skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Towards Modeling III-V Compounds.


Abstract not provided.

; ; ; ;
Publication Date:
Research Org.:
Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
Report Number(s):
DOE Contract Number:
Resource Type:
Resource Relation:
Conference: Proposed for presentation at the The 4th International Conference on Molecular Simulation held October 23-26, 2016 in Shanghai, China.
Country of Publication:
United States

Citation Formats

Zhou, Xiaowang, Jones, Reese E., Gruber, Jacob, Lee, Stephen R., and Tucker, Garritt. Towards Modeling III-V Compounds.. United States: N. p., 2016. Web.
Zhou, Xiaowang, Jones, Reese E., Gruber, Jacob, Lee, Stephen R., & Tucker, Garritt. Towards Modeling III-V Compounds.. United States.
Zhou, Xiaowang, Jones, Reese E., Gruber, Jacob, Lee, Stephen R., and Tucker, Garritt. 2016. "Towards Modeling III-V Compounds.". United States. doi:.
title = {Towards Modeling III-V Compounds.},
author = {Zhou, Xiaowang and Jones, Reese E. and Gruber, Jacob and Lee, Stephen R. and Tucker, Garritt},
abstractNote = {Abstract not provided.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = 2016,
month = 9

Other availability
Please see Document Availability for additional information on obtaining the full-text document. Library patrons may search WorldCat to identify libraries that hold this conference proceeding.

Save / Share:
  • Progress on the development and validation of a CFD model for diesel engine combustion and flow is described. A modified version of the KIVA code is used for the computations, with improved submodels for liquid breakup, drop distortion and drag, spray/wall impingement with rebounding, sliding and breaking-up drops, wall heat transfer with unsteadiness and compressibility, multistep kinetics ignition and laminar-turbulent characteristic time combustion models, Zeldovich NOx formation, and soot formation with Nagle Strickland-Constable oxidation. The code also considers piston-cylinder-liner crevice flows and allows computations of the intake flow process in the realistic engine geometry with two moving intake valves. Significantmore » progress has been made using a modified RNG {kappa}-{var_epsilon} turbulence model, and a multicomponent fuel vaporization model and a flamelet combustion model have been implemented. Model validation experiments have been performed using a single-cylinder heavy duty truck engine that features state-of-the-art high pressure electronic fuel injection and emissions instrumentation. In addition to cylinder pressure, heat release, and emissions measurements, new combustion visualization experiments have also been performed using an endoscope system that takes the place of one of the exhaust valves. Modifications to the engine geometry for optical access were minimal, thus ensuring that the results represent the actual engine. The intake flow CFD modeling results show that the details of the intake flow process influence the engine performance. Comparisons with the measured engine cylinder pressure, heat release, soot and NOx emission data, and the combustion visualization flame images show that the CFD model results are generally in good agreement with the experiments. In particular, the model is able to correctly predict the soot-NOx trade-off trend as a function of injection timing. 44 refs., 21 figs., 6 tabs.« less
  • We suggest a further development of Vygotsky`s esthetic-semiotic model. First, we discuss Vygotsky`s model originally developed for the analysis of Ivan Bunin`s story {open_quotes}Light Breath{close_quotes}. Vygotsky analyzes formal methods used by Bunin to achieve a specific esthetic effect of {open_quote}lightness{close_quotes} while describing {open_quotes}dirty{close_quotes} events of everyday life. According to Vygotsky, this effect is achieved by ordering of events in a non-linear fashion. Vygotsky creams an airy pattern of smooth lines connecting events of story that he first orders linearly in time. And, he insists that this airy pattern creates an impression of airy lightness. In the language of semiotics, themore » esthetic effect is created by a specific structural organization of signs. Second, we present our critique of Vygotsky`s model. Although, we do not agree with Vygotsky`s sometimes moralistic judgements, and we consider the dynamics between inner personal values and received moral values to be more complicated than implied in his judgements, our critique in this paper is limited to the structure of his semiotic model. We emphasize that Vygotsky`s model does not explicitly account for a hierarchy of multiple levels of semiotic analysis. His analysis regularly slips from one level to another: (1) a lever of cognitive perception by a regular reader is confused with a level of creative genius of a writer; (2) {open_quotes}open{close_quotes} time of real world is mixed up with {open_quote}closed{close_quote} time of the story; (3) events are not organized by the hierarchy of their importance, nor in real world, nor in the inner model of the personages, nor in the story.« less
  • Historically, most energy models were reasonably equipped to assess the impact of a subsidy or change in taxation, but are often insufficient to assess the impact of more innovative policy instruments. We evaluate the models used to assess future energy use, focusing on industrial energy use. We explore approaches to engineering-economic analysis that could help improve the realism and policy relevance of engineering-economic modeling frameworks. We also explore solutions to strengthen the policy usefulness of engineering-economic analysis that can be built from a framework of multi-disciplinary cooperation. We focus on the so-called ''engineering-economic'' (or ''bottom-up'') models, as they include themore » amount of detail that is commonly needed to model policy scenarios. We identify research priorities for the modeling framework, technology representation in models, policy evaluation and modeling of decision-making behavior.« less