Effects of substrate bias voltage on structure and internal stress of amorphous carbon films on γ-Fe substrate: Molecular dynamics simulation

Zhang, Silong; Zhou, Yefei; Shao, Wei; Hu, Tianshi; Rao, Lixiang; Shi, Zhijun; Xing, Xiaolei; Yang, Qingxiang

doi:10.1016/j.commatsci.2020.110206

Cited by 7 publications

(7 citation statements)

References 34 publications

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“…In addition, the formation of a surface region with a sharp decrease of sp 3 content toward the film surface in all simulation cases (as shown in Figure 5 ) agreed well with previous experimental and simulation studies [ 25 , 26 , 27 , 52 , 53 ]. Such a formation of a graphite-like surface layer is attributed to less atomic bombardment than the stable region and surface relaxation.…”

Section: Resultssupporting

confidence: 90%

“…In this study, the highest sp 3 fraction (48.5%) in DLC film deposited on the AISI 316L substrate was about two times larger than that deposited on γ-Fe substrate (26.2%) [ 25 ]. This result can be explained from the interactions between the incident C atoms and the substrate.…”

Section: Resultsmentioning

confidence: 99%

“…Recently, molecular dynamics (MD) simulations have been used to investigate the growth of DLC films and have provided unprecedented looks at the microstructure evolution during the deposition process. In addition, the effects of various factors on structures and properties of DLC films have been clarified [ 21 , 22 , 23 , 24 , 25 , 26 , 27 ]. Most MD studies have simulated the deposition processes of DLC films on substrates composed of only one chemical composition.…”

Section: Introductionmentioning

confidence: 99%

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Effects of Substrate Bias Voltage on Structure of Diamond-Like Carbon Films on AISI 316L Stainless Steel: A Molecular Dynamics Simulation Study

Dinh

Lich

et al. 2021

Materials

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With the recent significant advances in micro- and nanoscale fabrication techniques, deposition of diamond-like carbon films on stainless steel substrates has been experimentally achieved. However, the underlying mechanism for the formation of film microstructures has remained elusive. In this study, the growth processes of diamond-like carbon films on AISI 316L substrate are studied via the molecular dynamics method. Effects of substrate bias voltage on the structure properties and sp3 hybridization ratio are investigated. A diamond-like carbon film with a compact structure and smooth surface is obtained at 120 V bias voltage. Looser structures with high surface roughness are observed in films deposited under bias voltages of 0 V or 300 V. In addition, sp3 fraction increases with increasing substrate bias voltage from 0 V to 120 V, while an opposite trend is obtained when the bias voltage is further increased from 120 V to 300 V. The highest magnitude of sp3 fraction was about 48.5% at 120 V bias voltage. The dependence of sp3 fraction in carbon films on the substrate bias voltage achieves a high consistency within the experiment results. The mechanism for the dependence of diamond-like carbon structures on the substrate bias voltage is discussed as well.

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Section: Resultssupporting

confidence: 90%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Effects of Substrate Bias Voltage on Structure of Diamond-Like Carbon Films on AISI 316L Stainless Steel: A Molecular Dynamics Simulation Study

Dinh

Lich

et al. 2021

Materials

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“…Figure is the relationship curves of the average hybridization situation in the intrinsic zone of a-C films with different Ti percentages. Also, the previous simulation of undoped Ti is also compared . It can be observed that when the Ti percentage is from 0 to 2 atom %, the C percentage with sp 3 hybridization is increased and while those with sp 2 and sp hybridizations are decreased.…”

Section: Resultsmentioning

confidence: 98%

“…Figure is the relationship curves of the average internal stress and the density in the intrinsic zone of a-C films with different Ti percentages. Also, the previous simulation of undoped Ti is also compared . The density of the intrinsic zone is gradually increased with the increase of the Ti percentage, while the growth rate is slowly decreased.…”

Section: Resultsmentioning

confidence: 99%

Effects of Ti Doping on Structure and Internal Stress of Amorphous Carbon Films on the γ-Fe Substrate: Molecular Dynamics Simulation

et al. 2021

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In this paper, C and Ti were used as the deposition atoms in the molecular dynamics model. The effects of Ti doping percentages (2, 8, 14, and 20 atom %) on the structure and internal stress of a-C films were investigated. The results showed that with the increase in the Ti percentage, the density of the intrinsic zone is gradually increased, while the growth rate is slowly decreased. The internal stress is gradually changed from compressive stress to tensile stress. Among them, when the Ti percentage is 14 atom %, the internal stress is closer to 0. The C percentage with sp 3 hybridization is decreased, while those with sp 2 and sp hybridizations are increased. The positions of the first and second peaks in the RDF were shifted to the left. Moreover, the distribution of bond lengths and bond angles in the intrinsic zone tend to change from diamond to graphite, which proves that Ti doping leads to the graphitization of a-C films. In addition, Ti doping affects the internal stress of a-C films by changing the C percentage with sp 3 hybridization in them.

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Improved mechanical and tribological properties of diamond-like carbon films by adjusting pulsed substrate bias

Wang

Zhang

Lin

2022

Diamond and Related Materials

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Effects of substrate bias voltage on structure and internal stress of amorphous carbon films on γ-Fe substrate: Molecular dynamics simulation

Cited by 7 publications

References 34 publications

Effects of Substrate Bias Voltage on Structure of Diamond-Like Carbon Films on AISI 316L Stainless Steel: A Molecular Dynamics Simulation Study

Effects of Substrate Bias Voltage on Structure of Diamond-Like Carbon Films on AISI 316L Stainless Steel: A Molecular Dynamics Simulation Study

Effects of Ti Doping on Structure and Internal Stress of Amorphous Carbon Films on the γ-Fe Substrate: Molecular Dynamics Simulation

Improved mechanical and tribological properties of diamond-like carbon films by adjusting pulsed substrate bias

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