Thermal properties of the orthorhombic CaSnO3 perovskite under pressure from ab initio quasi-harmonic calculations

Made available in DSpace on 2018-12-11T16:41:31Z (GMT). No. of bitstreams: 0 Previous issue date: 2016-02-01Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Structural, elastic and thermodynamic properties of the orthorhombic CaSnO3 perovskite are theoretically investigated at the ab initio level as a function of temperature and pressure. Harmonic and quasi-harmonic lattice dynamical calculations are performed with the Crystal program, by explicitly accounting for thermal expansion effects and by exploring the effect of several DFT functionals. The anisotropic, directional elastic response of the system is characterized up to 20 GPa of pressure. The thermal lattice expansion and elastic bulk modulus are described at simultaneous temperatures up to 2000 K and pressures up to 20 GPa. The Gibbs free energy of formation of CaSnO3 from CaO and SnO2 as a function of temperature is also addressed by means of fully converged phonon dispersion calculations on the three systems.Laboratório de Combustíveis e Materiais INCTMN-UFPB Universidade Federal da ParaíbaGrupo de Modelagem e Simulação Molecular INCTMN-UNESP São Paulo State UniversityDipartimento di Chimica Università di Torino and NIS Nanostructured Interfaces and Surfaces Centre of Excellence, Via Giuria 5Grupo de Modelagem e Simulação Molecular INCTMN-UNESP São Paulo State UniversityFAPESP: 2013/07296-2FAPESP: 2013/19289-

The rehabilitative value of sub-economic housing as illustrated by Schauder Township, Port Elizabeth, Cape Province, Union of South Africa, 1938-1948

[From Introductory discussion]. The modern approach to any sociological problem is characterised by the attempt to analyse the contributory factors in such a way that their inter-active association is clearly discernible. The simple concept of "single cause and effect" is now recognised to be a traversity of social fact. Social Pathology, therefore, may be said to attempt to isolate the multiple factors involved in a given situation, and to endeavour to determine thelr mode of inter-action in order that remedial techniques may be applied effectively. Slum conditions are obviously pathologic, by which it is understood that the environment imposes strains upon the individual to which there is ineffective adjustment. The rehabilitation of such a population would involve the converse process, restoring individuals to a condition where they are able to cope in every respect with the demands of life at their respective class levels. It is very rare indeed that only a single factor is involved in a social pathological condition and for this reason it is quite possible that one- sided efforts at rehabilitation - such as the attempt to re-house ALL slum dwellers in sub-economic houses - have a tendency to increase the pathology in another direction. Rehabilitation must therefore be based on multi-factorial analysis in which allowance is, as far as possible, made for the inter-connection of each of the individual deviations from the normal. The aim of this thesis is to evaluate the effect of good housing conditions on the 2335 Coloured slum families re-housed in sub-economic houses at Schauder Township, Port Elizabeth, from the time that these houses were first available for occupancy