R.V. Reji, S. Anil Lal^†

Frontiers in Heat and Mass Transfer, Vol.7, pp. 1-8, 2016, DOI:10.5098/hmt.7.27

Abstract DSMC simulation of re-entry of an object with shape and size close to that of ISRO’s Space Recovery Experiment (SRE) capsule has been analysed using the open-source tool dsmcFoam for three altitude conditions, viz. 85 km, 100 km and 115 km, and for three angles of attack, viz. 0 o , 20o&40o . The hypersonic free stream velocity of 8000 m/s and boundary surface temperature of 300 K have been used for the simulations. The variation of parameters such as surface heat flux, surface pressure, shear stress, slip velocity, temperature jump and integrals such as total heat transfer, pressure drag… More >

Hongfei Ye^1,*, Chenguang Yin¹, Jian Wang¹, Yonggang Zheng¹, Hongwu Zhang¹

The International Conference on Computational & Experimental Engineering and Sciences, Vol.27, No.1, pp. 1-1, 2023, DOI:10.32604/icces.2023.09741

Abstract The wetting behavior is ubiquitous in natural phenomenon as well as engineering application. As an intrinsic property of solid surface, the wettability with a controllable gradient has been an attractive issue with a wide application in various fields, including microfluidic devices, self-driven transport, biotechnologies, etc. Generally, it often requires elaborate design of microstructure or its response under the electrical, thermal, optical, pH stimuli, etc. However, the relevant complex underlying mechanism makes it difficult to construct quantitative relations between the wettability and the external field for the fine design. In this work, based on the bilayer two-dimensional materials, a simple controlling… More >

Xinliang Li¹, Jiangang Guo^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.27, No.1, pp. 1-2, 2023, DOI:10.32604/icces.2023.09484

Abstract As the first two-dimensional (2D) material discovered in experiments, graphene has attracted increasing attention from the scientific community [1]. And it possesses many superb mechanical, electronic and optical properties [2-4] due to its unique atomic structure. Its Young’s modulus and failure strength are 1TPa and 130GPa [5], respectively. Thus, 2D graphene has been extensively used in nanosensors and nanocomposites [6-8], etc. In order to fabricate graphene-based devices which inherit outstanding properties of 2D graphene, materials scientists are trying to use 2D graphene as building blocks to construct three-dimensional (3D) carbon nanomaterials, such as 3D graphene networks [9-11]. Nowadays, these 3D… More >

Jianli Shao^1,2,*, Weidong Wei¹

The International Conference on Computational & Experimental Engineering and Sciences, Vol.26, No.4, pp. 1-1, 2023, DOI:10.32604/icces.2023.09101

Abstract This report mainly introduces our recent research on the shock-induced collapse, migration and coalescence of He bubbles in metal based on atomistic simulations. The He bubble will be compressed to permanent deformation with the finite plastic collapse of metal. Under strong shock, the He bubble can be breakdown by the nano-jet of the metal, but it returns to a reduced sphere in the molten metal after long-time evolution, driven by the He-Al interface energy. Besides, the shock-induced migration of He bubble is revealed, which can be divided into shock acceleration and the following inertial motion. Moreover, two coalescence modes caused… More >

Chuanlong Xu¹, Haidong Fan^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.3, pp. 1-1, 2023, DOI:10.32604/icces.2023.010110

Abstract Grain boundary (GB) is an important microstructure and plays a vital role in the mechanical properties of polycrystalline materials by GB migration and sliding. In this work, molecular dynamic (MD) simulations were performed to investigate the migration mechanisms of symmetric tilt grain boundaries (STGBs) in magnesium. A total of 15 STGBs with the rotation angle θ from 0° to 90° were studied under a pure shear loading. The results show that the GB migration mechanisms are significantly influenced by the GB structure. For small angle STGBs (θ<28°), the GB migration is mediated by twin nucleation from GB… More >

Qishan Huang¹, Haofei Zhou^2,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.3, pp. 1-1, 2023, DOI:10.32604/icces.2023.010014

Abstract Nanostructured metals contain vast amount of grain boundaries which are crucial to their mechanical behaviors. The plastic deformation mechanisms mediated by grain boundaries have been attracted increasing attentions in recent years. Our recent studies have been focused on using atomistic simulations to understand the grain boundary mediated plastic deformation mechanisms including deformation twinning initiated by dislocation nucleation from grain boundaries [1], cyclic plastic deformability governed by reversible slip of grain boundary dislocations [2], and extreme shear deformation of nanocrystals induced by twin boundary sliding [3]. We have also proposed a misorientation-dependent model to explain the transition between grain boundary migration… More >

Xin Wang^1,*, H. Fan¹

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09986

Abstract Precipitates play an important role in the evolution of irradiation-induced defects and mechanical property of irradiated metals. In this work, the effects of a Zr2Cu precipitate on the production and subsequent evolution of cascade-induced point defects (vacancies and interstitials) in ZrCu alloy were investigated by molecular dynamics simulations at room temperature. The simulation results show that the precipitate increases the number of residual point defects at the end of cascade. However, most of the residual defects reside in the precipitate and near precipitate boundary. In the matrix, more interstitials survive than vacancies. In addition, a defect-free region is seen in… More >

Yan liu¹, Chuanlong Xu¹, Xiaobao Tian¹, Wentao Jiang¹, Qingyuan Wang¹, Haidong Fan^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09982

Abstract Zirconium alloys were widely used as fuel cladding in nuclear reactors. Stacking fault pyramid (SFP) is an irradiation-induced defect in zirconium. In this work, the formation process of SFP from a hexagonal vacancy plate on basal plane is studied by molecular dynamics (MD) simulations. The results show that, during the SFP formation from a basal vacancy plate, the dislocation is firstly dissociated into two partial dislocations and . The former one resides on the basal plane, while the latter one glides on the first-order pyramidal plane. The partials on adjacent pyramidal planes… More >

Mao Li¹, Xiaobao Tian¹, Wentao Jiang¹, Qingyuan Wang¹, Haidong Fan^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09981

Abstract Poor ductility heavily limits the industrial application of magnesium (Mg) alloys, and pyramidal dislocations are an important deformation mode for ductility enhancement. In this work, discrete dislocation dynamics (DDD) simulations were performed to study the mechanical behavior and dislocation evolution of Mg singlecrystals compressed along c-axis. Especially, basal-transition and cross-slip algorithms of pyramidal dislocations were proposed and introduced in the DDD method. Simulation results show that basaltransition is an important mechanism for the strong strain hardening observed during c-axis compression of Mg single-crystals. Since the basal-transition events are thermally activated, increasing temperature leads to a high strain hardening rate.… More >

Zikun Li¹, Jing Tang¹, Xiaobao Tian¹, Qingyuan Wang¹, Wentao Jiang¹, Haidong Fan^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09968

Abstract Magnesium is a lightweight structural metal but the industrial application is limited by its poor intrinsic ductility. Pyramidal dislocations are believed to be responsible for the ductility enhancement whereas the dislocation plasticity of magnesium was not well studied, especially the pyramidal dislocations. In this work, molecular dynamics simulations were performed to investigate the pyramidal disloation behaviors including the decomposition of pyramidal dislocations on both pyramidal-I and pyramidal-II planes and the interactions between themselves and other dislocations in Mg. The pyramidal-I dislocations are decomposed into and dislocations under shear stress at 0-400K, which all reside on basal plane.… More >