Search for dissertations about: "TOTAL-ENERGY"

Showing result 1 - 5 of 200 swedish dissertations containing the word TOTAL-ENERGY.

  2. 1. Total-energy calculations with the effective-medium theory

    Author : Uno Yxklinten; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; oxygen; subsurface site; total-energy calculations; force-dipole tensor; effective-medium theory; elastic properties; hydrogen; chemisorption; three-fold site; magnesium; adsorbate; aluminium;

    Abstract : .... READ MORE

  4. 2. Total Energy Calculations for Predictive Modeling of Crystalline Materials Strength

    Author : Jan Hartford; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : Materials properties depend on phenomena in a hierarchical order from atomic to macroscopic scales. This thesis studies possibilities for electron-structure and total-energy calculations to provide results that are valuable for the modeling of crystalline materials strength. READ MORE

  5. 3. Interactions of molecules and solids within the density-functional theory

    Author : Ylva Andersson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; exchange-correlation energy; heteroepitaxy; effective-medium theory; van der Waals interactions; total energy; density-functional theory;

    Abstract : .... READ MORE

  6. 4. Interatomic total-energy potentials for atomistic simulations of metallic systems

    Author : Jan Hartford; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; materials science; atom-in-jellium; atomistic approaches; DFT; GGA-PW91; density functional; effective medium theory; EMT; inhomogeneous electron gas; model potential; generalized gradient approximation;

    Abstract : .... READ MORE

  7. 5. Aspects of nutrition in geriatric patients - Especially dietary assessment, intake and requirements

    Author : Mats Persson Lintrup; Geriatrik; []
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Validity.; Total energy expenditure; Reproducibility; Malnutrition; Geriatric patients; Fluid intake; Energy requirements; Doubly labelled water; Diet records; Aged; Dietary intake; Nutrition; Näringslära; Social medicine; Socialmedicin; samhällsmedicin;

    Abstract : The aim of this thesis was to develop and test the feasibility of a dietary record routine, where nursing staff assess the patient’s food and fluid intake based on standardised portion sizes and household measurements. The energy intake (EI) was studied with a dietary record in 61 geriatric patients. READ MORE