Essays about: "relaxation length"

Showing result 1 - 5 of 8 essays containing the words relaxation length.

  1. 1. Theoretical investigation of α-iron chromium carbide (α-Fe/Cr7C3) interfaces

    University essay from Malmö universitet/Institutionen för materialvetenskap och tillämpad matematik (MTM)

    Author : Hussein Al-Hussein; [2023]
    Keywords : Alpha-iron; Chromium carbide; Cr7C3; Fe; Theoretical investigation; Orthorhombic; X-ray diffraction pattern; XRD; VASP; VESTA; Body-centered-cubic; Ferrite; Density functional theory; DFT; Surface relaxation; Simulation; Calculation; Energy relaxation; Slab models; Coherency; Surface energy; Interfacial energy; Alfa-järn; Kromkarbid; Cr7C3; Fe; Teoretisk undersökning; Ortorombisk; Röntgendiffraktion; XRD; VASP; VESTA; Ytenergi; Koherent; Simulering; Beräkning; Järnkarbid; DFT; Täthetsfunktionalanalys;

    Abstract : This master thesis presents a theoretical investigation of the energy and stability of interfaces in iron-carbide compounds, specifically focusing on the α-Fe/Cr7C3 system. The study aims to fill the gap in knowledge regarding the surface energetics of these interfaces using Density Functional Theory (DFT). READ MORE

  3. 2. Content determination of explosive precursors and narcotic salts using 35Cl-nuclear magnetic resonance

    University essay from Örebro universitet/Institutionen för naturvetenskap och teknik

    Author : Sandra Bergqvist; [2023]
    Keywords : Nuclear magnetic resonance NMR ; explosive precursors; narcotic salts; method validation.;

    Abstract : Explosive precursors and narcotic salts are chemicals contributing to an undesirabledevelopment of the Swedish society, both in terms of criminal activities and harm to the environment. Reducing the illegal use of these chemicals is important in the work towards a safer society. READ MORE

  4. 3. Photophysics of the polymer acceptor PF5-Y5 in organic photovoltaics : A first principles theory based study

    University essay from Karlstads universitet/Institutionen för ingenjörsvetenskap och fysik (from 2013)

    Author : Anton Almén; [2022]
    Keywords : PF5-Y5; Non-fullerene-acceptor; NFA; polymer; fundamental; optical; gap; oxidation; reduction; exciton; binding; energy; oligomer; length; PF5-Y5; Non-fullerene-acceptor; NFA; polymer; fundamentalt; optiskt; gap; oxidation; reduktion; exciton; binding; energi; oligomerlängd;

    Abstract : Non-fullerene Acceptors (NFAs) have gathered a great deal of interest for use inorganic photovoltaics (OPVs) due to recent breakthroughs in their power conversion efficiency and other advantages they offer over their Fullerene-based counterparts. In this work, a new promising non-fullerene polymer acceptor, PF5-Y5, have been studied using density functional theory and time-dependent density functional theory; and the effects that oligomer length, geometry relaxation and exchange-correlation interaction has on the exciton binding energies (the difference between optical and fundamental energy gaps) have been investigated. READ MORE

  5. 4. Reinforcement and Bonded Block Modelling

    University essay from Luleå tekniska universitet/Institutionen för samhällsbyggnad och naturresurser

    Author : Georgios Aristeidis Skarvelas; [2021]
    Keywords : Bonded Block Modelling; 3DEC; Tunneling; Reinforcement; Distinct Element Method; Numerical Modelling;

    Abstract : The objective of this master’s thesis is to evaluate the use of Bonded Block Modelling (BBM) in 3DEC software combined with hybrid rock bolts, for three different cases. These cases included the laboratory rock bolt case, the shearing case and the blocky rock mass case. READ MORE

  6. 5. Implementation and testing of an FPT-algorithm for computing the h+ heuristic

    University essay from Linköpings universitet/Artificiell intelligens och integrerade datorsystem

    Author : Niclas Jonsson; [2017]
    Keywords : FPT; hplus; heuristic;

    Abstract : We have implemented and benchmarked an FPT-algorithm, that has two input parameters, k and w besides the input problem instance, which is a planing instance, in this thesis. The algorithm has an exponential running time as a function of these two parameters. READ MORE