scholarly journals Role of nonspherical double counting in DFT+DMFT: Total energy and structural optimization of pnictide superconductors

2018 ◽  
Vol 97 (20) ◽  
Author(s):  
Oleg Kristanovski ◽  
Alexander B. Shick ◽  
Frank Lechermann ◽  
Alexander I. Lichtenstein
2019 ◽  
Vol 76 (Suppl 1) ◽  
pp. A71.2-A71
Author(s):  
Pierluigi Cocco

IntroductionPhysical activity is known to convey protection against several cancers, but results on risk of lymphoma and its subtypes have been inconsistent. A possible reason might be confounding by workplace exposures associated with occupational energy expenditure, which was not considered in studies of recreational physical activity. It is also unclear whether energy expenditure acts directly, or through preventing obesity.ObjectivesTo investigate the role of energy expenditure, including occupational and recreational physical activity, on risk of lymphoma subtypes.Materials and methodsBased on questionnaire information on lifetime recreational physical activity and lifetime occupational history available for all participants to the multicenter EpiLymph case-control study, we estimated energy expenditure at work by occupational ISCO68 code, and we applied it to the work histories of study subjects. We also categorized hours of lifetime recreational physical activity into quartiles. We calculated risk of lymphoma subtypes with unconditional polytomous regression analysis, associated with increasing categories of lifetime energy expenditure at work (EEW), increasing categories of recreational physical activity (RPA), and their interaction term (total energy expenditure, TEE), adjusting by age, gender, education, body mass index (BMI), and history of farm work and solvents use.ResultsRisk of lymphoma overall, diffuse large B cell lymphoma and multiple myeloma was not associated with EEW, RPA and TEE. Risk of follicular lymphoma and chronic lymphocytic leukemia associated were elevated with medium and high EEW (OR 3.1, 95% CI 1.5–6.1; (OR 2.5 95% CI 1.2–5.1, respectively), but there was not a significant upward trend.ConclusionsFurther epidemiologic and mechanistic research is warranted to assess the role of physical activity in the etiology of lymphoma subtypes. New standardized energy expenditure assessment methods, as the ones herein developed, might contribute to a better understanding of the nature of the observed inconsistent findings.


Author(s):  
D. J. Miller

SynopsisThe main features of energy demand in Scotland are described and compared, in respect of total energy use and the shares supplied by the different fuels, with the figures for the United Kingdom and other countries. Recent trends in demand are examined to illustrate how the present position has been reached and factors likely to influence each fuel's share in the future are outlined. The role of the energy industries themselves is discussed and the scope for new initiatives by these industries indicated.


2017 ◽  
Vol 2017 ◽  
pp. 1-7 ◽  
Author(s):  
Ana Marija Milat ◽  
Ivana Mudnić ◽  
Ivica Grković ◽  
Nikola Ključević ◽  
Mia Grga ◽  
...  

Introduction. Effects of white wine and the role of wine polyphenols on weight gain in rats of different age were examined in the 4-week-voluntary-consumption trial.Methods and Materials. Biochemically characterized standard (low polyphenols, W) and macerated (high polyphenolic content, PW) white wines were compared. One- and three-month-old Sprague-Dawley male rats (n=78) were used. Each age group was subdivided into water-only-drinking controls (C), W, and PW-drinking animals. Daily wine and total liquid consumption, food intake, and body weight were measured, and energy intake and feed efficiency index were calculated.Results. In both age categories, wine-drinking animals consumed less food and gained less weight in comparison to C (181 ± 2, 179 ± 6, and 201 ± 5 in younger animals and 32 ± 5, 28 ± 6, and 47 ± 4 grams in older animals, resp.), regardless of wine type. Total energy intake was the lowest in PW-drinking animals.Conclusion. Wine-drinking animals gained less weight in comparison to C, regardless of the wines’ polyphenol content. Although our results are indicative of the major role of nonphenolic constituents of the wines (probably ethanol), the modifying role of wine phenolics on weight gain cannot be excluded as the group consuming PW had lower total energy intake than other groups.


1979 ◽  
Vol 92 (1) ◽  
pp. 1-14 ◽  
Author(s):  
R. A. Cairns

Parallel flows with step function velocity and density profiles can support waves which have negative energy, in the sense that exciting them lowers the total energy of the system. A number of instabilities can occur because of the coexistence of positive and negative energy waves, or because of the damping of negative energy waves; some particular examples are discussed to show how appreciation of this role of negative energy waves allows one to predict the existence of instability before doing any detailed analysis, and to gain insight into the instability mechanism.


2003 ◽  
Vol 49 (2) ◽  
pp. 120-124 ◽  
Author(s):  
Hoby Hasina RAFAMANTANANTSOA ◽  
Naoyuki EBINE ◽  
Mayumi YOSHIOKA ◽  
Yutaka YOSHITAKE ◽  
Hiroaki TANAKA ◽  
...  

2019 ◽  
Vol 61 (12) ◽  
pp. 2488
Author(s):  
В.Г. Заводинский ◽  
О.А. Горкуша

The electronic structure and total energy of the Ti2AlC, Ti2AlN, Ti2SiC, and Ti2SiN compounds are investigated by methods of the density functional theory and pseudopotentials. Electron state density curves have been constructed for crystal systems and for systems differing in order. It has been shown that even in completely disordered systems there is a qualitative similarity of the electronic structure with an electronic structure of the respective crystalline compounds. This similarity is further enhanced as the degree of ordering increases. The total energy of the studied systems grows with increasing disorderance in about the same way for all studied systems except Ti2SiC. In the latter case, it turns out to be much more sensitive to the degree of disordering, which seems to be due to the greater role of the covalent component of interatomic bonds.


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