Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

羟氨苄青霉素引起大疱性类天疱疮样疹

Gallium oxide (Ga2O3) is emerging as a viable candidate for certain classes of power electronics, solar blind UV photodetectors, solar cells, and sensors with capabilities beyond existing technologies due to its large bandgap. It is usually reported that there are five different polymorphs of Ga2O3, namely, the monoclinic (β-Ga2O3), rhombohedral (α), defective spinel (γ), cubic (δ), or orthorhombic (e) structures. Of these, the β-polymorph is the stable form under normal conditions and has been the most widely studied and utilized. Since melt growth techniques can be used to grow bulk crystals of β-GaO3, the cost of producing larger area, uniform substrates is potentially lower compared to the vapor growth techniques used to manufacture bulk crystals of GaN and SiC. The performance of technologically important high voltage rectifiers and enhancement-mode Metal-Oxide Field Effect Transistors benefit from the larger critical electric field of β-Ga2O3 relative to either SiC or GaN. However, the absence of clear demonstrations of p-type doping in Ga2O3, which may be a fundamental issue resulting from the band structure, makes it very difficult to simultaneously achieve low turn-on voltages and ultra-high breakdown. The purpose of this review is to summarize recent advances in the growth, processing, and device performance of the most widely studied polymorph, β-Ga2O3. The role of defects and impurities on the transport and optical properties of bulk, epitaxial, and nanostructures material, the difficulty in p-type doping, and the development of processing techniques like etching, contact formation, dielectrics for gate formation, and passivation are discussed. Areas where continued development is needed to fully exploit the properties of Ga2O3 are identified.

A review of Ga2O3 materials, processing, and devices

J. Y. Tsao,* S. Chowdhury, M. A. Hollis,* D. Jena, N. M. Johnson, K. A. Jones, R. J. Kaplar,* S. Rajan, C. G. Van de Walle, E. Bellotti, C. L. Chua, R. Collazo, M. E. Coltrin, J. A. Cooper, K. R. Evans, S. Graham, T. A. Grotjohn, E. R. Heller, M. Higashiwaki, M. S. Islam, P. W. Juodawlkis, M. A. Khan, A. D. Koehler, J. H. Leach, U. K. Mishra, R. J. Nemanich, R. C. N. Pilawa-Podgurski, J. B. Shealy, Z. Sitar, M. J. Tadjer, A. F. Witulski, M. Wraback, and J. A. Simmons

/pdf/ultrawide-bandgap-semiconductors-research-opportunities-and-49ev1zu2ym.pdf

Ultrawide-Bandgap Semiconductors: Research Opportunities and Challenges

https://onlinelibrary.wiley.com/doi/pdf/10.1002/pssb.201800192

Two-Dimensional Phosphorus Carbide Polymorphs: Influence of Structural Motifs on the Band Gap

Electric, thermal, and mechanical strain fields drive the degradation of AlGaN/GaN high-electron mobility transistors (HEMTs). The resulting mechanical strains within the devices are particularly important. However, a lack of high-resolution measurements of device deformation has limited progress in understanding the related phenomena. This paper presents the atomic force microscope measurements of thermomechanical deformation of AlGaN/GaN HEMT devices during pulsed operation. We investigate the devices with various operating conditions: drain–source voltage, $V_{\mathrm {\mathrm {DS}}}$ , of 0–50 V; drain–source power of 0–6 W/mm; and operating frequency of 55–400 kHz. As $V_{\mathrm {\mathrm {DS}}}$ increases, thermomechanical deformation decreases, especially in the region above the gate. An electrothermomechanical model closely matches with and helps to explain the measurements. According to the model, the maximum periodic tensile thermal stress, which occurs at the drain-side edge of the gate footprint, is 55% larger for $V_{\mathrm {\mathrm {DS}}} = 10$ V than for $V_{\mathrm {\mathrm {DS}}} = 48$ V for the same device power. The maximum tensile thermal stress in the device depends on the gate temperature and not the maximum device temperature. As $V_{\mathrm {\mathrm {DS}}}$ increases, the hotspot moves away from the gate, leading to lower gate temperature rise and lower tensile thermal stress.

Nanometer-Scale Strain Measurements in AlGaN/GaN High-Electron Mobility Transistors During Pulsed Operation

Microscopy is typically used as a post-mortem analytical tool in performance and reliability studies on nanoscale materials and devices. In this study, we demonstrate real time microscopy of the operation and failure of AlGaN/GaN high electron mobility transistors inside the transmission electron microscope. Loading until failure was performed on the electron transparent transistors to visualize the failure mechanisms caused by self-heating. At lower drain voltages, thermo-mechanical stresses induce irreversible microstructural deformation, mostly along the AlGaN/GaN interface, to initiate the damage process. At higher biasing, the self-heating deteriorates the gate and catastrophic failure takes place through metal/semiconductor inter-diffusion and/or buffer layer breakdown. This study indicates that the current trend of recreating the events, from damage nucleation to catastrophic failure, can be replaced by in situ microscopy for a quick and accurate account of the failure mechanisms.

http://iopscience.iop.org/article/10.1088/1361-6528/aac591/pdf

In situ transmission electron microscopy of transistor operation and failure

The authors report on an electrical and optical analysis of AlGaN/GaN HEMTs stressed under high electric field conditions into a state of permanent degradation, evidenced by an increase in OFF-state leakage current and a reduction in breakdown voltage. A method of stress testing AlGaN/GaN HEMTs to voltages close to breakdown while protecting the device from catastrophic failure is presented. Using this stress method, a detailed study was performed to observe device degradation that limits safe operation in the OFF-state. Electrical analysis reveals that quantitatively the Schottky properties of the gate diode are degraded by the stress and suggests a localized defect. An optical analysis confirms localized degradation via electroluminescence (EL) spots on the stressed side of the gate finger. It is shown that the dominant EL site in the degraded device may be observed prior to the application of stress. Finally, it is confirmed that the localized EL emission of the stressed device is the dominant gate leakage path via thermal imaging. These results suggest a method for identifying and understanding the failure mechanisms that limit the safe operating area of GaN HEMTs.

Analysis of Time Dependent Electric Field Degradation in AlGaN/GaN HEMTs

Reports to date of GaN HEMTs subjected to forward gate bias stress include varied extents of degradation. We report an extremely robust GaN HEMT technology that survived—contrary to conventional wisdom—high forward gate bias (

/pdf/a-very-robust-algan-gan-hemt-technology-to-high-forward-gate-3381jaxppv.pdf

Eric R. Heller

Papers

Two-Dimensional Phosphorus Carbide Polymorphs: Influence of Structural Motifs on the Band Gap

Nanometer-Scale Strain Measurements in AlGaN/GaN High-Electron Mobility Transistors During Pulsed Operation

In situ transmission electron microscopy of transistor operation and failure

Analysis of Time Dependent Electric Field Degradation in AlGaN/GaN HEMTs

A Very Robust AlGaN/GaN HEMT Technology to High Forward Gate Bias and Current