Shouqin Lü¹, Mian Long^1,2

Molecular & Cellular Biomechanics, Vol.2, No.4, pp. 161-178, 2005, DOI:10.3970/mcb.2005.002.161

Abstract Selectin-ligand interactions are crucial to such biological processes as inflammatory cascade or tumor metastasis. How transient formation and dissociation of selectin-ligand bonds in blood flow are coupled to molecular conformation at atomic level, however, has not been well understood. In this study, steered molecular dynamics (SMD) simulations were used to elucidate the intramolecular and intermolecular conformational evolutions involved in forced dissociation of three selectin-ligand systems: the construct consisting of P-selectin lectin (Lec) and epidermal growth factor (EGF)-like domains (P-LE) interacting with synthesized sulfoglycopeptide or SGP-3, P-LE with sialyl Lewis X (sLe^X), and E-LE with sLe^X. SMD… More >

Wenzhong Tang¹, Suresh G. Advani¹

CMES-Computer Modeling in Engineering & Sciences, Vol.8, No.2, pp. 165-176, 2005, DOI:10.3970/cmes.2005.008.165

Abstract An optimization method is proposed to simulate the motion of long flexible fibers in shear flow. The fiber is modeled as spheres connected by massless rigid rods and ball-socket joints. The optimization method is mathematically justified and used to obtain the position of a fiber at the next time step from its current position. Results for a single fiber in simple shear flow agree well with those reported in the literature. The usefulness of the method is demonstrated by simulating the motion of two interactive fibers subjected to shear flow field, and by studying the More >

D. Soares Jr.¹, W.J. Mansur^1,2

CMES-Computer Modeling in Engineering & Sciences, Vol.8, No.2, pp. 153-164, 2005, DOI:10.3970/cmes.2005.008.153

Abstract A coupling procedure is described to perform time-domain numerical analyses of dynamic fluid-structure interaction. The fluid sub-domains, where acoustic waves propagate, are modeled by the Boundary Element Method (BEM), which is quite suitable to deal with linear homogeneous unbounded domain problems. The Finite Element Method (FEM), on the other hand, models the structure sub-domains, adopting a time marching scheme based on implicit Green's functions. The BEM/FEM coupling algorithm here developed is very efficient, eliminating the drawbacks of standard and iterative coupling procedures. Stability and accuracy features are improved by the adoption of different time steps More >

Toshihisa Nishioka ¹,

CMES-Computer Modeling in Engineering & Sciences, Vol.10, No.3, pp. 209-216, 2005, DOI:10.3970/cmes.2005.010.209

Abstract Recent Advances in Numerical Simulation Technologies for Various Dynamic Fracture Phenomena are summarized. First, the basic concepts of fracture simulations are explained together with pertinent simulation results. Next, Examples of dynamic fracture simulations are presented. More >

R. Matsumoto, M. Nakagaki

CMES-Computer Modeling in Engineering & Sciences, Vol.10, No.3, pp. 187-198, 2005, DOI:10.3970/cmes.2005.010.187

Abstract Large-scale molecular dynamics simulations of tensile deformation of amorphous metals containing a nano-crystalline particle were performed in order to clarify the effects of particle size and crystal volume fraction on the deformation mechanism and strength. It became clear that particle size has very little effect, while crystal volume fraction has a substantial influence. Elastic modulus and flow stress intensify as crystal volume fraction increases. Furthermore, the stress in the crystal phase continues to increase, even after yielding in the amorphous phase. Consequently, work-hardening effects appear, preventing localization of plastic deformation. Thus, the dispersed nano-crystalline particles… More >

R.L. Huston¹, C.-Q. Liu²

CMES-Computer Modeling in Engineering & Sciences, Vol.10, No.2, pp. 143-152, 2005, DOI:10.3970/cmes.2005.010.143

Abstract This paper presents a summary of recent developments in computational methods for multibody dynamics analyses. The developments are presented within the context of an automated numerical analysis. The intent of the paper is to provide a basis for the easy development of computational algorithms. The principal concepts discussed are: differentiation algorithms, partial velocities and partial angular velocities, generalized speeds, Euler parameters, Kane's equations, orthogonal complement arrays, lower body arrays and accuracy testing functions. More >

J. Bahen¹, O. Gaber¹, K. Behdinan², J. De Beer³, P. Zalzal⁴, M. Papini¹, M. Z. Saghir¹

FDMP-Fluid Dynamics & Materials Processing, Vol.1, No.4, pp. 343-352, 2005, DOI:10.3970/fdmp.2005.001.343

Abstract The penetration of the reamer into the medullary cavity can be compared to a piston entering a cylinder filled with viscous fluid. When the flutes of the reamer are clogged with bone debris, fat and marrow, the piston effect is magnified and larger pressures are usually obtained. This paper considers a reamer with clogged flutes and investigates whether the rotation speed of the reamer has a significant influence on the pressure within the intramedullary cavity. The effect of reamer rotation speed on the pressure distribution within the bone is investigated numerically by solving the full More >

M.H. Djavareshkian¹

FDMP-Fluid Dynamics & Materials Processing, Vol.1, No.4, pp. 329-342, 2005, DOI:10.3970/fdmp.2005.001.329

Abstract A pressure-based Euler scheme, based on a collocated grid arrangement is described. The newly developed algorithm has two new prominent features: (i) the use of normalized variables to bound the convective fluxes and (ii) the use of a high-resolution scheme in calculating interface density values to enhance the shock-capturing property of the algorithm. The algorithm is first tested for flows at different Mach numbers ranging from subsonic to supersonic on a bump in a channel geometry; then the results are compared with the corresponding ones obtained without the bounded scheme in the correction step. The More >

K. Sefiane¹

FDMP-Fluid Dynamics & Materials Processing, Vol.1, No.3, pp. 267-276, 2005, DOI:10.3970/fdmp.2005.001.267

Abstract In this paper the experimental results on the wetting behaviour of volatile binary sessile drops are reported. The evaporation rate is varied through the control of the ambient total pressure. The dynamic wetting contact angle of an evaporating Water-Ethanol drop is investigated at various sub-atmospheric pressures. The wetting properties (contact angle, shape and volume) are monitored in time using a drop shape analysis instrument. The results show that the evaporation of the binary droplet takes place in two stages: the first stage where the wetting behaviour is very similar to the pure ethanol case and… More >

P. Yu¹, T. S. Lee¹, Y. Zeng¹, H. T. Low²

FDMP-Fluid Dynamics & Materials Processing, Vol.1, No.3, pp. 235-246, 2005, DOI:10.3970/fdmp.2005.001.235

Abstract A numerical model is developed for the investigation of flow field and mass transport in a micro-bioreactor, of working volume below 5 ml, in which medium mixing is generated by a magnetic stirrer-rod rotating on the bottom. The flow-field results show that a recirculation region exists above the stirrer rod and rotates with it; the related fluid mixing is characterized by a circulation coefficient of up to 0.2 which is about five times smaller than that of a one-litre stirred-tank bioreactor. The oxygen transfer coefficient is less than 5 h^-1 which is two orders smaller than… More >