Nanoindentation and scratching behaviors of diamond-like carbon films by coarse-grained molecular dynamics

Yu，Yifeng1,2; Zhang，Xin1; Bai，Lichun2

2023-12-01

10.1016/j.diamond.2023.110516

Diamond and Related Materials   影响因子和分区

0925-9635

High-performance coatings such as diamond-like carbon (DLC) films own thin thickness which is in the gap of experiment and molecular dynamics (MD), limiting the measurement of their intrinsic mechanical properties. To achieve the direct comparison between experiment and simulation, modified parameters of Tersoff potential describing the interaction among amorphous carbon accurately are proposed for coarse-grained MD simulations of DLC films. Such parameters are validated in compression and shear loadings compared with all-atom MD. A fitted mathematical contact model of the actual contact depth of indenter in nanoindentation is studied. By using this model, the elastic moduli of DLC films have been computed and the effect of relaxation is discussed. Besides magnified dimensions, the larger mass of coarse-grained beads enables the greater time interval, realizing the friction simulation of DLC films at experimental sliding velocities, and giving a methodological inspiration for the studies of mesoscopic simulations of amorphous materials.

Coarse-grained molecular dynamics Diamond-like carbon films Nanoindentation & scratch simulations

SCI ; EI

英语

第一 ; 通讯

WOS:001105430700001

20234414985335

Amorphous carbon ; Carbon films ; Coarse-grained modeling ; Diamond like carbon films ; Diamonds ; Nanoindentation

Gems:482.2.1 ; Nanotechnology:761 ; Physical Chemistry:801.4 ; Inorganic Compounds:804.2 ; Coating Materials:813.2 ; Atomic and Molecular Physics:931.3 ; Amorphous Solids:933.2 ; Mechanical Variables Measurements:943.2

MATERIALS SCIENCE

2-s2.0-85175058856

Scopus

1.Department of Mechanics and Aerospace Engineering,Southern University of Science and Technology,Shenzhen,518055,China
2.Key Laboratory of Traffic Safety on Track,Ministry of Education,School of Traffic & Transportation Engineering,Central South University,Changsha,410075,China

Yu，Yifeng,Zhang，Xin,Bai，Lichun. Nanoindentation and scratching behaviors of diamond-like carbon films by coarse-grained molecular dynamics[J]. Diamond and Related Materials,2023,140.

Yu，Yifeng,Zhang，Xin,&Bai，Lichun.(2023).Nanoindentation and scratching behaviors of diamond-like carbon films by coarse-grained molecular dynamics.Diamond and Related Materials,140.

Yu，Yifeng,et al."Nanoindentation and scratching behaviors of diamond-like carbon films by coarse-grained molecular dynamics".Diamond and Related Materials 140(2023).