3D numerical simulations of dynamical tensile response of hybrid carbon nanotube(CNT)and SiC nanoparticle reinforced AZ91D magnesium(Mg)based composites considering interface cohesion over a temperature range from 25 ...3D numerical simulations of dynamical tensile response of hybrid carbon nanotube(CNT)and SiC nanoparticle reinforced AZ91D magnesium(Mg)based composites considering interface cohesion over a temperature range from 25 to 300℃ were carried out using a 3D representative volume element(RVE)approach.The simulation predictions were compared with the experimental results.It is clearly shown that the overall dynamic tensile properties of the nanocomposites at different temperatures are improved when the total volume fraction and volume fraction ratio of hybrid CNTs to SiC nanoparticles increase.The overall maximum hybrid effect is achieved when the hybrid volume fraction ratio of CNTs to SiC nanoparticles is in the range from 7:3 to 8:2 under the condition of total volume fraction of 1.0%.The composites present positive strain rate hardening and temperature softening effects under dynamic loading at high temperatures.The simulation results are in good agreement with the experimental data.展开更多
In this paper, numerical method is used als. A typical unit of masonry is selected to serve merical model of RVE is established with detailed to study the strain rate effect on masonry materias a representative volume...In this paper, numerical method is used als. A typical unit of masonry is selected to serve merical model of RVE is established with detailed to study the strain rate effect on masonry materias a representative volume element （RVE）. Nudistinctive modeling of brick and mortar with their respective dynamic material properties obtained from laboratory tests. The behavior of brick and mortar are characterized by a dynamic damage model that accounts for rate-sensitive and pressuredependent properties of masonry materials. Dynamic loads of different loading rates are applied to RVE. The equivalent homogenized uniaxial compressive strength, threshold strain and elastic modulus in three directions of the masonry are derived from the simulated responses of the RVE. The strain rate effect on the masonry material with clay brick and mortar, such as the dynamic increase factor （DIF） of the ultimate strength and elastic modulus as a function of strain rate are derived from the numerical results.展开更多
Binding and releasing ligands are critical for the biological functions of many proteins,so it is important to determine these highly dynamic processes.Although there are experimental techniques to determine the struc...Binding and releasing ligands are critical for the biological functions of many proteins,so it is important to determine these highly dynamic processes.Although there are experimental techniques to determine the structure of a protein-ligand complex,it only provides a static picture of the system.With the rapid increase of computing power and improved algorithms,molecular dynamics(MD)simulations have diverse of superiority in probing the binding and release process.However,it remains a great challenge to overcome the time and length scales when the system becomes large.This work presents an enhanced sampling tool for ligand binding and release,which is based on iterative multiple independent MD simulations guided by contacts formed between the ligand and the protein.From the simulation results on adenylate kinase,we observe the process of ligand binding and release while the conventional MD simulations at the same time scale cannot.展开更多
Introduction In the United States, there are about 17.6 million patients suffer from symptomatic coronary artery disease （CAD）, affecting 7.9% of adults ≥ 20 years of age.1 An estimated 10.2 million patients have ...Introduction In the United States, there are about 17.6 million patients suffer from symptomatic coronary artery disease （CAD）, affecting 7.9% of adults ≥ 20 years of age.1 An estimated 10.2 million patients have angina, and 500,000 patients will develop new angina pectoris each year. 1 A subset of angina patients are categorized as refractory when symptoms continue despite optimal medical therapy and revascularization.Routine daily activities become impossible without experiencing chest pain in this patient population.2展开更多
基金The authors are grateful for the financial supports from the National Natural Science Foundation of China(11672055,11272072).
文摘3D numerical simulations of dynamical tensile response of hybrid carbon nanotube(CNT)and SiC nanoparticle reinforced AZ91D magnesium(Mg)based composites considering interface cohesion over a temperature range from 25 to 300℃ were carried out using a 3D representative volume element(RVE)approach.The simulation predictions were compared with the experimental results.It is clearly shown that the overall dynamic tensile properties of the nanocomposites at different temperatures are improved when the total volume fraction and volume fraction ratio of hybrid CNTs to SiC nanoparticles increase.The overall maximum hybrid effect is achieved when the hybrid volume fraction ratio of CNTs to SiC nanoparticles is in the range from 7:3 to 8:2 under the condition of total volume fraction of 1.0%.The composites present positive strain rate hardening and temperature softening effects under dynamic loading at high temperatures.The simulation results are in good agreement with the experimental data.
基金Supported by Australia Research Council(No.DP0451966)
文摘In this paper, numerical method is used als. A typical unit of masonry is selected to serve merical model of RVE is established with detailed to study the strain rate effect on masonry materias a representative volume element （RVE）. Nudistinctive modeling of brick and mortar with their respective dynamic material properties obtained from laboratory tests. The behavior of brick and mortar are characterized by a dynamic damage model that accounts for rate-sensitive and pressuredependent properties of masonry materials. Dynamic loads of different loading rates are applied to RVE. The equivalent homogenized uniaxial compressive strength, threshold strain and elastic modulus in three directions of the masonry are derived from the simulated responses of the RVE. The strain rate effect on the masonry material with clay brick and mortar, such as the dynamic increase factor （DIF） of the ultimate strength and elastic modulus as a function of strain rate are derived from the numerical results.
基金supported by the National Natural Science Foundation of China(No.91953101)the Strategic Priority Research Program of the Chinese Academy of Science(XDB37040202)the Hefei National Science Center Pilot Project Funds,and the New Concept Medical Research Fund of USTC。
文摘Binding and releasing ligands are critical for the biological functions of many proteins,so it is important to determine these highly dynamic processes.Although there are experimental techniques to determine the structure of a protein-ligand complex,it only provides a static picture of the system.With the rapid increase of computing power and improved algorithms,molecular dynamics(MD)simulations have diverse of superiority in probing the binding and release process.However,it remains a great challenge to overcome the time and length scales when the system becomes large.This work presents an enhanced sampling tool for ligand binding and release,which is based on iterative multiple independent MD simulations guided by contacts formed between the ligand and the protein.From the simulation results on adenylate kinase,we observe the process of ligand binding and release while the conventional MD simulations at the same time scale cannot.
文摘Introduction In the United States, there are about 17.6 million patients suffer from symptomatic coronary artery disease （CAD）, affecting 7.9% of adults ≥ 20 years of age.1 An estimated 10.2 million patients have angina, and 500,000 patients will develop new angina pectoris each year. 1 A subset of angina patients are categorized as refractory when symptoms continue despite optimal medical therapy and revascularization.Routine daily activities become impossible without experiencing chest pain in this patient population.2
