As a subsequent work of previous studies of authors, a new parallel computation approach is proposed to simulate the coupled dynamics of a rigid-flexible multibody system and compressible fluid. In this approach, the smoothed particle hydrodynamics(SPH) method is used to model the compressible fluid, the natural coordinate formulation(NCF) and absolute nodal coordinate formulation(ANCF) are used to model the rigid and flexible bodies, respectively. In order to model the compressible fluid properly and efficiently via SPH method, three measures are taken as follows. The first is to use the Riemann solver to cope with the fluid compressibility, the second is to define virtual particles of SPH to model the dynamic interaction between the fluid and the multibody system, and the third is to impose the boundary conditions of periodical inflow and outflow to reduce the number of SPH particles involved in the computation process. Afterwards, a parallel computation strategy is proposed based on the graphics processing unit(GPU) to detect the neighboring SPH particles and to solve the dynamic equations of SPH particles in order to improve the computation efficiency. Meanwhile, the generalized-alpha algorithm is used to solve the dynamic equations of the multibody system. Finally, four case studies are given to validate the proposed parallel computation approach.
The hot deformation behavior of TC18 alloy at strain rates ranging from 1 9 10-4to 1 9 10-2s-1and temperatures ranging from 25 to 800 °C was studied using a WDW-300 electronic universal testing machine. The relationships between true stress and true strain show that flow stress decreases with the increase of temperature and increases as strain rate increases. The effect of strain rate on the flow stress becomes pronounced at higher temperatures. At room temperature, the river pattern characteristic of brittle fracture and the dimple pattern typical of ductile fracture are found to exist in different regions of fracture surfaces of the samples. An improved constitutive relationship is proposed to accurately describe the flow stress of TC18 by considering the effect of strain. And a microscopic model is also deduced which can link the physical mechanisms to the macroscopic experimental results. A good agreement is obtained between the predictions of the microscopic model and the results of the macroscopic experiment.
Bao-Hua JiaWei-Dong SongHui-Ping TangZhi-Hua WangXiao-Nan MaoJian-Guo Ning
The functions and activities of proteins are closely related to their structures and dynamics,and their interactions with ligands.Knowledge of the mechanistic events of proteins’conformational transitions and interactions with ligands is crucially important to understand the functions and biological activities of proteins and thus to the design of novel inhibitors of the targeted receptor.In this review article,taking two important systems as examples,i.e.,human immunodeficiency virus type 1 protease(HIV-1 PR)and adenylate kinase(AdK),and focusing on the molecular dynamics simulations of the conformational transitions of protein and the protein-ligand association/dissociation,we explain how the conformational transitions of proteins influence the interactions with their ligands,and how the ligands impact the function and dynamics of proteins.These results of structural dynamics of HIV-1 PR and AdK and their interactions with ligands can help to understand the principle of conformational transitions of proteins,or the interactions of ligands to their biological targets,and thus provide meaningful message in chemistry and biology of drug design and discovery.
Biological materials such as bone, tooth, and nacre are load-bearing nanocomposites composed of mineral and protein. Since the mineral crystals often have slender geometry, the nanocomposites are susceptible to buckle under the compressive load. In this paper, we analyze the local buckling behaviors of the nanocomposite structure of the biological materials using a beam-spring model by which we can consider plenty of mineral crystals and their interaction in our analysis compared with existing studies. We show that there is a transition of the buckling behaviors from a local buckling mode to a global one when we continuously increase the aspect ratio of mineral, leading to an increase of the buckling strength which levels off to the strength of the composites reinforced with continuous crystals. We find that the contact condition at the mineral tips has a striking effect on the local buckling mode at small aspect ratio, but the effect diminishes when the aspect ratio is large. Our analyses also show that the staggered arrangement of mineral plays a central role in the stability of the biological nanocomposites.
Under the frame of multibody dynamics, the contact dynamics of elasto-plastic spatial thin beams is numerically studied by using the spatial thin beam elements of absolute nodal coordinate formulation(ANCF). The internal force of the elasto-plastic spatial thin beam element is derived under the assumption that the plastic strain of the beam element depends only on its longitudinal deformation.A new body-fixed local coordinate system is introduced into the spatial thin beam element of ANCF for efficient contact detection in the contact dynamics simulation. The linear isotropic hardening constitutive law is used to describe the elasto-plastic deformation of beam material, and the classical return mapping algorithm is adopted to evaluate the plastic strains. A multi-zone contact approach of thin beams previously proposed by the authors is also introduced to detect the multiple contact zones of beams accurately, and the penalty method is used to compute the normal contact force of thin beams in contact. Four numerical examples are given to demonstrate the applicability and effectiveness of the proposed elasto-plastic spatial thin beam element of ANCF for flexible multibody system dynamics.
