Zobrazeno 1 - 10
of 183
pro vyhledávání: '"S.H. Sheng"'
Publikováno v:
Computer Physics Communications. 209:58-69
The theoretical background and implementation of “Miedema Calculator”, a thermodynamic platform for predicting formation enthalpies of various alloys within framework of Miedema’s theory, is summarized and presented. Several user-friendly inter
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::32adbdbd04f13cff4fc58f7df2933969
https://doi.org/10.1016/j.cpc.2016.08.013
https://doi.org/10.1016/j.cpc.2016.08.013
Publikováno v:
Acta Materialia. 61:4226-4236
Using a combined ab initio density functional theory (DFT) and thermodynamic modeling, we study the stability of a variety of phases and the possible mechanism of the decomposition of the Al 1− x Si x N y solid solution and formation of nanocrystal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5486e05b5bd466ed98b6fc5bc84ed5f4
https://doi.org/10.1016/j.actamat.2013.03.048
https://doi.org/10.1016/j.actamat.2013.03.048
Origin of different plastic resistance of transition metal nitrides and carbides: Stiffer yet softer
Publikováno v:
Scripta Materialia. 68:913-916
Using density functional theory and the Peierls–Nabarro model, we calculated the shear strength and generalized stacking fault energy of TiN and TiC as prototypes of transition metal nitrides and carbides. In spite of its higher elastic moduli, TiN
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::914eebd850243a980f85583d35f1982e
https://doi.org/10.1016/j.scriptamat.2013.01.040
https://doi.org/10.1016/j.scriptamat.2013.01.040
Publikováno v:
Acta Materialia. 59:3498-3509
Using ab initio density functional theory, the equilibrium properties, such as the total energy, the molar volume, the bulk modulus and its first derivative, as well as the formation enthalpy of monoclinic ZrO2 and hexagonal α-Al2O3 phases, were cal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c6b43ed939e4d6ab71396d288a74a5b9
https://doi.org/10.1016/j.actamat.2011.02.023
https://doi.org/10.1016/j.actamat.2011.02.023
Publikováno v:
Acta Materialia. 59:297-307
The total energy, lattice constant, bulk modulus and its first derivative of stable binary face-centered cubic (fcc)-ZrN, hexagonal close-packed (hcp)(β)-Si 3 N 4 , and unstable hcp-Zr 3 N 4 and fcc-SiN, as well as the total energy and lattice const
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4c7863957c8ab8ea3341b5af7ad129ba
https://doi.org/10.1016/j.actamat.2010.09.033
https://doi.org/10.1016/j.actamat.2010.09.033
Publikováno v:
Surface and Coatings Technology. 204:1898-1906
The original finding of Veprek et al. that in nc-TiN/a-Si 3 N 4 and in nc-TiN/a-Si 3 N 4 /TiSi 2 nanocomposites, deposited under conditions which allow complete phase segregation by spinodal mechanism, the maximum hardness of ≥ 45 and > 100 GPa, re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::290f23abb942f6d2cfccb490a089a7a3
https://doi.org/10.1016/j.surfcoat.2009.09.033
https://doi.org/10.1016/j.surfcoat.2009.09.033
Publikováno v:
Acta Materialia. 56:4440-4449
The ab initio density functional theory (DFT) has been used to calculate the properties of binary face-centered cubic (fcc)(NaCl)– and fcc (ZnS)–TiN and BN, hexagonal-close-packed (hcp)–TiB2, and ternary Ti1−xBxN and TiBxN1−x solution phase
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3b41aafcef3bbf3e6e8670c9594d1d6
https://doi.org/10.1016/j.actamat.2008.04.066
https://doi.org/10.1016/j.actamat.2008.04.066
Publikováno v:
Acta Materialia. 56:968-976
The ab initio density functional theory is used to calculate the lattice constants, total energy and bulk modulus of binary hexagonal close packed (hcp) and face-centered cubic (fcc) ZrN, AlN and ternary Zr 1− x Al x N phases. The calculated result
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8122f8f6356622a6cc1a27deba8e9166
https://doi.org/10.1016/j.actamat.2007.10.050
https://doi.org/10.1016/j.actamat.2007.10.050
Publikováno v:
Chemical Physics Letters. 442:511-514
A model is improved for predicting the formation enthalpies of binary transition metal systems and testified by comparing with the recently reported experimental data. The predictions by the improved model are in better agreement with 362 experimenta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef0555fdf39c164355c45a86428332cf
https://doi.org/10.1016/j.cplett.2007.06.031
https://doi.org/10.1016/j.cplett.2007.06.031
Autor:
Narancic, Jelena1 (AUTHOR) jelenan@dbe.uns.ac.rs, Gavric, Damir1 (AUTHOR) damir.gavric@dbe.uns.ac.rs, Kostanjsek, Rok2 (AUTHOR) rok.kostanjsek@bf.uni-lj.si, Knezevic, Petar1 (AUTHOR) petar.knezevic@dbe.uns.ac.rs
Publikováno v:
Viruses (1999-4915). Jun2024, Vol. 16 Issue 6, p857. 22p.