scholarly journals Local volume effects in the generalized pseudopotential theory

2019 ◽  
Vol 99 (21) ◽  
Author(s):  
Guy C. G. Skinner ◽  
Anthony T. Paxton ◽  
John A. Moriarty
2014 ◽  
Vol 10 (6) ◽  
pp. 2843-2852
Author(s):  
Sujeet Kumar Chatterjee ◽  
Lokesh Chandra Prasad ◽  
Ajaya Bhattarai

The observed asymmetric behaviour of mixing of  NaCd liquid alloys around equiatomic composition with smaller negative values for free energy of mixing at compound forming concentration, i.e. GMXS = -4.9KJ at Ccd =0.66 has  aroused our interest to undertake a theoretical investigation of this system.A simple statistical mechanical theory based on compound formation model has been used to investigate the energetics of formation of intermetallic compound Cd2Na in the melt through the study of entropy of mixing.Besides, the interionic interactions between component atoms Na and Cd of the alloys have been understood through the study of interionic pair potential фij(r), calculated from pseudopotential theory in the light of CF model.Our study of фij(r) suggest that the effective interaction between Na-Na atoms decreases on alloying with Cd atom, being minimum for compound forming alloy( Cd 0.66 Na 0.34 ).The nearest neighbor distance between Na-Na atoms does not alter on alloying. Like wise Na-Na,  effective interaction between  Cd-Cd atom decreases from pure state to NaCd alloys, being smaller at compound forming  concentration Cd 0.66 Na 0.34.The computed values of SM from pseudopotential theory are positive at all concentrations, but the agreement between theory and experimental is not satisfactory. This might be happening due to parameterisation of σ3 and Ψcompound.


1983 ◽  
Vol 47 (6) ◽  
pp. 1265 ◽  
Author(s):  
H. M. Hassan ◽  
A. W. Warrick ◽  
A. Amoozegar-Fard

1986 ◽  
Vol 59 (2) ◽  
pp. 319 ◽  
Author(s):  
Theoharry Grammatikos ◽  
Anthony Saunders

2021 ◽  
Vol 2021 (7) ◽  
Author(s):  
Andrey Yu. Kotov ◽  
Daniel Nogradi ◽  
Kalman K. Szabo ◽  
Lorinc Szikszai

Abstract In previous work, [arXiv:1905.01909], we have calculated the mϱ/fπ ratio in the chiral and continuum limit for SU(3) gauge theory coupled to Nf = 2, 3, 4, 5, 6 fermions in the fundamental representation. The main result was that this ratio displays no statistically significant Nf-dependence. In the present work we continue the study of the Nf-dependence by extending the simulations to Nf = 7, 8, 9, 10. Along the way we also study in detail the Nf-dependence of finite volume effects on low energy observables and a particular translational symmetry breaking unphysical, lattice artefact phase specific to staggered fermions.


2021 ◽  
Vol 1106 (1) ◽  
pp. 012015
Author(s):  
Mohd Fahmi Mohd Yusof ◽  
Nor Amalyna Ghazali ◽  
Ummi Solehah Ab Ghani ◽  
Ahmad Thaifur Khaizul ◽  
Puteri Nor Khatijah Abd Hamid

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Nicholas D’Cruz ◽  
Griet Vervoort ◽  
Sima Chalavi ◽  
Bauke W. Dijkstra ◽  
Moran Gilat ◽  
...  

AbstractThe onset of freezing of gait (FOG) in Parkinson’s disease (PD) is a critical milestone, marked by a higher risk of falls and reduced quality of life. FOG is associated with alterations in subcortical neural circuits, yet no study has assessed whether subcortical morphology can predict the onset of clinical FOG. In this prospective multimodal neuroimaging cohort study, we performed vertex-based analysis of grey matter morphology in fifty-seven individuals with PD at study entry and two years later. We also explored the behavioral correlates and resting-state functional connectivity related to these local volume differences. At study entry, we found that freezers (N = 12) and persons who developed FOG during the course of the study (converters) (N = 9) showed local inflations in bilateral thalamus in contrast to persons who did not (non-converters) (N = 36). Longitudinally, converters (N = 7) also showed local inflation in the left thalamus, as compared to non-converters (N = 36). A model including sex, daily levodopa equivalent dose, and local thalamic inflation predicted conversion with good accuracy (AUC: 0.87, sensitivity: 88.9%, specificity: 77.8%). Exploratory analyses showed that local thalamic inflations were associated with larger medial thalamic sub-nuclei volumes and better cognitive performance. Resting-state analyses further revealed that converters had stronger thalamo-cortical coupling with limbic and cognitive regions pre-conversion, with a marked reduction in coupling over the two years. Finally, validation using the PPMI cohort suggested FOG-specific non-linear evolution of thalamic local volume. These findings provide markers of, and deeper insights into conversion to FOG, which may foster earlier intervention and better mobility for persons with PD.


1995 ◽  
Vol 33 (7) ◽  
pp. 1085-1096 ◽  
Author(s):  
Nan-Jie Deng ◽  
Yun-Zhu Luo ◽  
Siriporn Tanodekaew ◽  
Nicole Bingham ◽  
David Attwood ◽  
...  

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