Essays about: "GGA"

Showing result 1 - 5 of 6 essays containing the word GGA.

  1. 1. Tracking climate change adaptation outcomes: Analysis of adaptation planning in UK urban areas

    University essay from Lunds universitet/Avdelningen för Riskhantering och Samhällssäkerhet

    Author : William Lewis; [2023]
    Keywords : Climate Change Adaptation; Urban; Evaluation; Monitoring; Outcomes; Impact; Indicators; Learning; Reporting; MERL; Social Sciences;

    Abstract : As more and more urban areas are planning and responding to climate change there is a need to understand the role that local action is having at the national and international level. The Paris Agreement called for a global goal on adaptation but in practice aggregating progress on adaptation is hard to achieve. READ MORE

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

    University essay from KTH/Tillämpad fysik

    Author : Max Pierre; [2022]
    Keywords : 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;

    Abstract : 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. READ MORE

  4. 3. Atomic Scale Design of Graphene based Gas Sensors

    University essay from Uppsala universitet/Institutionen för informationsteknologi

    Author : Nandini Patra; [2014]
    Keywords : ;

    Abstract : In this project work, we have performed Density Functional Theory (DFT) calculations to study the gas (CO, NO and CO2) sensing mechanism of pure and doped (B, N and B-N) graphenesurfaces. Generalized gradient approximation (GGA-PBE) within projector-augmented  wave (PAW) methodology were adopted to investigate the electronic properties  of such materials. READ MORE

  5. 4. The possibility of using BOD on-line measurement.

    University essay from KTH/VA-teknik, Vatten, Avlopp och Avfall

    Author : Tianzi Zhang; [2012]
    Keywords : BOD; On-line measurement; MFC; Wastewater; Bacteria; Secondary Sedimentation Sludge; Electron; Anode; Cathode; Voltage;

    Abstract : BOD (Biochemical Oxygen Demand) is one of the important parameters in wastewater treatment technology,  it normally takes five days to get the result. Using MFC (Microbial Fuel Cell) to build up a small on-line system to measure BOD will reduce to operating time to 20 minutes. READ MORE

  6. 5. Ab initio piezoelectricity and energy landscape of Y0.375Al0.625N

    University essay from Teoretisk Fysik

    Author : Christopher Tholander; [2011]
    Keywords : ;

    Abstract : There is high industrial demand for materials with a high piezoelectrical response which are stable at high temperatures. A recent study on ScAlN has explained the microscopic origin of the increased piezoelectric response in the alloy and its effect on the energy landscape. Y is a promising candidate to observe the same phenomena. READ MORE