Vacancy and phonon dispersion properties of Be, Co, Hf, Mg, and Re by modified embedded atom method potentials

Ri, Hyok-Chol; Jin, Hak-Son; Cha, Jong-Chol; He, Yurong

doi:10.1007/s00894-021-04759-4

Cited by 3 publications

(3 citation statements)

References 26 publications

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“…Under normal circumstances, the pressure of the patellofemoral joint is evenly distributed within a reasonable range of motion, and a very low friction coefficient is maintained between the patella and the femur, without significant friction [ 12 ]. If the soft tissue of some parts of the knee joint is too tight, the muscle strength is too weak, the unreasonable movement mode or the physiological structure is abnormal, it may cause the patella to be misaligned, so that the patella cannot move smoothly in the bone groove, which will increase the local pressure and make The cartilage of the knee joint is worn away [ 13 ].…”

Section: Application Methods Based On Embedded Smart Wearable Device ...mentioning

confidence: 99%

Application of Embedded Smart Wearable Device Monitoring in Joint Cartilage Injury and Rehabilitation Training

Zhang

Sun

Chen

2022

Journal of Healthcare Engineering

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Joint injuries cause varying degrees of damage to joint cartilage. The purpose of this paper is to study the application of embedded smart wearable device monitoring in articular cartilage injury and rehabilitation training. This paper studies what an embedded system is and what a smart wearable device is and also introduces the rehabilitation training method of articular cartilage injury. We cited an embedded matching cost algorithm and an improved AD-Census. The joint cartilage damage and rehabilitation training are monitored. Finally, we introduced the types of smart wearable devices and different types of application fields. The results of this paper show that, after an articular cartilage injury, the joint function significantly recovers using the staged exercise rehabilitation training based on embedded smart wearable device monitoring. We concluded that, from 2013 to 2020, smart wearable devices are very promising in the medical field. In 2020, the value will reach 20 million US dollars.

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Section: Application Methods Based On Embedded Smart Wearable Device ...mentioning

confidence: 99%

Application of Embedded Smart Wearable Device Monitoring in Joint Cartilage Injury and Rehabilitation Training

Zhang

Sun

Chen

2022

Journal of Healthcare Engineering

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“…The small fluctuations in the interatomic force are reflected in highfrequency vibrational modes, such as optical modes. The deviation of optical phonon frequency is more significant when calculate the materials with HCP structure using empirical model, because it is difficult to accurately fit c/a ratio [44,45]. On the other hand, the empirical model can not accurately describe the atomic environment with strong electronic bonds.…”

Section: Anharmonic Phonon Propertiesmentioning

confidence: 99%

Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon

Cheng¹,

Wang²

2022

J. Phys.: Condens. Matter

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The analysis of the contribution of anisotropic phonon transmission to thermal conductivity is helpful to focus on high-energy phonons in heat transport. We calculated a series of anharmonic phonon properties and heat transport properties of Si by Fourier projection method from atomic trajectories. Under this theoretical scheme, we have obtained very consistent results with the experimental data through very low computational cost, especially the anharmonic phonon properties at high temperature. We carefully analyze the contribution of different phonons to thermal conductivity and the anisotropic feature of phonon. It is found that the longitudinal acoustic phonons have the special thermal broadening near the point L at the boundary of the Brillouin zone. The optical phonons cannot be safely ignored in the study of heat transport, especially the longitudinal optical phonon that shows a large contribution to thermal conductivity at room temperature. The thermal conductivity contribution of different phonons varies with temperature. The anisotropic features of the contribution of different phonons to thermal conductivity are mainly reflected in the short-wavelength phonons. Our work explains the reason why other research works have different opinions on whether LA phonon is the main contributor of thermal conductivity. These investigations also provide insights for further understanding phonon heat transport and distribution of high-energy phonons.

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“…By combining the classical molecular dynamics methods, the generation of crystal defects in Cr targets irradiated with short laser pulses was investigated. Moreover, the MEAM theory has been applied to different elemental systems (Ri et al, 2021;Almyras et al, 2019;Aitken et al, 2021;Lv et al, 2021).…”

mentioning

confidence: 99%

Description of crystal defect properties in BCC Cr with extended Finnis–Sinclair potential

Wei

Zhou

Wang

et al. 2022

MMMS

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PurposeThe purpose of this study is to propose extended potentials and investigate the applicability of extended Finnis–Sinclair (FS) potential to Cr with the unit cell structure of body-centered cubic (BCC Cr).Design/methodology/approachThe parameters of each potential are determined by fitting the elastic constants, cohesive energy and mono-vacancy formation energy. Furthermore, the ability of the extended FS potential to describe the crystal defect properties is tested. Finally, the applicability of reproducing the thermal properties of Cr is discussed.FindingsThe internal relationship between physical properties and potential function is revealed. The mathematical relationship between physical properties and potential function is derived in detail. The extended FS potential performs well in reproducing physical properties of BCC Cr, such as elastic constants, cohesive energy, surface energy and the properties of vacancy et al. Moreover, good agreement is obtained with the experimental data for predicting the melting point, specific heat and coefficient of thermal expansion.Originality/valueIn this study, new extended potentials are proposed. The extended FS potential is able to reproduce the physical and thermal properties of BCC Cr. Therefore, the new extended potential can be used to describe the crystal defect properties of BCC Cr.

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Vacancy and phonon dispersion properties of Be, Co, Hf, Mg, and Re by modified embedded atom method potentials

Cited by 3 publications

References 26 publications

Application of Embedded Smart Wearable Device Monitoring in Joint Cartilage Injury and Rehabilitation Training

Application of Embedded Smart Wearable Device Monitoring in Joint Cartilage Injury and Rehabilitation Training

Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon

Description of crystal defect properties in BCC Cr with extended Finnis–Sinclair potential

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