There is a remarkable difference in stress distribution between a specimen and a plate removed from the specimen.The plate presents a uniform stress distribution whereas the specimen presents a non-uniform stress dist...There is a remarkable difference in stress distribution between a specimen and a plate removed from the specimen.The plate presents a uniform stress distribution whereas the specimen presents a non-uniform stress distribution.Firstly,the real stress distributions in plates with thickness of 30,40 and 50 mm and then in the specimens were obtained through simulation and X-ray surface stress measurement.Secondly,in order to study the impact of specimens shapes and processing ways on the results accuracy,two irregular shapes (parallelogram and trapezoid) and two processing ways (saw and electron discharge machining (EDM)) were compared and analyzed by simulation and experiment using layer removal method,then the specimen effects on measurement results were evaluated.The results show that:1) the non-uniform stress distribution characteristics of the specimen near the surface of the cut is significant,the range of non-uniform stress distribution is approximately one-thickness distance away from the cut,and it decreases gradually along the depth;2) In order to ensure the stability in the results,it is suitable to take the specimen plane size 2-3 times of its thickness;3) Conventional processing methods have little effect on experimental results and the average deviation is less than 5%.展开更多
We extend the recent formulation of the Ewald sum for electrostatics in a two-dimensionally periodic three-dimensional multi- atom layer or two-dimensional single-atom layer system with a rectangular periodic boundary...We extend the recent formulation of the Ewald sum for electrostatics in a two-dimensionally periodic three-dimensional multi- atom layer or two-dimensional single-atom layer system with a rectangular periodic boundary condition （J Chem Theory, Comput, 2014, 10： 534-542） to that with a parallelogrammic periodic boundary condition in general. Following the discussion of an efficient implementation of the formula, we suggest a simple setup of parameters using a relatively smaller screening factor and the associated larger real space cutoff distance to reach an optimized algorithm of an order N computational cost. The connection between the previous application of the Ewald sum to ionic crystal systems and the future application to mo- lecular self-assembly or disassembly systems on solid surfaces or at liquid-liquid interfaces ate illustrated to demonstrate the applicability of the present work to simulate the self-assembly process and to produce dynamical, structural and thermody- namic properties of experimental self-assembly systems of interest.展开更多
基金Project(2005CB623708) supported by the National Basic Research Program of China
文摘There is a remarkable difference in stress distribution between a specimen and a plate removed from the specimen.The plate presents a uniform stress distribution whereas the specimen presents a non-uniform stress distribution.Firstly,the real stress distributions in plates with thickness of 30,40 and 50 mm and then in the specimens were obtained through simulation and X-ray surface stress measurement.Secondly,in order to study the impact of specimens shapes and processing ways on the results accuracy,two irregular shapes (parallelogram and trapezoid) and two processing ways (saw and electron discharge machining (EDM)) were compared and analyzed by simulation and experiment using layer removal method,then the specimen effects on measurement results were evaluated.The results show that:1) the non-uniform stress distribution characteristics of the specimen near the surface of the cut is significant,the range of non-uniform stress distribution is approximately one-thickness distance away from the cut,and it decreases gradually along the depth;2) In order to ensure the stability in the results,it is suitable to take the specimen plane size 2-3 times of its thickness;3) Conventional processing methods have little effect on experimental results and the average deviation is less than 5%.
基金supported by the National Natural Science Foundation of China(91127015,21103063(Z.H.))
文摘We extend the recent formulation of the Ewald sum for electrostatics in a two-dimensionally periodic three-dimensional multi- atom layer or two-dimensional single-atom layer system with a rectangular periodic boundary condition （J Chem Theory, Comput, 2014, 10： 534-542） to that with a parallelogrammic periodic boundary condition in general. Following the discussion of an efficient implementation of the formula, we suggest a simple setup of parameters using a relatively smaller screening factor and the associated larger real space cutoff distance to reach an optimized algorithm of an order N computational cost. The connection between the previous application of the Ewald sum to ionic crystal systems and the future application to mo- lecular self-assembly or disassembly systems on solid surfaces or at liquid-liquid interfaces ate illustrated to demonstrate the applicability of the present work to simulate the self-assembly process and to produce dynamical, structural and thermody- namic properties of experimental self-assembly systems of interest.
