Sökning: "effective-medium theory"

Visar resultat 1 - 5 av 18 avhandlingar innehållade orden effective-medium theory.

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

   Författare :Uno Yxklinten; Chalmers tekniska högskola; []
   Nyckelord :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;

   Sammanfattning : .... LÄS MER

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

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

   Sammanfattning : .... LÄS MER

4. 3. Electronic effects at metallic surfaces and interfaces : image-state formation and charge redistribution

   Författare :Stella Papadia; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; effective-medium theory; charge redistribution; heat of solution; multiple-reflection; LDA; density-functional theory; image-state; image-potential-induced resonance; LMTO-ASA; exchange-corelation potential; jellium; metallic superlattices;

   Sammanfattning : .... LÄS MER

5. 4. VO2-based Thermochromic and Nanothermochromic Materials for Energy-Efficient Windows : Computational and Experimental Studies

   Författare :Shuyi Li; Claes-Göran Granqvist; Gunnar Niklasson; Ivan Parkin; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; VO2; thermochromism; nanothermochromics; energy efficient windows; optical modeling; effective medium theory; thin film characterization; doping;

   Sammanfattning : VO2-based films are thermochromic and exhibit high or low infrared transmittance when the temperature is below or above a critical temperature. The thermochromic switching is passive and reversible, and therefore VO2 based films are promising for energy-efficient window appli­cations. LÄS MER

7. 5. Interatomic total-energy potentials for atomistic simulations of metallic systems

   Författare :Jan Hartford; Chalmers tekniska högskola; []
   Nyckelord :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;

   Sammanfattning : .... LÄS MER