Diffusion of silver in titanium nitride: Insights from density functional theory and molecular dynamics

High temperature tribological behaviour of TiSiN(Ag) films deposited by HiPIMS in DOMS mode

(2020) D. Cavaleiro et al.   SURFACE & COATINGS TECHNOLOGY

Low peak power deposition regime in HiPIMS: Deposition of hard and dense nanocomposite Ti-Si-N films by DOMS without the need of energetic bombardment

(2020) F. Fernandes et al.   SURFACE & COATINGS TECHNOLOGY

TiSiN(Ag) films deposited by HiPIMS working in DOMS mode: Effect of Ag content on structure, mechanical properties and thermal stability

(2019) D. Cavaleiro et al.   APPLIED SURFACE SCIENCE

Point defects at the Σ5(012)[100] grain boundary in TiN and the early stages of Cu diffusion: An ab initio study

(2018) Maxim N. Popov et al.   ACTA MATERIALIA

First-principles study of adsorption and diffusion of oxygen on surfaces of TiN, ZrN and HfN

(2018) Fangyu Guo et al.   APPLIED SURFACE SCIENCE

Structure, electronic properties, and oxygen incorporation/diffusion characteristics of the Σ 5 TiN(310)[001] tilt grain boundary

(2018) Keith P. McKenna   JOURNAL OF APPLIED PHYSICS

Development of an empirical interatomic potential for the Ag–Ti system

(2017) Ying Zhou et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Functional properties of ceramic-Ag nanocomposite coatings produced by magnetron sputtering

(2016) S. Calderon Velasco et al.   PROGRESS IN MATERIALS SCIENCE

High performance cutting of advanced aerospace alloys and composite materials

(2015) Rachid M'Saoubi et al.   CIRP ANNALS-MANUFACTURING TECHNOLOGY

Formation and interaction of point defects in group IVb transition metal carbides and nitrides

(2015) V.I. Razumovskiy et al.   COMPUTATIONAL MATERIALS SCIENCE

Design-of-experiments application in machining titanium alloys for aerospace structural components

(2015) Navneet Khanna et al.   MEASUREMENT

Nitrogen vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation inB1TiN studied byab initioand classical molecular dynamics with optimized potentials

(2015) D. G. Sangiovanni et al.   PHYSICAL REVIEW B

Environmental friendly cutting fluids and cooling techniques in machining: a review

(2014) Sujan Debnath et al.   JOURNAL OF CLEANER PRODUCTION

Ti adatom diffusion on TiN(001): Ab initio and classical molecular dynamics simulations

(2014) D.G. Sangiovanni et al.   SURFACE SCIENCE

Adsorption and pathways of single atomistic processes on TiN (111) surfaces: A first principle study

(2013) Yuan Ren et al.   COMPUTATIONAL MATERIALS SCIENCE

Problems and solutions in machining of titanium alloys

(2013) A. Pramanik   INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY

First-principles study of rare gas incorporation in titanium nitride

(2013) R. Bès 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

Adsorption of water on TiN (100), (110) and (111) surfaces: A first-principles study

(2011) Suchismita Sanyal et al.   APPLIED SURFACE SCIENCE

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The modified embedded-atom method interatomic potentials and recent progress in atomistic simulations

(2010) Byeong-Joo Lee et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Modified embedded-atom method interatomic potentials for the Ti–C and Ti–N binary systems

(2008) Young-Min Kim et al.   ACTA MATERIALIA

Optimization methods for finding minimum energy paths

(2008) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS

Industrial applications of superhard nanocomposite coatings

(2008) Stan Veprek et al.   SURFACE & COATINGS TECHNOLOGY