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Visar resultat 1 - 5 av 12 uppsatser som matchar ovanstående sökkriterier.

1. 1. Quantum mechanical modelling and electrochemical stability of sodium based glassy electrolyte for all-solid-state batteries

   Kandidat-uppsats, KTH/Materialvetenskap

   Författare :Carolina Falk; Linnéa Johansson; [2022]
   Nyckelord :Quantum mechanical modelling; solid state batteries; solid electrolyte; glassy electrolyte; density functional theory; electrochemical stability; Kvantmekanisk modellering; solida batterier; fast elektrolyt; elektrokemisk stabilitet;

   Sammanfattning : Increasing energy demand draws attention to new materials for improving current energy storage technologies. Particular interest is directed at solid state batteries and glass Na3ClO electrolyte is a promising candidate. LÄS MER

3. 2. Gossiping electrons : Strong decoherence from screening

   Kandidat-uppsats, Uppsala universitet/Materialteori

   Författare :Felix Langueville; [2022]
   Nyckelord :Quantum mechanics; Decoherence; Quantum decoherence; Screening; Decoherence from screening; quantum entanglement; entangled electrons; Kvantfysik; Dekoherens; Kvantmekanisk sammanflätning; skärmning; Dekoherens från skärmning;

   Sammanfattning : In a strongly correlated material the localized electrons, typically the electrons in the 3d-orbitals, become entangled with each other through the Coulomb interaction. However, these electrons also interact with more mobile (itinerant) electrons in the s- and p-orbitals. LÄS MER

4. 3. First principles DFT study of polyethylene insulation containing chemical impurities - implementing counterpoise correction

   Master-uppsats, KTH/Tillämpad fysik

   Författare :Max Pierre; [2022]
   Nyckelord :Applied physics; HVDC cable; Polymer physics; Polyethylene; Density functional theory; Molecular dynamics; CP2K; GROMAC; Electron traps; Band gaps; Density of states; Tillämpad fysik; HVDC kabel; Polymerfysik; Polyeten; Täthetsfunktionalteori; Molekulärdynamik; CP2K; GROMACS; Elektronfällor; Bandgap; Tillståndstäthet;

   Sammanfattning : Density functional theory (DFT) calculations of polyethylene (PE) HVDC cable insulation have been performed for systems containing four different chemical impurities: acetophenone, cumene, $\alpha$-methyl styrene and $\alpha$-cumyl alcohol. Systems were generated by molecular dynamics (MD) equilibration at four different temperatures relevant for cable insulation applications: 277 K, 293 K, 343 K and 363 K. LÄS MER

5. 4. A Platform for a Wheeler's Delayed-Choice Experiment in Optical Fiber

   Master-uppsats, Linköpings universitet/Informationskodning

   Författare :Gustaf Åhlgren; [2022]
   Nyckelord :Wheeler s delayed choice; wave-particle delayed choice; Sagnac interferometer; Mach-Zehnder interferometer; complementarity relation;

   Sammanfattning : Quantum mechanics has played a big role in the development of our understanding of the smallest things in the universe. It has provided descriptions for phenomena like single electrons or single photons, which are single particles of light. One of the most mysterious properties of quantum systems is the ability to behave as a particle or a wave. LÄS MER

7. 5. Klassisk–kvantmekanisk tidsalternerande metod för simulering av strålningsinducerade defekter i metaller

   Kandidat-uppsats, KTH/Skolan för teknikvetenskap (SCI)

   Författare :Daniel Fransén; [2019]
   Nyckelord :;

   Sammanfattning : Strålskador i metalliska komponenter är oundvikligt för metaller i reaktormiljöer. Den viktigaste materialparametern för beräkningar av strålningsinducerad defektbildning är tröskelenergin för defektbildning, som ofta bestäms genom molekyldynamiksimuleringar (MD) baserade på den empiriska metoden EAM, och nyligen även den kvantmekaniska metoden täthetsfunktionalteori (DFT). LÄS MER