plane directions, the epilayer rotation about an in-plane axis (epilayer tilt) is not equal in both 〈110〉 in-plane directions. Interestingly, the island-like surface features tend to be preferentially elongated along the axis of epilayer tilt. Furthermore, epilayer tilt which increases the substrate offcut (reverse tilt) is evident in the [110] direction. High-resolution transmission electron microscopy indicates that both pure-edge and 60° misfit dislocations contribute to the relaxation of strain. In addition, as the film thickness increases, the threading dislocation density decreases, while the corresponding room-temperature electron mobility increases. The other structural features, including the residual strain, and the surface and interface roughness, do not appear to impact the electron mobility in these InSb films. Together, these results suggest that free-carrier scattering from the threading dislocations is the primary room-temperature mobility-limiting mechanism in highly mismatched InSb films. Finally, we show quantitatively that free-carrier scattering from the lattice dilation associated with threading dislocations, rather than scattering from a depletion potential surrounding the dislocations, is the dominant factor limiting the electron mobility. © 2000 American Institute of Physics.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70332/2/JAPIAU-88-11-6276-1.pd

Persistent Decadal-Scale Rainfall Variability in the Tropical South Pacific Convergence Zone Through the Past Six Centuries

Modern Pacific decadal variability (PDV) has global impacts; hence records of PDV from the pre-instrumental period are needed to better inform models that are used to project future climate variability. We focus here on reconstructing rainfall in the western tropical Pacific (Solomon Islands; similar to 9.5 degrees S, similar to 160 degrees E), a region directly influenced by PDV, using cave deposits (stalagmite). A relationship is developed between delta O-18 variations in the stalagmite and local rainfall amount to produce a 600 yr record of rainfall variability from the South Pacific Convergence Zone (SPCZ). We present evidence for large (similar to 1.5 m), abrupt, and periodic changes in total annual rainfall amount on decadal to multidecadal timescales since 1423 +/- 5 CE (Common Era) in the Solomon Islands. The timing of the decadal changes in rainfall inferred from the 20th-century portion of the stalagmite delta O-18 record coincides with previously identified decadal shifts in PDV-related Pacific ocean-atmosphere behavior (Clement et al., 2011; Deser et al., 2004). The Solomons record of PDV is not associated with variations in external forcings, but rather results from internal climate variability. The 600 yr Solomon Islands stalagmite delta O-18 record indicates that decadal oscillations in rainfall are a persistent characteristic of SPCZ-related climate variability.Taiwan ROC NSCNTU 101-2116-M-002-009, 102-2116-M-002-016, 101R7625Geological Science

Interface states in junctions of two semiconductors with intersecting dispersion curves

A novel type of shallow interface state in junctions of two semiconductors without band inversion is identified within the envelope function approximation, using the two-band model. It occurs in abrupt junctions when the interband velocity matrix elements of the two semiconductors differ and the bulk dispersion curves intersect. The in-plane dispersion of the interface state is found to be confined to a finite range of momenta centered around the point of intersection. These states turn out to exist also in graded junctions, with essentially the same properties as in the abrupt case.Comment: 1 figur

Tight-binding study of interface states in semiconductor heterojunctions

Localized interface states in abrupt semiconductor heterojunctions are studied within a tight-binding model. The intention is to provide a microscopic foundation for the results of similar studies which were based upon the two-band model within the envelope function approximation. In a two-dimensional description, the tight-binding Hamiltonian is constructed such that the Dirac-like bulk spectrum of the two-band model is recovered in the continuum limit. Localized states in heterojunctions are shown to occur under conditions equivalent to those of the two-band model. In particular, shallow interface states are identified in non-inverted junctions with intersecting bulk dispersion curves. As a specific example, the GaSb-AlSb heterojunction is considered. The matching conditions of the envelope function approximation are analyzed within the tight-binding description.Comment: RevTeX, 11 pages, 3 figures, to appear in Phys. Rev.

Prediction of Anisotropic Single-Dirac-Cones in Bi1−x{}_{1-x}Sbx{}_{x} Thin Films

The electronic band structures of Bi${}_{1-x}$Sb${}_{x}$ thin films can be varied as a function of temperature, pressure, stoichiometry, film thickness and growth orientation. We here show how different anisotropic single-Dirac-cones can be constructed in a Bi${}_{1-x}$Sb${}_{x}$ thin film for different applications or research purposes. For predicting anisotropic single-Dirac-cones, we have developed an iterative-two-dimensional-two-band model to get a consistent inverse-effective-mass-tensor and band-gap, which can be used in a general two-dimensional system that has a non-parabolic dispersion relation as in a Bi${}_{1-x}$Sb${}_{x}$ thin film system

Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers

The race to meet the challenges of the global pandemic has served as a reminder that the existing drug discovery process is expensive, inefficient and slow. There is a major bottleneck screening the vast number of potential small molecules to shortlist lead compounds for antiviral drug development. New opportunities to accelerate drug discovery lie at the interface between machine learning methods, in this case, developed for linear accelerators, and physics-based methods. The two in silico methods, each have their own advantages and limitations which, interestingly, complement each other. Here, we present an innovative infrastructural development that combines both approaches to accelerate drug discovery. The scale of the potential resulting workflow is such that it is dependent on supercomputing to achieve extremely high throughput. We have demonstrated the viability of this workflow for the study of inhibitors for four COVID-19 target proteins and our ability to perform the required large-scale calculations to identify lead antiviral compounds through repurposing on a variety of supercomputers

IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads

The drug discovery process currently employed in the pharmaceutical industry typically requires about 10 years and $2–3 billion to deliver one new drug. This is both too expensive and too slow, especially in emergencies like the COVID-19 pandemic. In silico methodologies need to be improved both to select better lead compounds, so as to improve the efficiency of later stages in the drug discovery protocol, and to identify those lead compounds more quickly. No known methodological approach can deliver this combination of higher quality and speed. Here, we describe an Integrated Modeling PipEline for COVID Cure by Assessing Better LEads (IMPECCABLE) that employs multiple methodological innovations to overcome this fundamental limitation. We also describe the computational framework that we have developed to support these innovations at scale, and characterize the performance of this framework in terms of throughput, peak performance, and scientific results. We show that individual workflow components deliver 100 × to 1000 × improvement over traditional methods, and that the integration of methods, supported by scalable infrastructure, speeds up drug discovery by orders of magnitudes. IMPECCABLE has screened ∼ 1011 ligands and has been used to discover a promising drug candidate. These capabilities have been used by the US DOE National Virtual Biotechnology Laboratory and the EU Centre of Excellence in Computational Biomedicine

Retaining young people in a longitudinal sexual health survey: a trial of strategies to maintain participation

<p>BACKGROUND:There is an increasing trend towards lower participation in questionnaire surveys. This reduces representativeness, increases costs and introduces particular challenges to longitudinal surveys, as researchers have to use complex statistical techniques which attempt to address attrition. This paper describes a trial of incentives to retain longitudinal survey cohorts from ages 16 to 20, to question them on the sensitive topic of sexual health.</p> <p>METHODS: A longitudinal survey was conducted with 8,430 eligible pupils from two sequential year groups from 25 Scottish schools. Wave 1 (14 years) and Wave 2 (16 years) were conducted largely within schools. For Wave 3 (18 years), when everyone had left school, the sample was split into 4 groups that were balanced across predictors of survey participation: 1) no incentive; 2) chance of winning one of twenty-five vouchers worth 20 pounds; 3) chance of winning one 500 pounds voucher; 4) a definite reward of a 10 pounds voucher sent on receipt of their completed questionnaire. Outcomes were participation at Wave 3 and two years later at Wave 4. Analysis used logistic regression and adjusted for clustering at school level.</p> <p>RESULTS: The only condition that had a significant and beneficial impact for pupils was to offer a definite reward for participation (Group 4). Forty-one percent of Group 4 participated in Wave 3 versus 27% or less for Groups 1 to 3. At Wave 4, 35% of Group 4 took part versus 25% or less for the other groups. Similarly, 22% of Group 4 participated in all four Waves of the longitudinal study, whereas for the other three groups it was 16% or less that participated in full.</p> <p>CONCLUSIONS: The best strategy for retaining all groups of pupils and one that improved retention at both age 18 and age 20 was to offer a definite reward for participation. This is expensive, however, given the many benefits of retaining a longitudinal sample, we recommend inclusion of this as a research cost for cohort and other repeat-contact studies.</p&gt

Ordered Patterns of Cell Shape and Orientational Correlation during Spontaneous Cell Migration

BACKGROUND: In the absence of stimuli, most motile eukaryotic cells move by spontaneously coordinating cell deformation with cell movement in the absence of stimuli. Yet little is known about how cells change their own shape and how cells coordinate the deformation and movement. Here, we investigated the mechanism of spontaneous cell migration by using computational analyses. METHODOLOGY: We observed spontaneously migrating Dictyostelium cells in both a vegetative state (round cell shape and slow motion) and starved one (elongated cell shape and fast motion). We then extracted regular patterns of morphological dynamics and the pattern-dependent systematic coordination with filamentous actin (F-actin) and cell movement by statistical dynamic analyses. CONCLUSIONS/SIGNIFICANCE: We found that Dictyostelium cells in both vegetative and starved states commonly organize their own shape into three ordered patterns, elongation, rotation, and oscillation, in the absence of external stimuli. Further, cells inactivated for PI3-kinase (PI3K) and/or PTEN did not show ordered patterns due to the lack of spatial control in pseudopodial formation in both the vegetative and starved states. We also found that spontaneous polarization was achieved in starved cells by asymmetric localization of PTEN and F-actin. This breaking of the symmetry of protein localization maintained the leading edge and considerably enhanced the persistence of directed migration, and overall random exploration was ensured by switching among the different ordered patterns. Our findings suggest that Dictyostelium cells spontaneously create the ordered patterns of cell shape mediated by PI3K/PTEN/F-actin and control the direction of cell movement by coordination with these patterns even in the absence of external stimuli