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Benjamin P Haley @ 02:45 PM on 25 Jul, 2008

Hi,rom the perspective of materials simulations, “particle” usually means what you might expect — a single particle, often an individual atom or molecule. A “grain” is a region of many particles, with an uninterrupted crystal structure (characterized by a repeating unit cell). Grain regions might have localized point defects, but boundaries between grains are considered large defects in the crystal, sites where the crystal orientation might shift. Grain boundaries are important to the strength and failure of materials.

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