Structural Dynamics in Biology: A Bridge Given by Implicit Vibratory Crossed Models

This article proposes a synthesis and contribution at three levels: generation of dynamic equations of shell structures interacting with fluids, reduction of implicit resolution, and cross-applications to aerospace tanks and living systems. The synthesis of the equations is proposed around the four principles of thermodynamics at the level of discrete, structural and digitized systems. The implicit approach envisages an innovative analysis in terms of condensation and digitization, with in particular a perspective towards singular and integral methods. Some illustrations are proposed, in the field of performed research models and also in the fields of educational applications in biodynamics. The proposed bridge links, on one hand, the analytical Lagrange-Feynman’s approach, and on the other hand experimental results obtained in laboratory and numerical experiments obtained with multiphysics software. Finally, the realized models concern conservative and dissipative models for the active and passive control of complex systems, in a unified approach.

All-Atom Direct Folding Simulation for Proteins Using the Accelerated Molecular Dynamics in Implicit Solvent Model

We report the results of protein folding （219M, C34, N36, 2KES, 2KHK） by the method of accelerated molecular dynamics （aMD） at room temperature with the implicit solvent model. Starting from the linear structures, these proteins successfully fold to the native structure in a lO0-ns aMD simulation. In contrast, they are failed under the traditional MD simulation in the same simulation time. Then we find that the lowest root mean square deviations of helix structures from the native structures are 0.36 A, 0.63 A, 0.52 A, 1.1 A and 0.78 A. What is more, native contacts, cluster and free energy analyses show that the results of the aMD method are in accordance with the experiment very well. All analyses show that the aMD can accelerate the simulation process, thus we may apply it to the field of computer aided drug designs.

Static and dynamic finite element analysis of 304 stainless steel rod and wire hot continuous rolling process

Three-dimensional finite element models were developed to analyze 304 stainless steel rod and wire hot continuous rolling process with the help of MSC.Marc software. The entire 30-pass deformation process and the actual parameters of production line were taken into account. Static and dynamic procedures were used to study the continuous rolling process with the aid of the thermo-mechanical coupled FEM of elastic-plasticity. The properties of billets, such as deformation, temperature field and rolling force, were mainly discussed. The simulation results of temperature agree well with the measured values. Comparisons of the analysis results obtained using static implicit method and dynamic implicit method were presented. It is shown that static implicit procedure is more accurate than dynamic implicit procedure and is able to simulate the rolling process with a lower speed, such as a roughing mill. Whereas, dynamic analysis shows a higher efficiency than static analysis and is fit for simulating the rolling process with a higher speed, such as a finishing mill.

Dynamic Phase Field Description on Ductile Fracture Process

In comparison to discrete descriptions of fracture process,the recently proposed phase field methodology averts the numerical tracking strategy of discontinuities in solids,which enables the numerical implement simplification.An implicit finite element formulation based on the diffuse phase field is extended for stable and efficient analysis of complex dynamic fracture process in ductile solids.This exhibited formulation is shown to capture entire range of the characteristics of ductile material presenting J2-plasticity,embracing plasticization,cracks initiation,propagation,branching and merging while fulfilling the basic principle of thermodynamics.Herein,we implement a staggered time integration scheme of the dynamic elasto-plastic phase field method into the commercial finite element code.The numerical performance of the present advanced phase field model has been examined through several classic dynamic fracture benchmarks,and in all cases simulation results are in good agreement with the associated experimental data and other numerical results in previous literature.

Specification of Initial Shapes for Dynamic Implicit Curve/Surface Reconstruction

The dynamic implicit curve/surface reconstruction demands no special requirement on the initial shapes in general. In order to speed up the iteration in the reconstruction, we discuss how to specify the initial shapes so as to reflect the geometric information and the topology structure of the given data. The basic idea is based on the combination of the distance function and the generalized eigenvector fitting model. Keywords Sampson distance, generalized eigenvector fitting, dynamic implicit surface reconstruction