Sökning: "Potential Energy Surface"

Visar resultat 6 - 10 av 511 avhandlingar innehållade orden Potential Energy Surface.

1. 6. Adsorption of surface active elements on the iron (100) surface : A study based on ab initio calculations

   Författare :Weimin Cao; Seshadri Seetharaman; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; sulfur; oxygen; surface adsorption; iron surface; ab initio calculations; adsorption energy; work function; difference charge density; thermodynamic stability; average velocity; Materials science; Teknisk materialvetenskap;

   Sammanfattning : In the present work, the structural, electronic properties, thermodynamic stability and adatom surface movements of oxygen and sulfur adsorption on the Fe surface were studied based on the ab initio method. Firstly, the oxygen adsorbed on the iron (100) surface is investigated at the three adsorption sites top, bridge and hollow sites, respectively. LÄS MER

3. 7. Reduction of heat transfer and heat load in internal combustion engines

   Författare :Joop Somhorst; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; efficiency; TBC; thermal barrier coating; surface roughness; engine; heat transfer; emissions; alumina; zirconia;

   Sammanfattning : Thermal insulation of the combustion chamber in an engine has great potential to reduce fuel consumption and CO2 emissions. Research on thermal barrier coatings (TBC) has been performed since the early eighties to address this potential. LÄS MER

4. 8. Calculated Potential Energy Surfaces and Vibrational Analysis

   Författare :Niclas Forsberg; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Benzene; HCO; NEMO; Imaginary Level Shift; Double Harmonic Approximation; Potential Energy Surface; CASPT2; Franck-Condon Factors; CASSCF; p-Benzosemiquinone; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi;

   Sammanfattning : The focus of this thesis is on the calculation of potential energy surfaces and on the study of vibrational properties. For example: - We have developed a new method for calculation of Franck-Condon factors. - We have calculated full energy surfaces of the ground (X2A’) the excited (B2A’) states of the formyl radical. LÄS MER

5. 9. Thermal insulation of the combustion chamber in a light duty diesel engine

   Författare :Joop Somhorst; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; temperature swing; crevice effect.; porosity; heat transfer; surface roughness; efficiency; diesel engine; surface sealing; thermal barrier coating;

   Sammanfattning : Reduction of heat loss from the combustion chamber in an engine has great potential to decrease fuel consumption and CO2 emissions. Research on thermal barrier coatings (TBC) has been performed since the early eighties to address this potential. LÄS MER

7. 10. Soft Intelligence : Liquids Matter in Compliant Microsystems

   Författare :Seung Hee Jeong; Zhigang Wu; Zhi-Bin Zhang; Michael D. Dickey; Uppsala universitet; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Liquid; Elastomer; Cross-linking; Liquid alloy; PDMS; Adaptability; Compliance; Interface; Patterning; Printing; Surface energy; Wetting; Composite; Modulus; Stretchability; Viscoelasticity; Thermal conductivity; Contact resistance; Adhesion; Packaging; Integration; Microsystems; Microfluidics; Strain sensor; Thermoelectrics; Inductive coupling; Wireless communication; Stretchable electron-ics; Epidermal electronics; Skin electronics; Soft robotics; Wearable electronics; Teknisk fysik med inriktning mot mikrosystemteknik; Engineering Science with specialization in Microsystems Technology; Engineering Science with specialization in Materials Science; Teknisk fysik med inriktning mot materialvetenskap;

   Sammanfattning : Soft matter, here, liquids and polymers, have adaptability to a surrounding geometry. They intrinsically have advantageous characteristics from a mechanical perspective, such as flowing and wetting on surrounding surfaces, giving compliant, conformal and deformable behavior. LÄS MER