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Items: 1 to 20 of 30

1.

Density Functional Theory description of the order-disorder transformation in Fe-Ni.

Tian LY, Levämäki H, Eriksson O, Kokko K, Nagy Á, Délczeg-Czirják EK, Vitos L.

Sci Rep. 2019 Jun 3;9(1):8172. doi: 10.1038/s41598-019-44506-7.

2.

Generalized stacking fault energy of carbon-alloyed paramagnetic [Formula: see text]-Fe.

Xie R, Li W, Lu S, Song Y, Vitos L.

J Phys Condens Matter. 2019 Feb 13;31(6):065703. doi: 10.1088/1361-648X/aaf2fa. Epub 2018 Nov 22.

PMID:
30524044
3.

Phase-transition assisted mechanical behavior of TiZrHfTax high-entropy alloys.

Huang S, Li W, Holmström E, Vitos L.

Sci Rep. 2018 Aug 22;8(1):12576. doi: 10.1038/s41598-018-30892-x.

4.

Thermal spin fluctuations in CoCrFeMnNi high entropy alloy.

Dong Z, Schönecker S, Li W, Chen D, Vitos L.

Sci Rep. 2018 Aug 15;8(1):12211. doi: 10.1038/s41598-018-30732-y.

5.

First-principles investigation of the micromechanical properties of fcc-hcp polymorphic high-entropy alloys.

Li X, Irving DL, Vitos L.

Sci Rep. 2018 Jul 25;8(1):11196. doi: 10.1038/s41598-018-29588-z.

6.

Twinning in metastable high-entropy alloys.

Huang S, Huang H, Li W, Kim D, Lu S, Li X, Holmström E, Kwon SK, Vitos L.

Nat Commun. 2018 Jun 18;9(1):2381. doi: 10.1038/s41467-018-04780-x.

7.

The behaviour of stacking fault energy upon interstitial alloying.

Lee JY, Koo YM, Lu S, Vitos L, Kwon SK.

Sci Rep. 2017 Sep 11;7(1):11074. doi: 10.1038/s41598-017-11328-4.

8.

Physical mechanism of δ-δ'-ε phase stability in plutonium.

Li CM, Johansson B, Vitos L.

Sci Rep. 2017 Jul 17;7(1):5632. doi: 10.1038/s41598-017-06009-1.

9.

First Principles Theory of the hcp-fcc Phase Transition in Cobalt.

Lizárraga R, Pan F, Bergqvist L, Holmström E, Gercsi Z, Vitos L.

Sci Rep. 2017 Jun 19;7(1):3778. doi: 10.1038/s41598-017-03877-5.

10.

Exchange-Correlation Catastrophe in Cu-Au: A Challenge for Semilocal Density Functional Approximations.

Tian LY, Levämäki H, Ropo M, Kokko K, Nagy Á, Vitos L.

Phys Rev Lett. 2016 Aug 5;117(6):066401. doi: 10.1103/PhysRevLett.117.066401. Epub 2016 Aug 1.

PMID:
27541469
11.

Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches.

Li R, Lu S, Kim D, Schönecker S, Zhao J, Kwon SK, Vitos L.

J Phys Condens Matter. 2016 Oct 5;28(39):395001. doi: 10.1088/0953-8984/28/39/395001. Epub 2016 Aug 3.

PMID:
27484794
12.

Ab initio calculations of mechanical properties of bcc W-Re-Os random alloys: effects of transmutation of W.

Li X, Schönecker S, Li R, Li X, Wang Y, Zhao J, Johansson B, Vitos L.

J Phys Condens Matter. 2016 Jul 27;28(29):295501. Epub 2016 Jun 3.

PMID:
27255428
13.

Ab initio investigation of competing antiferromagnetic structures in low Si-content FeMn(PSi) alloy.

Li G, Eriksson O, Johansson B, Vitos L.

J Phys Condens Matter. 2016 Jun 2;28(21):216002. doi: 10.1088/0953-8984/28/21/216002. Epub 2016 May 4.

PMID:
27143642
14.

Tuned Magnetic Properties of L1(0)-MnGa/Co(001) Films by Epitaxial Strain.

Kim D, Vitos L.

Sci Rep. 2016 Jan 19;6:19508. doi: 10.1038/srep19508.

15.

Tensile strain-induced softening of iron at high temperature.

Li X, Schönecker S, Simon E, Bergqvist L, Zhang H, Szunyogh L, Zhao J, Johansson B, Vitos L.

Sci Rep. 2015 Nov 10;5:16654. doi: 10.1038/srep16654.

16.

Thermal surface free energy and stress of iron.

Schönecker S, Li X, Johansson B, Kwon SK, Vitos L.

Sci Rep. 2015 Oct 6;5:14860. doi: 10.1038/srep14860.

17.

Elastic constants of random solid solutions by SQS and CPA approaches: the case of fcc Ti-Al.

Tian LY, Hu QM, Yang R, Zhao J, Johansson B, Vitos L.

J Phys Condens Matter. 2015 Aug 12;27(31):315702. doi: 10.1088/0953-8984/27/31/315702. Epub 2015 Jul 23.

PMID:
26202339
18.

Ab initio-predicted micro-mechanical performance of refractory high-entropy alloys.

Li X, Tian F, Schönecker S, Zhao J, Vitos L.

Sci Rep. 2015 Jul 22;5:12334. doi: 10.1038/srep12334.

19.

Ab initio study of AlxMoNbTiV high-entropy alloys.

Cao P, Ni X, Tian F, Varga LK, Vitos L.

J Phys Condens Matter. 2015 Feb 25;27(7):075401. doi: 10.1088/0953-8984/27/7/075401. Epub 2015 Feb 2.

PMID:
25640032
20.

Magnetic effect on the interfacial energy of the Ni(1 1 1)/Cr(1 1 0) interface.

Lu S, Zhang H, Hu QM, Punkkinen MP, Johansson B, Vitos L.

J Phys Condens Matter. 2014 Sep 3;26(35):355001. doi: 10.1088/0953-8984/26/35/355001. Epub 2014 Jul 21.

PMID:
25046651

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