Theoretical study of magnetism, structure and chemical order in transition-metal alloy clusters

Research on transition-metal nanoalloy clusters composed of a few atoms is fascinating by their unusual properties due to the interplay among the structure, chemical order and magnetism. Such nanoalloy clusters, can be used to construct nanometer devices for technological applications by manipulating their remarkable magnetic, chemical and optical properties. Determining the nanoscopic features exhibited by the magnetic alloy clusters signifies the need for a systematic global and local exploration of their potential-energy surface in order to identify all the relevant energetically low-lying magnetic isomers. In this thesis the sampling of the potential-energy surface has been performed by employing the state-of-the-art spin-polarized density-functional theory in combination with graph theory and the basin-hopping global optimization techniques. This combination is vital for a quantitative analysis of the quantum mechanical energetics. The first approach, i.e., spin-polarized density-functional theory together with the graph theory method, is applied to study the Fe$_m$Rh$_n$ and Co$_m$Pd$_n$ clusters having $N = m+n \leq 8$ atoms. We carried out a thorough and systematic sampling of the potential-energy surface by taking into account all possible initial cluster topologies, all different distributions of the two kinds of atoms within the cluster, the entire concentration range between the pure limits, and different initial magnetic configurations such as ferro- and anti-ferromagnetic coupling. The remarkable magnetic properties shown by FeRh and CoPd nanoclusters are attributed to the extremely reduced coordination number together with the charge transfer from 3$d$ to 4$d$ elements. The second approach, i.e., spin-polarized density-functional theory together with the basin-hopping method is applied to study the small Fe$_6$, Fe$_3$Rh$_3$ and Rh$_6$ and the larger Fe$_{13}$, Fe$_6$Rh$_7$ and Rh$_{13}$ clusters as illustrative benchmark systems. This method is able to identify the true ground-state structures of Fe$_6$ and Fe$_3$Rh$_3$ which were not obtained by using the first approach. However, both approaches predict a similar cluster for the ground-state of Rh$_6$. Moreover, the computational time taken by this approach is found to be significantly lower than the first approach. The ground-state structure of Fe$_{13}$ cluster is found to be an icosahedral structure, whereas Rh$_{13}$ and Fe$_6$Rh$_7$ isomers relax into cage-like and layered-like structures, respectively. All the clusters display a remarkable variety of structural and magnetic behaviors. It is observed that the isomers having similar shape with small distortion with respect to each other can exhibit quite different magnetic moments. This has been interpreted as a probable artifact of spin-rotational symmetry breaking introduced by the spin-polarized GGA. The possibility of combining the spin-polarized density-functional theory with some other global optimization techniques such as minima-hopping method could be the next step in this direction. This combination is expected to be an ideal sampling approach having the advantage of avoiding efficiently the search over irrelevant regions of the potential energy surface.

Rural households’ social capital and welfare: A case study of Msinga, KwaZulu-Natal, South Africa

In a household or nations production system, social capital has been recognized as an input having major implications for project design as well as policy development. Using a structured questionnaire, household level data was obtained from a representative sample of 300 rural households in Msinga, KwaZulu-Natal. This study employed the conventional household economic behaviour model under constrained utility maximisation to examine the effect of social capital on the welfare of household, testing the hypothesis that the possession of social capital improves household welfare. The result shows that social capital endowments have a statistically significant positive effect on household welfare, in addition to the some household’s demographic and socio-economic characteristics. The study concluded that, access to social capital among other factors, is very crucial for improved rural household welfare and poverty reduction. It is therefore important for government to have knowledge of existing social groups and networks as this will improve the effectiveness of the present strategies aimed at reducing poverty.

Social Inequality and Social Policy outside the OECD

Almost all Latin American countries are still marked by extreme forms of social inequality – and to an extent, this seems to be the case regardless of national differences in the economic development model or the strength of democracy and the welfare state. Recent research highlights the fact that the heterogeneous labour markets in the region are a key source of inequality. At the same time, there is a strengthening of ‘exclusive’ social policy, which is located at the fault lines of the labour market and is constantly (re-)producing market-mediated disparities. In the last three decades, this type of social policy has even enjoyed democratic legitimacy. These dynamics challenge many of the assumptions guiding social policy and democratic theory, which often attempt to account for the specificities of the region by highlighting the purported flaws of certain policies. We suggest taking a different perspective: social policy in Latin American should not be grasped as a deficient or flawed type of social policy, but as a very successful relation of political domination. ‘Relational social analysis’ locates social policy in the ‘tension zone’ constituted by the requirements of economic reproduction, demands for democratic legitimacy and the relative autonomy of the state. From this vantage point, we will make the relation of domination in question accessible for empirical research. It seems particularly useful for this purpose to examine the recent shifts in the Latin American labour markets, which have undergone numerous reforms. We will examine which mechanisms, institutions and constellations of actors block or activate the potentials of redistribution inherent in such processes of political reform. This will enable us to explore the socio-political field of forces that has been perpetuating the social inequalities in Latin America for generations.

Influencia social y uso del preservativo en la prevención de la transmisión heterosexual del VIH = Social influence and condom use for VIH heterosexual transmission prevention

Se revisan diferentes formas en que la influencia social puede incidir sobre los comportamientos heterosexuales de prevención de la transmisión del VIH de los jóvenes y se presentan los resultados de algunos trabajos de las autoras, así como de otros investigadores, en que se analizan dichas relaciones. Se concluye resaltando: 1) la utilidad clínica de la evaluación de las expectativas de autoeficacia para poder intervenir específicamente en aquellas áreas en que los jóvenes se perciban con menores capacidades para ser preventivos, 2) la relación observada entre el uso de preservativo autoinformado y la creencia en su aceptación por parte de los referentes sociales más cercanos y 3) la conveniencia de que los jóvenes posean suficientes habilidades de comunicación que les permitan negociar con éxito el uso del preservativo y les ayuden a compensar posibles influencias sociales en contra de su empleo

Teams make it work : How team work engagement mediates between social resources and performance in teams

Resumen tomado de la publicaci??n

Achievement goals, social goals, and motivational regulations in physical education settings

Resumen tomado de la publicaci??n

Social Networks and Small World phenomena

Social Networking tools like Facebook yield recognisable small world phenomena, that is particular kinds of social graphs that facilitate particular kinds of interaction and information exchange.

Social Networks and Actors

A discussion about Actor Network Theory

Review: Social Media and Abstract Nouns

The revision slides for our Social Media course, contains major lessons learned throughout the course, and an example exam question (on trust).

On social networks and game theory, some research problems

Seminar given as part of social networking course, to give a brief overview of some applied examples game theory used in social network simulation

Contemporary Social Movements and the Web

Social Movements are decentralising in the modern world. Web 2.0 has driven latency structures in social movements, and made activism more personal than ever before, but it has also introduced the concept of slacktivism. Micro-Macro relationships are becoming important theoretical frameworks for Social Movement research on the Web - has the Global Justice Movement of 1999 become Global Justice Networks in 2013?

Las interacciones organizacionales desde la visión ecológica: el mutualismo

No es requerido en este caso

Social housing and land use planning in Medellin during the period 2006-2011. Steps towards socio economic and residential segregation

This paper presents an approach to the relationship between land use planning and socioeconomic residential segregation, from the location of social housing in Medellin, Colombia, during the period 2006-2011. The first part introduces the land use regulations regarding the location of social housing, identifying ambiguities in the current spatial plan. Next, we present the intersection of  regulatory information and the location of the projects that were under construction during the  study period, highlighting the need to consider the location as an important characteristic of social housing and residential segregation as a phenomenon that must be recognized and worked on land  use planning in our cities.