Nitrogen vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation inB1TiN studied byab initioand classical molecular dynamics with optimized potentials
出版年份 2015 全文链接
标题
Nitrogen vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation inB1TiN studied byab initioand classical molecular dynamics with optimized potentials
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 91, Issue 5, Pages -
出版商
American Physical Society (APS)
发表日期
2015-02-03
DOI
10.1103/physrevb.91.054301
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Vacancy-induced toughening in hard single-crystal V 0.5 Mo 0.5 N x /MgO(0 0 1) thin films
- (2014) H. Kindlund et al. ACTA MATERIALIA
- First-principles calculations for point defects in solids
- (2014) Christoph Freysoldt et al. REVIEWS OF MODERN PHYSICS
- Ab initio and classical molecular dynamics simulations of N2 desorption from TiN(001) surfaces
- (2014) D.G. Sangiovanni et al. SURFACE SCIENCE
- Ti adatom diffusion on TiN(001): Ab initio and classical molecular dynamics simulations
- (2014) D.G. Sangiovanni et al. SURFACE SCIENCE
- Effect of Al substitution on Ti, Al, and N adatom dynamics on TiN(001), (011), and (111) surfaces
- (2014) C. Tholander et al. SURFACE SCIENCE
- Ti and N adatom descent pathways to the terrace from atop two-dimensional TiN/TiN(001) islands
- (2014) D. Edström et al. THIN SOLID FILMS
- Adsorption and pathways of single atomistic processes on TiN (111) surfaces: A first principle study
- (2013) Yuan Ren et al. COMPUTATIONAL MATERIALS SCIENCE
- Toughness enhancement in hard ceramic thin films by alloy design
- (2013) H. Kindlund et al. APL Materials
- Configurational disorder effects on adatom mobilities on Ti1−xAlxN(001) surfaces from first principles
- (2012) B. Alling et al. PHYSICAL REVIEW B
- Dynamics of Ti, N, and TiNx(x=1–3) admolecule transport on TiN(001) surfaces
- (2012) D. G. Sangiovanni et al. PHYSICAL REVIEW B
- Ab initioelastic tensor of cubic Ti0.5Al0.5N alloys: Dependence of elastic constants on size and shape of the supercell model and their convergence
- (2012) Ferenc Tasnádi et al. PHYSICAL REVIEW B
- Modified embedded atom method potential for Al, Si, Mg, Cu, and Fe alloys
- (2012) B. Jelinek et al. PHYSICAL REVIEW B
- Nanolayer (Ti,Cr)N coatings for hard particle erosion resistance
- (2011) Douglas E. Wolfe et al. SURFACE & COATINGS TECHNOLOGY
- Structure and mechanical properties of TiAlN–WNx thin films
- (2011) Thomas Reeswinkel et al. SURFACE & COATINGS TECHNOLOGY
- Reactive magnetron cosputtering of hard and conductive ternary nitride thin films: Ti–Zr–N and Ti–Ta–N
- (2010) G. Abadias et al. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
- Electronic mechanism for toughness enhancement inTixM1−xN(M=Moand W)
- (2010) D. G. Sangiovanni et al. PHYSICAL REVIEW B
- Modified embedded-atom method interatomic potentials for the Fe–Ti–C and Fe–Ti–N ternary systems
- (2009) Hyun-Kyu Kim et al. ACTA MATERIALIA
- PHON: A program to calculate phonons using the small displacement method
- (2009) Dario Alfè COMPUTER PHYSICS COMMUNICATIONS
- Quantifying the anomalous self-diffusion in molybdenum with first-principles simulations
- (2009) T. R. Mattsson et al. PHYSICAL REVIEW B
- Atomistic modeling of the Cu–Zr–Ag bulk metallic glass system
- (2009) K.-H. Kang et al. SCRIPTA MATERIALIA
- Modified embedded-atom method interatomic potentials for the Ti–C and Ti–N binary systems
- (2008) Young-Min Kim et al. ACTA MATERIALIA
- Conducting transition metal nitride thin films with tailored cell sizes: The case of δ-TixTa1−xN
- (2008) L. E. Koutsokeras et al. APPLIED PHYSICS LETTERS
- Investigation of substrate bias effects on the reactively sputtered ZrN diffusion barrier films
- (2008) Jian-Long Ruan et al. CERAMICS INTERNATIONAL
- Ab-initiosimulations of materials using VASP: Density-functional theory and beyond
- (2008) Jürgen Hafner JOURNAL OF COMPUTATIONAL CHEMISTRY
- Hybrid functionals applied to extended systems
- (2008) M Marsman et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Configurational thermodynamics of alloys from first principles: effective cluster interactions
- (2008) A V Ruban et al. REPORTS ON PROGRESS IN PHYSICS
- Investigation of wear behavior and chip formation for cutting tools with nano-multilayered TiAlCrN/NbN PVD coating
- (2007) L. Ning et al. INTERNATIONAL JOURNAL OF MACHINE TOOLS & MANUFACTURE
- Structural and mechanical stability upon annealing of arc-deposited Ti–Zr–N coatings
- (2007) V.V. Uglov et al. SURFACE & COATINGS TECHNOLOGY
- Corrosion resistance of CrAlN and TiAlN coatings deposited by lateral rotating cathode arc
- (2007) Xing-zhao Ding et al. THIN SOLID FILMS
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started