Can Computer Simulations Revolutionize Material Design?

  • Context: Undergrad 
  • Thread starter Thread starter fysik
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    Design Material
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Discussion Overview

The discussion revolves around the potential of computer simulations in the design of materials, specifically alloys, and whether existing software can accurately predict their performance. The scope includes theoretical considerations and practical applications in material science.

Discussion Character

  • Exploratory, Technical explanation, Debate/contested

Main Points Raised

  • One participant inquires about software that can design alloys in silico and assess their performance.
  • Another participant suggests that while there may not be software that operates from first principles, it is feasible to interpolate properties from existing alloys.
  • A further response emphasizes the need to consider the broader context of the problem rather than just seeking software solutions.

Areas of Agreement / Disagreement

Participants do not appear to reach a consensus on the availability of software for designing alloys, with differing views on the capabilities of existing tools and the approach to the problem.

Contextual Notes

There may be limitations regarding the definitions of "first principles" and "interpolation," as well as the scope of software capabilities in material design.

fysik
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hello

are there software to design alloys in silico or other materials and see how they would perform?

thanks!
 
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To my knowledge, there is nothing that works from first principles, but it is possible to interpolate between properties of existing alloys.
 
thanks but I am looking for software
 
http://srg.northwestern.edu/Publications%20Library/Journals/2000_DesigningNewMaterialWorld_Science_small.pdf

You need to zoom out and think more carefully about the problem you are trying to solve.
 

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