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首页> 外文期刊>International Journal of Refractory Metals & Hard Materials >Ab intio study of inhibitors influence on growth of WC crystallites in WC/Co hard alloys
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Ab intio study of inhibitors influence on growth of WC crystallites in WC/Co hard alloys

机译:从头开始研究抑制剂对WC / Co硬质合金中WC微晶生长的影响

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摘要

The density functional theory and pseudopotential method are used to study the energy barrier for migration of W and C atoms from one carbide grain to another through the cobalt binder. Calculations show that the pair WC migration is more preferable energetically than the separate migration of W and C atoms. Addition of metals (V, Cr, Ti) which segregate at the WC-Co interface, increases the energy barrier for the WC migration decreasing the WC flow responsible for growth of carbide grains. Vanadium was considered the most effective inhibitor of all atoms studied, titanium has proved as the worst one.
机译:密度泛函理论和伪势方法用于研究W和C原子通过钴粘合剂从一个碳化物晶粒迁移到另一个碳化物晶粒的能垒。计算表明,从能量上讲,WC对的迁移比W和C原子的单独迁移更为可取。在WC-Co界面偏析的金属(V,Cr,Ti)的添加增加了WC迁移的能垒,从而降低了导致碳化物晶粒生长的WC流量。钒被认为是所有研究的原子中最有效的抑制剂,钛已被证明是最坏的抑制剂。

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