E. Hayward¹, C. Deo¹

CMC-Computers, Materials & Continua, Vol.16, No.2, pp. 101-116, 2010, DOI:10.3970/cmc.2010.016.101

Abstract Damage cascades representative of those that would be induced by neutron irradiation have been simulated in systems of pure iron and iron containing 0.01 at.% hydrogen. Results from molecular dynamics simulations using three different embedded-atom method (EAM) type potentials are compared for primary knock-on atom energies of 5, 10, and 20 keV to assess the effect of hydrogen on the primary damage state. We examine the influence of hydrogen on the primary damage state due to a single radiation cascade. These results can serve as an atomistic database for methods and simulations for long time scale evolution of radiation damage. More >

Luming Shen¹

CMC-Computers, Materials & Continua, Vol.15, No.3, pp. 241-260, 2010, DOI:10.3970/cmc.2010.015.241

Abstract In this study, molecular dynamics (MD) simulations are performed to form glassy silica from meltedb-cristobalite using cooling rates of 2, 20 and 200 K/ps. The resulting glassy silica samples are then shocked at particle velocities ranging from 0.3 to 11 km/s in the MD simulations. The effect of the cooling rate on the shock wave velocity is observed for particle velocities below 2 km/s. Moreover, the simulated pressure and density of the shocked glassy silica increase as the cooling rate increases. As compared with the experimental data, the MD simulation can approximately identify the initiation of densification and predict the… More >

J. Sladek¹, V. Sladek¹, P. Stanak¹, Ch. Zhang²

CMC-Computers, Materials & Continua, Vol.15, No.1, pp. 1-26, 2010, DOI:10.3970/cmc.2010.015.001

Abstract A meshless local Petrov-Galerkin (MLPG) method is applied to solve laminate plate problems described by the Reissner-Mindlin theory. Both stationary and transient dynamic loads are analyzed here. The bending moment and the shear force expressions are obtained by integration through the laminated plate for the considered constitutive equations in each lamina. The Reissner-Mindlin theory reduces the original three-dimensional (3-D) thick plate problem to a two-dimensional (2-D) problem. Nodal points are randomly distributed over the mean surface of the considered plate. Each node is the center of a circle surrounding this node. The weak-form on small subdomains with a Heaviside step… More >

Nadipuram R. Prasad¹, Salvador Almanza-Garcia¹, Thomas T. Lu²

CMC-Computers, Materials & Continua, Vol.14, No.1, pp. 1-22, 2009, DOI:10.3970/cmc.2009.014.001

Abstract The paper presents a revolutionary framework for the modeling, detection, characterization, identification, and machine-learning of anomalous behavior in observed phenomena arising from a large class of unknown and uncertain dynamical systems. An evolved behavior would in general be very difficult to correct unless the specific anomalous event that caused such behavior can be detected early, and any consequence attributed to the specific anomaly following its detection. Substantial investigative time and effort is required to back-track the cause for abnormal behavior and to recreate the event sequence leading to such abnormal behavior. The need to automatically detect anomalous behavior is therefore… More >

Shu-Feng Lee¹, Che-Wun Hong^1,2

CMC-Computers, Materials & Continua, Vol.12, No.3, pp. 223-236, 2009, DOI:10.3970/cmc.2009.012.223

Abstract Solid oxides, such as ceria (CeO₂) doped with cations of lower valance, are potential electrolytes for future solid oxide fuel cells. This is due to the theoretically high ionic conductivity at low operation temperature. This paper investigates the feasibility of two potential electrolytes which are samarium-doped ceria (SDC) and gadolinium-doped ceria (GDC) to replace the traditional yttria-stablized zirconia (YSZ). Molecular simulation techniques were employed to study the influence of different dopant concentrations at different operation temperatures on the ionic conductivity from the atomistic perspective. Simulation results show that the optimized ionic conductivity occurs at 11.11mol% concentration using both dopants of… More >

D. S. Liu¹, C. Y. Tsai¹, S. R. Lyu²

CMC-Computers, Materials & Continua, Vol.11, No.2, pp. 147-164, 2009, DOI:10.3970/cmc.2009.011.147

