User contributions
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- 16:05, 1 April 2011 (diff | hist) . . (+487) . . The location of atomic hydrogen in NiTi alloy: A first principles study (→Abstract)
- 16:00, 1 April 2011 (diff | hist) . . (0) . . N File:NiTi 5.jpg (top)
- 16:00, 1 April 2011 (diff | hist) . . (0) . . N File:NiTi 4.jpg (top)
- 16:00, 1 April 2011 (diff | hist) . . (0) . . N File:NiTi 2.jpg (top)
- 15:55, 1 April 2011 (diff | hist) . . (0) . . N File:NiTi 1.jpg (top)
- 15:51, 1 April 2011 (diff | hist) . . (-1) . . Electronic Scale (→DFT Research)
- 15:50, 1 April 2011 (diff | hist) . . (+734) . . Electronic Scale (→DFT Research)
- 15:41, 1 April 2011 (diff | hist) . . (+225) . . Electronic Scale (→DFT Research)
- 15:37, 1 April 2011 (diff | hist) . . (+354) . . The location of atomic hydrogen in NiTi alloy: A first principles study (→Abstract)
- 15:33, 1 April 2011 (diff | hist) . . (-4,065) . . Electronic Scale (→DFT Research)
- 15:32, 1 April 2011 (diff | hist) . . (+519) . . N The location of atomic hydrogen in NiTi alloy: A first principles study (Created page with '== Abstract == A first principles density functional theory study to investigate the H defect in NiTi alloy is presented. We have determined the interstitial H atom position in b…')
- 15:32, 1 April 2011 (diff | hist) . . (+791) . . N Structure of the hydrogen double vacancy on Pd(111) (Created page with '== Abstract == We determine the ground-state structure of a double vacancy in a hydrogen monolayer on the Pd(111) surface. We represent the double vacancy as a triple vacancy con…')
- 15:31, 1 April 2011 (diff | hist) . . (+1,178) . . N Modified embedded-atom method interatomic potentials for the Mg-Al alloy system (Created page with '== Abstract == We developed modified embedded-atom method (MEAM) interatomic potentials for the Mg-Al alloy system using a first-principles method based on density functional the…')
- 15:29, 1 April 2011 (diff | hist) . . (+1,186) . . N Structure of AlSb(001) and GaSb(001) surfaces under extreme Sb-rich conditions (Created page with '== Abstract == We use density-functional theory to study the structure of AlSb(001) and GaSb(001) surfaces. Based on a variety of reconstruction models, we construct surface stab…')
- 15:28, 1 April 2011 (diff | hist) . . (+223) . . Electronic Scale (→DFT Research)
- 15:26, 1 April 2011 (diff | hist) . . (+15) . . Electronic Scale (→DFT Research)
- 14:53, 9 December 2010 (diff | hist) . . (+2) . . Al P2-DFT (→Vacancy Formation Energy Calculation)
- 14:53, 9 December 2010 (diff | hist) . . (+12) . . Al P2-DFT (→Vacancy Formation Energy Calculation)
- 14:50, 9 December 2010 (diff | hist) . . (+15) . . Al P1-DFT (→Sample script #2)
- 02:17, 22 November 2010 (diff | hist) . . (+471) . . Al P5-DFT (→Surface adsorption energy Calculation)
- 02:15, 22 November 2010 (diff | hist) . . (0) . . Electronic Scale (→Description)
- 02:14, 22 November 2010 (diff | hist) . . (+49) . . Electronic Scale (→Example Simulations)
- 02:11, 22 November 2010 (diff | hist) . . (-9) . . Al P2-DFT (→Vacancy Formation energy Calculation)
- 02:11, 22 November 2010 (diff | hist) . . (+18) . . Al P2-DFT (→Vacancy Formation energy Calculation)
- 02:10, 22 November 2010 (diff | hist) . . (+9) . . Al P1-DFT (→INCAR)
- 02:08, 22 November 2010 (diff | hist) . . (-1) . . Electronic Scale (→Overview)
- 02:07, 22 November 2010 (diff | hist) . . (+914) . . Al P4-DFT (→Surface Formation energy Calculation)
- 02:02, 22 November 2010 (diff | hist) . . (0) . . Al P3-DFT (→Interstitial Formation energy Calculation)
- 02:01, 22 November 2010 (diff | hist) . . (+68) . . Al P3-DFT (→Interstitial Formation energy Calculation)
- 01:59, 22 November 2010 (diff | hist) . . (+9,775) . . Al P3-DFT (→Interstitial Formation energy Calculation)
- 01:44, 22 November 2010 (diff | hist) . . (+156) . . Al P2-DFT (→POSCAR file with 3X3X3 orthogonal supercell containing 108 atoms)
- 01:41, 22 November 2010 (diff | hist) . . (+24) . . Al P2-DFT (→POSCAR file with 3X3X3 orthogonal supercell containing 108 atoms)
- 01:41, 22 November 2010 (diff | hist) . . (-6) . . Al P2-DFT (→POSCAR file with 3X3X3 orthogonal supercell containing 108 atoms)
- 01:40, 22 November 2010 (diff | hist) . . (+4) . . Al P2-DFT (→POSCAR file with 3X3X3 orthogonal supercell containing 108 atoms)
- 01:39, 22 November 2010 (diff | hist) . . (0) . . Al P2-DFT (→POSCAR file with 3X3X3 orthogonal supercell containing 108 atoms)
- 01:39, 22 November 2010 (diff | hist) . . (+13) . . Al P2-DFT (→POSCAR file with 3X3X3 orthogonal supercell containing 108 atoms)
- 01:38, 22 November 2010 (diff | hist) . . (+8) . . Al P2-DFT (→POSCAR file with 3X3X3 orthogonal supercell containing 108 atoms)
- 01:36, 22 November 2010 (diff | hist) . . (-12) . . Al P2-DFT (→POSCAR file with 3X3X3 orthogonal supercell containing 108 atoms)
- 01:36, 22 November 2010 (diff | hist) . . (+44) . . Al P2-DFT (→POSCAR file with 3X3X3 orthogonal supercell containing 108 atoms)
- 01:32, 22 November 2010 (diff | hist) . . (-1) . . Al P2-DFT (→POSCAR file with 3X3X3 orthogonal supercell containing 108 atoms =)
- 01:31, 22 November 2010 (diff | hist) . . (+8,587) . . Al P2-DFT (→Vacancy Formation energy Calculation)
- 01:21, 22 November 2010 (diff | hist) . . (+86) . . Al P1-DFT (→POSCAR)
- 00:51, 22 November 2010 (diff | hist) . . (-181) . . Al P2-DFT (→Vacancy Formation energy Calculation)
- 00:48, 22 November 2010 (diff | hist) . . (+16) . . Al P2-DFT (→Vacancy Formation energy Calculation)
- 00:46, 22 November 2010 (diff | hist) . . (-17) . . Al P2-DFT (→Vacancy Formation energy Calculation)
- 00:45, 22 November 2010 (diff | hist) . . (-1) . . Al P2-DFT (→Vacancy Formation energy Calculation)
- 00:45, 22 November 2010 (diff | hist) . . (+21) . . Al P2-DFT (→Vacancy Formation energy Calculation)
- 00:41, 22 November 2010 (diff | hist) . . (+1,798) . . Al P2-DFT (→Vacancy Formation energy Calculation)
- 23:51, 21 November 2010 (diff | hist) . . (-5) . . Al P1-DFT (→Sample script #2)
- 23:51, 21 November 2010 (diff | hist) . . (+5) . . Al P1-DFT (→Sample script #2)
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