Search results for "Bonding process"
showing 2 items of 2 documents
Comparison of various CI treatments for the description of potential curves for the lowest three states of O2
1972
Abstract Various ab initio CI treatments are reported for the 3 Σ − g , 1 Δ g and 1 Σ + g states of O 2 with particular emphasis on the agreement obtained between calculated and experimental results for binding energies and bond distances of these species and also for transition energies between them. The utility of off-center s and p gaussians in describing the bonding process is stressed and the possibility of optimizing the configurations used in the calculations at each internuclear distance is considered.
A Non-Local Mode-I Cohesive Model for Ascending Thoracic Aorta Dissections (ATAD)
2018
This paper presents a non-local interface mechanical model to describe aortic dissection. In this regard, the mode-I debonding problem based on a cohesive zone modeling is endowed with non-local terms to include long-range interactions that are present in multi-layered biological tissue. Such non-local effects are related to the collagen fibers that transmit forces between non-adjacent elements. Numerical simulations are provided with different values of the non-local parameters in order to show the effect of the non-locality during the debonding processes.