Research of caged dynamics of clusters center atoms in Pd_(82)Si_(18) amorphous alloy

To date,there is still a lack of a comprehensive explanation for caged dynamics which is regarded as one of the intricate dynamic behaviors in amorphous alloys.This study focuses on Pd_(82)Si_(18)as the research object to further elucidate the underlying mechanism of caged dynamics from multiple perspectives,including the cage's lifetime,atomic local environment,and atomic potential energy.The results reveal that Si atoms exhibit a pronounced cage effect due to the hindrance of Pd atoms,resulting in an anomalous peak in the non-Gaussian parameters.An in-depth investigation was conducted on the caged dynamics differences between fast and slow Si atoms.In comparison to fast Si atoms,slow Si atoms were surrounded by more Pd atoms and occupied lower potential energy states,resulting in smaller diffusion displacements for the slow Si atoms.Concurrently,slow Si atoms tend to be in the centers of smaller clusters with coordination numbers of 9 and 10.During the isothermal relaxation process,clusters with coordination numbers 9 and 10 have longer lifetimes,suggesting that the escape of slow Si atoms from their cages is more challenging.The findings mentioned above hold significant implications for understanding the caged dynamics.

FUNDAMENTAL SOLUTION BASED GRADED ELEMENT MODEL FOR STEADY-STATE HEAT TRANSFER IN FGM

A novel hybrid graded element model is developed in this paper for investigating thermal behavior of functionally graded materials （FGMs）. The model can handle a spatially varying material property field of FGMs. In the proposed approach, a new variational functional is first constructed for generating corresponding finite element model. Then, a graded element is formulated based on two sets of independent temperature fields. One is known as intra-element temperature field defined within the element domain; the other is the so-called frame field defined on the element boundary only. The intra-element temperature field is constructed using the linear combination of fundamental solutions, while the independent frame field is separately used as the boundary interpolation functions of the element to ensure the field continuity over the interelement boundary. Due to the properties of fundamental solutions, the domain integrals appearing in the variational functional can be converted into boundary integrals which can significantly simplify the calculation of generalized element stiffness matrix. The proposed model can simulate the graded material properties naturally due to the use of the graded element in the finite element （FE） model. Moreover, it inherits all the advantages of the hybrid Trefftz finite element method （HT-FEM） over the conventional FEM and boundary element method （BEM）. Finally, several examples are presented to assess the performance of the proposed method, and the obtained numerical results show a good numerical accuracy.