Advancing manufacturing through computational chemistry

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Description

The capabilities of nanotechnology and computational chemistry are reaching a point of convergence. New computer hardware and novel computational methods have created opportunities to test proposed nanometer-scale devices, investigate molecular manufacturing and model and predict properties of new materials. Experimental methods are also beginning to provide new capabilities that make the possibility of manufacturing various devices with atomic precision tangible. In this paper, we will discuss some of the novel computational methods we have used in molecular dynamics simulations of polymer processes, neural network predictions of new materials, and simulations of proposed nano-bearings and fluid dynamics in nano- sized devices.

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11 p.

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Noid, D.W.; Sumpter, B.G. & Tuzun, R.E. December 31, 1995.

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Description

The capabilities of nanotechnology and computational chemistry are reaching a point of convergence. New computer hardware and novel computational methods have created opportunities to test proposed nanometer-scale devices, investigate molecular manufacturing and model and predict properties of new materials. Experimental methods are also beginning to provide new capabilities that make the possibility of manufacturing various devices with atomic precision tangible. In this paper, we will discuss some of the novel computational methods we have used in molecular dynamics simulations of polymer processes, neural network predictions of new materials, and simulations of proposed nano-bearings and fluid dynamics in nano- sized devices.

Physical Description

11 p.

Notes

OSTI as DE96008099

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  • Technology 2005, Chicago, IL (United States), 23-26 Oct 1995

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  • Other: DE96008099
  • Report No.: CONF-9510358--1
  • Grant Number: AC05-84OR21400
  • Office of Scientific & Technical Information Report Number: 230522
  • Archival Resource Key: ark:/67531/metadc670616

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  • December 31, 1995

Added to The UNT Digital Library

  • June 29, 2015, 9:42 p.m.

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  • Jan. 21, 2016, 1:56 p.m.

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Noid, D.W.; Sumpter, B.G. & Tuzun, R.E. Advancing manufacturing through computational chemistry, article, December 31, 1995; Tennessee. (digital.library.unt.edu/ark:/67531/metadc670616/: accessed August 21, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.