Abstract This study presents a novel numerical method for extracting the tempe -rature-dependent mechanical properties of the gold and aluminum thin-films. In the proposed approach, molecular dynamics (MD) simulations are performed to establish the load-displacement response of the thin substrate nanoindented at temperatures ranging from 300-900 K. A simple but effective procedure involving genetic algorithm (GA) and finite element method (FEM) is implemented to extract the material constants of the gold and aluminum substrates. The material constants are then used to construct the corresponding stress-strain curve, from which the elastic modulus, yield stress and the tangent modulus of the thin film… More >

Hsien-Chie Cheng¹, Yu-Chen Hsu², Wen-Hwa Chen²

CMC-Computers, Materials & Continua, Vol.11, No.2, pp. 127-146, 2009, DOI:10.3970/cmc.2009.011.127

Abstract Due to the limitation of fabrication technologies nowadays, structural or atomistic defects are often perceived in carbon nanotubes (CNTs) during the manufacturing process. The main goal of the study aims at providing a systematic investigation of the effects of atomistic defects on the nanomechanical properties and fracture behaviors of single-walled CNTs (SWCNTs) using molecular dynamics (MD) simulation. Furthermore, the correlation between local stress distribution and fracture evolution is studied. Key parameters and factors under investigation include the number, type (namely the vacancy and Stone-Wales defects), location and distribution of defects. Results show that the nanomechanical properties of the CNTs, such… More >

Yeau-Ren Jeng¹,Ping-Chi Tsai¹,Guo-Zhe Huang¹, I-Ling Chang¹

CMC-Computers, Materials & Continua, Vol.11, No.2, pp. 109-126, 2009, DOI:10.3970/cmc.2009.011.109

Abstract This study performs a series of Molecular Dynamics (MD) and Molecular Statics (MS) simulations to investigate the mechanical properties of single-walled carbon nanotubes (SWCNTs) under a uniaxial tensile strain. The simulations focus specifically on the effects of the nanotube helicity, the nanotube diameter and the percentage of vacancy defects on the bond length, bond angle and tensile strength of zigzag and armchair SWCNTs. In this study, a good agreement is observed between the MD and MS simulation results for the stress-strain response of the SWCNTs in both the elastic and the plastic deformation regimes. The MS simulations reveal that in… More >

Ching-Chi Hsu¹, Jinn Lin², Yongyut Amaritsakul³, Takalamesar Antonius³, Ching-Kong Chao^3,4

CMC-Computers, Materials & Continua, Vol.11, No.1, pp. 1-14, 2009, DOI:10.3970/cmc.2009.011.001

Abstract Dynamic hip screw and gamma nail have been widely used to treat the patients with proximal femoral fractures, but clinical failures of those implants are still to be found. This study developed three-dimensional finite element models to investigate the biomechanical performances of the implants. Two kinds of commercially available implants (dynamic hip screw and gamma nail) and one newly designed implant (double screw nail) under three kinds of the proximal femoral fractures (neck fracture, subtrochanteric fracture, and subtrochanteric fracture with gap) were evaluated. Double screw nail showed better biomechanical performances than dynamic hip screw and gamma nail. Two commercially available… More >

T. Nishioka¹, S. Tchouikov¹, T. Fujimoto¹

CMC-Computers, Materials & Continua, Vol.3, No.3, pp. 147-154, 2006, DOI:10.3970/cmc.2006.003.147

Abstract In this study, phenomena of multiple branching of dynamically propagating crack are investigated numerically. The complicated paths of cracks propagating in a material are simulated by moving finite element method based on Delaunay automatic triangulation (MFEM BODAT), which was extended for such problems. For evaluation of fracture parameters for propagating and branching cracks switching method of the path independent dynamic J integral was used. Using these techniques the generation phase simulation of multiple dynamic crack branching was performed. Various dynamic fracture parameters, which are almost impossible to obtain by experimental technique alone, were accurately evaluated. More >