Simulation studies of the glass transition of polymers: Recent progress

1999 ◽  
Author(s):  
K. Binder ◽  
C. Bennemann ◽  
J. Baschnagel ◽  
W. Paul
Keyword(s):  
Glass Transition ◽  
Recent Progress ◽  
Simulation Studies

Recent progress in theoretical and computational studies on the utilization of lignocellulosic materials

2019 ◽  
Vol 21 (1) ◽  
pp. 9-35 ◽  
Author(s):  
Yaqin Zhang ◽  
Hongyan He ◽  
Yanrong Liu ◽  
Yanlei Wang ◽  
Feng Huo ◽  
...  
Keyword(s):  
Recent Progress ◽  
Catalytic Conversion ◽  
Computational Studies ◽  
Lignocellulosic Materials ◽  
Simulation Studies ◽  
Lignocellulose Utilization

The simulation studies provide an in-depth understanding of the mechanisms of lignocellulose utilizationviadissolution, catalytic conversion and pyrolysis.

MONTE CARLO SIMULATION OF METHANOL GLASS

1988 ◽  
Vol 01 (11n12) ◽  
pp. 395-403 ◽  
Author(s):  
P. VISHNU KAMATH ◽  
J. CHANDRASEKHAR ◽  
C.N.R. RAO
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Glass Transition ◽  
Coordination Number ◽  
Simulation Studies ◽  
Infra Red ◽  
Polymeric Species ◽  
Simulated Distribution ◽  
Small Change ◽  
Hydrogen Bonded

Monte Carlo simulation studies predict a glass transition in methanol around 180K (experimental Tg, 160K). Methanol exists mainly in the form of linear hydrogen bonded polymers with an average of 10 molecules per polymeric unit in the glass at 180K compared to 6 molecules per unit in the liquid at 298K. There is a considerably greater preponderence of the polymeric. species in the glass relative to the liquid. There is a small change in the distribution of the hydrogen bonded species at Tg, but a significant breaking down of the polymeric species occurs above 220K. The average coordination number as well as the gmin/gmax ratios show a change around 220K instead of at Tg. The simulated distribution of hydrogen bonded species is comparable to the results obtained from infra-red spectroscopy.

scholarly journals A Comprehensive Review of Recent Progress on GaN High Electron Mobility Transistors: Devices, Fabrication and Reliability

Electronics ◽  
2018 ◽  
Vol 7 (12) ◽  
pp. 377 ◽  
Author(s):  
Fanming Zeng ◽  
Judy An ◽  
Guangnan Zhou ◽  
Wenmao Li ◽  
Hui Wang ◽  
...  
Keyword(s):  
Electron Mobility ◽  
Recent Progress ◽  
High Electron Mobility Transistors ◽  
Device Fabrication ◽  
High Electron ◽  
Simulation Studies ◽  
High Electron Mobility ◽  
Electron Mobility Transistors ◽  
Device Structures ◽  
High Frequency Devices

GaN based high electron mobility transistors (HEMTs) have demonstrated extraordinary features in the applications of high power and high frequency devices. In this paper, we review recent progress in AlGaN/GaN HEMTs, including the following sections. First, challenges in device fabrication and optimizations will be discussed. Then, the latest progress in device fabrication technologies will be presented. Finally, some promising device structures from simulation studies will be discussed.

Electron-Mirror Microscopic Aspects of Ferroelectric Domains of BaTiO3 And Ca2Sr (C2H5CO2)6

1970 ◽  
Vol 28 ◽  
pp. 478-479
Author(s):  
Teruo Someya ◽  
Jinzo Kobayashi
Keyword(s):  
Surface Layer ◽  
Electric Fields ◽  
Quantitative Study ◽  
Recent Progress ◽  
Ferroelectric Domain ◽  
Resolving Power ◽  
Surface Pattern ◽  
Crystal Surfaces ◽  
One Dimensional ◽  
Ferroelectric Domains

Recent progress in the electron-mirror microscopy (EMM), e.g., an improvement of its resolving power together with an increase of the magnification makes it useful for investigating the ferroelectric domain physics. English has recently observed the domain texture in the surface layer of BaTiO3. The present authors ) have developed a theory by which one can evaluate small one-dimensional electric fields and/or topographic step heights in the crystal surfaces from their EMM pictures. This theory was applied to a quantitative study of the surface pattern of BaTiO3).

The Nature of Oxide Surfaces: Topographic and Electronic Structure

1993 ◽  
Vol 51 ◽  
pp. 966-967
Author(s):  
Dawn A. Bonnell ◽  
Yong Liang
Keyword(s):  
Transition Metal Oxides ◽  
Electronic Structures ◽  
Recent Progress ◽  
Spatial Localization ◽  
Level Of Detail ◽  
Scanning Tunneling ◽  
Oxide Surfaces ◽  
Tunneling Microscopy ◽  
Considerable Effort ◽  
Complete Understanding

Recent progress in the application of scanning tunneling microscopy (STM) and tunneling spectroscopy (STS) to oxide surfaces has allowed issues of image formation mechanism and spatial resolution limitations to be addressed. As the STM analyses of oxide surfaces continues, it is becoming clear that the geometric and electronic structures of these surfaces are intrinsically complex. Since STM requires conductivity, the oxides in question are transition metal oxides that accommodate aliovalent dopants or nonstoichiometry to produce mobile carriers. To date, considerable effort has been directed toward probing the structures and reactivities of ZnO polar and nonpolar surfaces, TiO2 (110) and (001) surfaces and the SrTiO3 (001) surface, with a view towards integrating these results with the vast amount of previous surface analysis (LEED and photoemission) to build a more complete understanding of these surfaces. However, the spatial localization of the STM/STS provides a level of detail that leads to conclusions somewhat different from those made earlier.

Glass transition for dipolar hard spheres: a mode-coupling approach

1998 ◽  
Vol 77 (2) ◽  
pp. 305-311 ◽  
Author(s):  
Thomas Scheidsteger, Rolf Schilling
Keyword(s):  
Glass Transition ◽  
Mode Coupling ◽  
Hard Spheres ◽  
Coupling Approach
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