Total Energy and Force Calculations with the LMTO Method

1989 ◽  
pp. 1-13 ◽  
Author(s):  
O. K. Andersen ◽  
M. Methfessel ◽  
C. O. Rodriguez ◽  
P. Blöchl ◽  
H. M. Polatoglou
Keyword(s):  
Total Energy ◽  
Lmto Method

scholarly journals Theoretical and Experimental Studies on the C15 Intermetallic Compound NbCr2

1994 ◽  
Vol 364 ◽  
Author(s):  
F. Chu ◽  
D. J. Thoma ◽  
Y. He ◽  
T. E. Mitchell ◽  
S. P. Chen ◽  
...  
Keyword(s):  
Total Energy ◽  
Elastic Moduli ◽  
Experimental Studies ◽  
Atomic Sphere ◽  
Solubility Range ◽  
Volume Curve ◽  
Lmto Method ◽  
Sphere Approximation ◽  
Structure Density ◽  
Theoretical Results

AbstractThe electronic structure and total energy of the C15 NbCr2 phase have been calculated using the linear muffin-tin orbital (LMTO) method with the atomic sphere approximation (ASA). The total energy vs. volume curve, band structure, density of states and Fermi surface were obtained. The calculated results were used to examine several features of the C15 phase, including the elastic properties, phase formation and stability, and solubility range of the C15 phase. The theoretical results are compared to experimental studies on NbCr2 For example, the elastic moduli, phase stability, and homogeneity range have been determined with a variety of experimental techniques. Comparison of the experimental and theoretical results will be discussed.

CARBON FOOTPRINT ASSESSMENT AT UNIVERSITI TEKNOLOGI MARA SERI ISKANDAR CAMPUS, MALAYSIA

2017 ◽  
Vol 2 (1) ◽  
pp. 59
Author(s):  
Nor Izana Mohd Shobri ◽  
Wan Noor Anira Hj Wan Ali ◽  
Norizan Mt Akhir ◽  
Siti Rasidah Md Sakip
Keyword(s):  
Total Energy ◽  
Carbon Footprint ◽  
Electrical Power ◽  
Total Carbon ◽  
Green House ◽  
Green House Gas ◽  
Carbon Footprint Assessment ◽  
The University ◽  
Electrical Consumption

The purpose of this study is to assess the carbon footprint emission at UiTM Perak, Seri Iskandar Campus. The assessment focuses on electrical power and transportation usage. Questionnaires were distributed to the staffs and students to survey their transportation usage in the year 2014 while for electrical consumption, the study used total energy consumed in the year 2014. Data was calculating with the formula by Green House Gas Protocol. Total carbon footprint produced by UiTM Perak, Seri Jskandar Campus in the year 2014 is 11842.09 MTC02' The result of the study is hoped to provide strategies for the university to reduce the carbon footprint emission.

The construction of compatible hydrodynamics algorithms in multiple dimensions utilizing conservation of total energy

1999 ◽  
Author(s):  
E. Caramana ◽  
D. Burton ◽  
C. Rousculp ◽  
M. Shashkov ◽  
P. Whalen
Keyword(s):  
Total Energy ◽  
Multiple Dimensions

Assessing maximal allowable levels for simultaneous skin and eyes exposure to laser irradiation of various wavelengths

2019 ◽  
pp. 35-38
Author(s):  
Boris N. Rakhmanov ◽  
Vladimir I. Kezik ◽  
Vladimir T. Kibovsky ◽  
Valentin M. Ponomarev
Keyword(s):  
Total Energy ◽  
Laser Irradiation ◽  
Customs Union ◽  
Economic Community ◽  
Laser Safety ◽  
Numerical Examples ◽  
Allowable Level ◽  
Correct Formula

Introduction.Evidences prove falseness of formula determining maximal allowable level of total energy of laser irradiation in case when eyes or skin are simultaneously exposed to several irradiation sources with various wavelengths. The formula was mentioned in actual «Sanitary rules and regulations for lasers construction and exploitation» Nо 5804–91 and in SanPiN 2.2.4.3359–16, that in a part of VIII section «Laser irradiation atworkplace» are latest acting regulation document on laser safety. SanPiN 2.2.4.13–2–2006 of Belarus Republic and regulation document Nо 299 of Customs Union Commission of Eurasia Economic Community on 28/05/2010 appeared to contain other, more correct formula determining the same maximal allowable level.Objectivewas to improve regulation basis in laser safety by correcting mistakes made previously in regulation documents.Deducing formulae.The article presents thorough and consistent deducing a formula to determine total energy of laser irradiation in case when eyes or skin are simultaneously and jointly exposed to several irradiation sources with various wavelengths. The efforts resulted in the formula that agreed with formulae presented in the regulation document on laser safety of Belarus Republic and in the regulation document Nо 299 of Customs Union Commission of Eurasia Economic Community on 28/05/2010.Discussion.Correctness of the obtained formula is supported by numerical examples and by comparison with other formulae used in regulation documents on hygienic regulation of other acting factors.Conclusion.Results of the work are summarized, and emphasis is made on its value for solving problems of improving regulation basis for laser safety.

FOOD CONSUMPTION OF CHILDREN AGED 1 TO 5 IN PHUOC VINH WARD, HUE CITY BY 24 HOURS FOOD RECORDING

2015 ◽  
pp. 153-161
Author(s):  
Thi Bach Yen Hoang ◽  
Thi Hai Pham ◽  
Dinh Tuyen Hoang ◽  
Thi Huong Le ◽  
Van Thang Vo
Keyword(s):  
Total Energy ◽  
Food Consumption ◽  
Economic Status ◽  
Cross Sectional Study ◽  
Food Groups ◽  
Food Record ◽  
Related Factors ◽  
Cross Sectional ◽  
Food Consumption Survey ◽  
Food Consumed

Food consumption survey is an essential parts of nutrition surveys. It helps to determine the type and quantity of food consumed, assessing the balance of the diet, the relationship between nutrient intake and health, diseases, and economic status, culture society... There are many methods to investigate food consumption. 24-hour food record is a method that record all food consumed by the subject during previous 24 hours. Using this method in chidren helps to assess the their diet to see if it responses the demand in order to have proper nutrition. Objectives: 1. Calculating the number of each food groups consumed within 24 hours of children 1 to 5 years in Phuoc Vinh ward, Hue City; 2. Assessing the quality of their diet and some related factors. Methodology: A cross-sectional study was implemented on 200 pairs of children aged 1 to 5 and parents or caregivers living in Phuoc Vinh ward, Hue city and some related factors. Results: 82% of the children’s diets covered 4 food groups. Prevalence of glucide, protein, lipide out of the total energy intake were 44.1%, 19.5%, 36.3% respectively within group of 12-<48 months and 50%, 19.5%, 30.6% respectively within group of 48-<72 months. Total energy and protein intake were higher than demanded (p <0.05) while glucide and lipide were lower than demanded (p <0.05). Economical status of family was significant associated with variety of food (all 4 food groups) in the diet of children (p <0.05) and total energy consumed (p <0.05). Conclusion: The children did not have proper nutrition so further research need to be implemented to have suitable interventions. Key words: 24 hours food records, children aged 1 to 5, Hue city.

Sign in / Sign up

Export Citation Format

Share Document