scholarly journals Modeling the role of local crystallographic correlations in microstructures of Ti-6Al-4V using a correlated structure visco-plastic self-consistent polycrystal plasticity formulation

2021 ◽  
Vol 203 ◽  
pp. 116502
Author(s):  
Iftekhar A. Riyad ◽  
William G. Feather ◽  
Evgenii Vasilev ◽  
Ricardo A. Lebensohn ◽  
Brandon A. McWilliams ◽  
...  
2020 ◽  
Author(s):  
Oskar Weser ◽  
Leon Freitag ◽  
Kai Guther ◽  
Ali Alavi ◽  
Giovanni Li Manni

<div>Stochastic-CASSCF and DMRG procedures have been utilized to quantify the role of the electron correlation mechanisms that in a Fe-porphyrin model system are responsible for the differential stabilization of the triplet over the quintet state. Orbital entanglement diagrams and CI-coefficients of the wave function in a localised orbital basis allow for an effective interpretation of the role of charge-transfer configurations. A preliminary version of the <i>Stochastic Generalized Active Space Self-Consistent Field</i> method has been developed and is here introduced to further assess the pi-backdonation stabilizing effect.</div><div>By the new method excitations between metal and ligand orbitals can selectively be removed from the complete CI expansion. It is demonstrated that these excitations are key to the differential stabilization of the triplet, effectively leading to a quantitative measure of the correlation enhanced pi-backdonation.</div><div><br></div>


2018 ◽  
Vol 4 (6) ◽  
pp. eaat1670 ◽  
Author(s):  
Xinde Tao ◽  
Qi Liu ◽  
Bingfeng Miao ◽  
Rui Yu ◽  
Zheng Feng ◽  
...  

2012 ◽  
pp. 787-796 ◽  
Author(s):  
Marko Knezevic ◽  
Rodney J. McCabe ◽  
Ricardo A. Lebensohn ◽  
Carlos N. Tomé ◽  
Bogdan Mihaila

2018 ◽  
Vol 10 (09) ◽  
pp. 1850095 ◽  
Author(s):  
H. Wang ◽  
D. Tang ◽  
D. Y. Li ◽  
Y. H. Peng ◽  
P. D. Wu

Magnesium alloys exhibit significant inelastic behavior during unloading, especially when twinning and detwinning are involved. It is commonly accepted that noteworthy inelastic behavior will be observed during unloading if twinning occurs during previous loading. However, this phenomenon is not always observed for Mg sheets with strong rolled texture. Therefore, the inelasticity of AZ31B rolled sheets with different rolled textures during cyclic loading-unloading are investigated by elastic viscoplastic self-consistent polycrystal plasticity model. The incorporation of the twinning and detwinning model enables the treatment of detwinning, which plays an important role for inelastic behavior during unloading. The effects of texture, deformation history, and especially twinning and detwinning on the inelastic behaviors are carefully investigated and found to be remarkable. The simulated results are in agreement with the available experimental observations, which reveals that the inelastic behavior for strongly rolled sheets is very different than the extruded bars.


2019 ◽  
Vol 9 (7) ◽  
pp. 1471
Author(s):  
Theo van Holten

This paper addresses the long-standing question of how it may be explained that the three charged leptons (the electron, muon and tau particle) have different masses, despite their conformity in other respects. In the field of Emergent Quantum Mechanics non-singular electron models are being revisited, and from this exploration has come a possible answer. In this paper a deformable droplet model is considered. It is shown how the model can be made self-consistent, whilst obeying the laws of momentum and energy conservation as well as Larmor’s radiation law. The droplet appears to have three different static equilibrium configurations, each with a different mass. Tentatively, these three equilibrium masses were assumed to correspond with the measured masses of the charged leptons. The droplet model was tuned accordingly, and was thereby completely quantified. The dynamics of the droplet then showed a “De Broglie-like” relation p = K / λ . Beat patterns in the vibrations of the droplet play the role of the matter waves of usual quantum mechanics. The value of K , calculated by the droplet theory, practically equals Planck’s constant: K ≅ h . This fact seems to confirm the correctness of identifying the three types of charged leptons with the equilibria of a droplet of charge.


2018 ◽  
Vol 181 ◽  
pp. 01009
Author(s):  
Jaroslava Hrtankova ◽  
Jiří Mareš

We report on our recent self-consistent calculations of K− nuclear quasi-bound states using K− optical potentials derived from chirally motivated meson-baryon coupled channels models [1, 2]. The K− single-nucleon potentials were supplemented by a phenomenological K− multi-nucleon interaction term introduced to achieve good fits to K− atom data. We demonstrate a substantial impact of the K− multi-nucleon absorption on the widths of K− nuclear states. If such states ever exist in nuclear many-body systems, their widths are excessively large to allow observation.


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