Impact Factor:5.7

DOI number:10.1021/acs.jpclett.8b01262

Journal:Journal of Physical Chemistry Letters

Abstract:We predict new tungsten borides, some of which are promising hard materials that are expected to be stable in a wide range of conditions, according to the computed composition temperature phase diagram. New boron-rich compound WE, is predicted to be superhard, with a Vickers hardness of 45 GPa, to possess high fracture toughness of similar to 4 MPa.m(0.5), and to be thermodynamically stable in a wide range of temperatures at ambient pressure. Temperature dependences of the mechanical properties of the boron-richest WB3 and WBs phases were studied using quasiharmonic and anharmonic approximations. Our results suggest that WEs remains a high-performance material even at very high temperatures.

Note:SCI Cited: 26!

First Author:Kvashnin, Alexander G.

Co-author:Zakaryan, Hayk A.,赵昌明,段益峰

Indexed by:Journal paper

Discipline:Natural Science

First-Level Discipline:Physics

Volume:9

Issue:12

Page Number:3470-3477

Translation or Not:no

Date of Publication:2018-06-21

Included Journals:SCI

Links to published journals:https://pubs.acs.org/doi/10.1021/acs.jpclett.8b01262