Author:Ngoepe, PE; Ntoahae, PS; Mangwejane, SS; Sithole, Happy M; Parker, SC; Wright, KV; De Leeuw, NHDate:Sep 2005The authors present the results of atomistic simulations using derived interatomic potentials for the pyrite-structured metal chalcogenides FeS2, PtSb2 and PtAs2. Structural and elastic constants were calculated and compared with experimental ...Read more
Author:Mkhonto, D; De Leeuw, NHDate:Jan 2008Computer modelling techniques were employed to investigate the effect of surface silanol groups on the strength of adhesion of apatite thin films to silica surfaces. To this end, the researchers have studied a series of silica surfaces with ...Read more