The Ninth INS Workshop on Natural Sciences: Multiscale Modeling and Simulation in Materials Science

Scientific Committee



The 2013 International Workshop on Multiscale Modeling and Simulation in Materials Science will be held April 21 - April 23, 2013, in the Institute of Natural Sciences (Room 601, Pao Yue-Kong Library, North Entrance), Shanghai Jiao Tong University, Shanghai, China.


The last two decades has seen remarkable developments in multi-scale modeling and simulation for materials science. By now, it has become a vibrant and stimulating discipline, with a significant impact on materials science, mechanics and mathematics.

Materials science provides a rich source of problems in various fields of mathematics and mechanics, these problems often have a multi-scale character. For example, multi-scale issues can be raised by purely continuum model such as phase field models and dislocation dynamics. Mathematical techniques such as homogenization and relaxation can be used to transfer information from micro-scale (atomic and/or electronic) structure to macro-scale (continuum) property of materials. Furthermore, analysis of multi-scale computational methods, e.g., atomistic/continuum coupling methods, requires the development of new mathematical and numerical tools. Substantial progress has been made for static problems under the framework of calculus of variation and nonlinear PDEs, while dynamic/evolution problems remain to be a major challenge.

The field of materials science has been and continues to be revolutionized by the availability of experiments and theoretical advances in multi-scale methods based on advanced mathematical methods. For example, the ability to design materials with intricate features on an almost atomistic level calls for a solid theoretical foundation. Greater interdisciplinary participation of materials scientists, mechanical engineers and mathematicians are needed to address fundamental questions related to the development of computational materials simulations and design, to improve the efficiency and reliability and to enhance the predictive power of computation.

Description of the Purpose

  1. Bring together leading experts and local researchers working in the field, and offer the opportunity of in-depth, high-level interactions across traditional disciplinary boundaries.

  2. Promote sustained cross-disciplinary discussion and help incubate collaborative projects, especially for researchers within SJTU.

  3. Help graduate students and young researchers learn recent developments on mathematical materials science and encourage them to get involved in this exciting field.

Invited Participants

Ping Ao Physics, Shanghai Jiao Tong University and University of Washington
Qiang Du Beijing Computational Science Research Center and Pennsylvania State University, USA
Xiujun Han MSE, Shanghai JIao Tong University
Liping He Math, Shanghai Jiao Tong University
Shi Jin Math, Shanghai Jiao Tong University and University of Wisconsin
Ryo Kobayashi Nagoya Institute of Technology, Japan
Frederic Legoll Cermics, Ecole des Ponts ParisTech, France
Tiejun Li Math, Peking University
Yikan Liu University of Tokyo
Lei Lu Shenyang National Laboratory for Materials Science, China
Weidong Luo Physics, Shanghai Jiao Tong University
Martin Mueser Juelich Research Center and University of Saarland, Germany
Christoph Ortner Warwick University, UK
Yue Qi General Motors Research and Development Center, USA
Weiqing Ren National University of Singapore, Singapore
Yao Shen MSE, Shanghai Jiao Tong University
Siqi Shi Zhejiang Sci-Tech University
Haibin Su MSE, Nanyang Technological University, Singapore
Huai Sun Chemistry, Shanghai Jiao Tong University
Hong Sun Physics, Shanghai Jiao Tong University
Yunzhi Wang Ohio State University, USA
Yang Xiang The Hong Kong University of Science and Technology, Hong Kong, China
Zhijian Yang Math, Wuhan University
Pingwen Zhang Math, Peking Univeristy

Program ( and abstract )

Sunday Monday Tuesday
9:00-9:40 Shi Jin (SJTU): Semiclassical computational methods for quantum dynamics with band-crossing LeiLu(CAS,Shenyang): Mechanical properties of Cu with preferentially orientated nanoscale twins Yunzhi Wang (Ohio State): Modeling transformation and deformation in structural and functional materials
9:40-10:20 Christoph Ortner (Warwick): Optimising Multiscale Defect Simulations Weidong Luo (SJTU): Massive Dirac surface states in topological insulator/magnetic insulator heterostructures Qiang Du (Penn State): Effective Phase Field Modeling and Simulation of Nucleation and Growth
10:40-11:20 Yang Xiang (HKUST): Continuum models for dislocation structure, energy and dynamics of dislocation arrays and low angle grain boundaries Hong Sun (SJTU): Ideal Strength and Structural Instability of Aluminum at Finite Temperatures Haibin Su (NTU): Multiscale Modeling on Electroactive Materials
11:20-12:00 Ryo Kobayashi (Nagoya): Hydrogen Effects on Dislocation Motion in BCC Iron: Hybrid Quantum and Classical Simulation Huai Sun (SJTU): Force fields and Simulation Methods in Predictions of Adsorption Siqi Shi (Zhejiang): Direct Calculation of Li-ion Transport in the Solid Electrolyte Interphase
2:00-2:40 Pingwen Zhang (Peking): The Small Deborah Number Limit of the Doi-Onsager Equation to the Ericksen-Leslie Equation Martin Mueser (Juerich): Modeling the dielectric response of atomistic and continuous media with the split-charge method Notice: * The Monday afternoon session will start 15 minutes earlier
2:40-3:20 Zhijian Yang (Wuhan): Interface condition for the wave propagation in nonuniform meshes Weiqing Ren (NUS): Wetting transition on rough surfaces
3:40-4:20 Ping Ao (SJTU): Two Topics on Multiple Scale Modeling: dynamics of topological defects in physics and energy-like function in stochastic processes in biology Frederic Legoll (ENPC): Effective dynamics for slow (and not so slow) reaction coordinates
4:20-5:00 Liping He (SJTU): The Semi-Implicity Prediction-Correction Spectral Method for Two Dimensional Cahn-Hilliard Equation Tiejun Li (Peking): Transition path, Quasi-potential Energy Landscape and Robustness of Genetic Switches
5:00-5:20 Yikan Liu (Tokyo): On a class of multiple hyperbolic systems modeling the phase transformation kinetics

How to Arrive

Directions to INS: http://ins.sjtu.edu.cn/for-vistors/arrive.html


Academic Activities Center
Academic Activities Center of Shanghai Jiao Tong University
(86-21)54740800, 800 Dongchuan RD. Minhang District,Shanghai, China