Parametric study on single shot peening by dimensional analysis method incorporated with finite element method

Shot peening is a widely used surface treatment method by generating compressive residual stress near the surface of metallic materials to increase fatigue life and re- sistance to corrosion fatigue, cracking, etc. Compressive re- sidual stress and dent profile are important factors to eval- uate the effectiveness of shot peening process. In this pa- per, the influence of dimensionless parameters on maximum compressive residual stress and maximum depth of the dent were investigated. Firstly, dimensionless relations of pro- cessing parameters that affect the maximum compressive residual stress and the maximum depth of the dent were de- duced by dimensional analysis method. Secondly, the in- fluence of each dimensionless parameter on dimensionless variables was investigated by the finite element method. Fur- thermore, related empirical formulas were given for each di- mensionless parameter based on the simulation results. Fi- nally, comparison was made and good agreement was found between the simulation results and the empirical formula, which shows that a useful approach is provided in this pa- per for analyzing the influence of each individual parameter.

A New Many-Body Expansion Scheme for Atomic Clusters:Application to Nitrogen Clusters

Although the many-body expansion(MBE)approach is widely applied to estimate the energy of large systems containing weak interactions,it is inapplicable to calculating the energies of covalent or metal clusters.In this work,we propose an interaction manybody expansion(IMBE)to calculate the energy of atomic clusters containing covalent bonds.In this approach,the energy of a system is expressed as the sum of the energy of atoms and the interaction energy between the atom and its surrounding atoms.The IMBE method is first applied to calculate the energies of nitrogen clusters,in which the interatomic interactions are truncated to four-body terms.The results show that the IMBE approach could significantly reduce the energy error for nitrogen clusters compared with the traditional MBE method.The weak size and structure dependence of the IMBE error with respect to DFT calculations indicates the IMBE method has good potential application in estimating energy of large covalent systems.

Understanding Rotational Mode Specificity in the O（3P）+CHD3→OH+CD3 Reaction by Simple Reactant Alignment Pictures

The mode specificity plays an important role in understanding the fundamental reaction dynamics. This work reports a theoretical study of the rotational mode specificity of the reactant CHD3(JK) in the prototypical hydrocarbon oxidation reaction O(3P)+CHD3→OH+CD3. The time-dependent quantum wave packet method combined with a seven-dimensional reduced model is employed to calculate the reaction probability on an accurate potential energy surface. The obtained reaction probability depends on the values of both K and Ktot with PKtot=K=0>PKtot=K=J>PKtot=J,K=0=PKtot=0,K=J. This observation can be well rationalized by the reactant alignment pictures. Rotational excitations of CHD3 up to the angular momentum quantum number J=4 have a very weak enhancement effect on the reaction except for the state (J=4, K=0). In addition, the rotationally excited states of CHD3 with K=0 promote the reaction more than those with K=J. The quantum dynamics calculations indicate that the K=0 enhancements are mainly caused by the contributions from the components with K=Ktot=0. The components correspond to the tumbling rotation of CHD3, which enlarges the range of the reactive initial attack angles.