Splitting the Fast and Slow Motions in Molecular Dynamics Simulations Based on the Change of Cold Potential Well Bottom

The atomic motion is coupled by the fast and slow components due to the high frequency vibration of atoms and the low frequency deformation of atomic lattice, respectively. A two-step approximate method was presented to determine the atomic slow motion. The first step is based on the change of the location of the cold potential well bottom and the second step is based on the average of the appropriate slow velocities of the surrounding atoms. The simple tensions of one-dimensional atoms and two-dimensional atoms were performed with the full molecular dynamics simulations. The conjugate gradient method was employed to determine the corresponding location of cold potential well bottom. Results show that our two-step approximate method is appropriate to determine the atomic slow motion under the low strain rate loading. This splitting method may be helpful to develop more efficient molecular modeling methods and simulations pertinent to realistic loading conditions of materials.

Calculating the equation of state parameters and predicting the spinodal curve of isotactic polypropylene/poly(ethylene-co-octene) blend by molecular dynamics simulations combined with Sanchez-Lacombe lattice fluid theory

Molecular dynamics simulations are adopted to calculate the equation of state characteristic parameters P*, rho*, and T* of isotactic polypropylene (iPP) and poly(ethylene-co-octene) (PEOC), which can be further used in the Sanchez-Lacombe lattice fluid theory (SLLFT) to describe the respective physical properties. The calculated T* is a function of the temperature, which was also found in the literature. To solve this problem, we propose a Boltzmann fitting of the data and obtain T* at the high-temperature limit. With these characteristic parameters, the pressure-volume-temperature (PVT) data of iPP and PEOC are predicted by the SLLFT equation of state. To justify the correctness of our results, we also obtain the PVT data for iPP and PEOC by experiments. Good agreement is found between the two sets of data. By integrating the Euler-Lagrange equation and the Cahn-Hilliard relation, we predict the density profiles and the surface tensions for iPP and PEOC, respectively. Furthermore, a recursive method is proposed to obtain the characteristic interaction energy parameter between iPP and PEOC. This method, which does not require fitting to the experimental phase equilibrium data, suggests an alternative way to predict the phase diagrams that are not easily obtained in experiments.

The determination of ethylene-propylene copolymer-grafted-glycidyl methacrylate by the contact angle method

The contact angles theta of some liquids on ethylene-propylene copolymer-grafted-glycidyl methacrylate (EPM-g-GMA) were measured. The critical surface tensions r(c) of EPM-g-GMA were evaluated by the Zisman Plot (cos theta versus r(L)), Young-Dupre-Good-Girifalco plot (1 + cos theta versus 1/r(L)(0.5)) and log (1 + cos theta) versus log(r(L)) plot. The following results were obtained: the r(c) values varied significantly with the estimation methods. The critical surface tension r(c) decreased with the increase of the degree of grafting of EPM-g-GMA.

Contact Sensors for Dexterous Robotic Hands

This thesis examines a tactile sensor and a thermal sensor for use with the Utah-MIT dexterous four fingered hand. Sensory feedback is critical or full utilization of its advanced manipulatory capabilities. The hand itself provides tendon tensions and joint angles information. However, planned control algorithms require more information than these sources can provide. The tactile sensor utilizes capacitive transduction with a novel design based entirely on silicone elastomers. It provides an 8 x 8 array of force cells with 1.9 mm center-to-center spacing. A pressure resolution of 8 significant bits is available over a 0 to 200 grams per square mm range. The thermal sensor measures a material's heat conductivity by radiating heat into an object and measuring the resulting temperature variations. This sensor has a 4 x 4 array of temperature cells with 3.5 mm center-to-center spacing. Experiments show that the thermal sensor can discriminate among material by detecting differences in their thermal conduction properties. Both sensors meet the stringent mounting requirements posed by the Utah-MIT hand. Combining them together to form a sensor with both tactile and thermal capabilities will ultimately be possible. The computational requirements for controlling a sensor equipped dexterous hand are severe. Conventional single processor computers do not provide adequate performance. To overcome these difficulties, a computational architecture based on interconnecting high performance microcomputers and a set of software primitives tailored for sensor driven control has been proposed. The system has been implemented and tested on the Utah-MIT hand. The hand, equipped with tactile and thermal sensors and controlled by its computational architecture, is one of the most advanced robotic manipulatory devices available worldwide. Other ongoing projects will exploit these tools and allow the hand to perform tasks that exceed the capabilities of current generation robots.

Exploring human resource development: a level of analysis approach.

Levels of analysis perform an important function in framing research and practice in human resource development (HRD). The purpose of this paper is to examine the concept of HRD from the individual, organizational and community/societal levels of analysis. The paper highlights both the distinctiveness and usefulness of each level of analysis, identifies tensions within and between them, and outlines differences in underpinning assumptions, characteristics of HRD provision and delivery of HRD interventions. By adopting this approach, the paper draws attention to variations in meaning, intent, content and practice with implications for developing both the theory and practice of HRD.

Kennedy, Johnson and NATO: Britain, America and the Dynamics of Alliance, 1962-68

Priest, Andrew, Kennedy, Johnson and NATO: Britain, America and the Dynamics of Alliance, 1962-68 (New York: Routledge, 2006), wpp.xiv+222 RAE2008

?Minorities with a Message?: The Beveridge Report on Broadcasting (1949?1951) and Wales

Medhurst, J. (2008). 'Minorities with a Message': the Beveridge Report on Broadcasting (1949-51) and Wales. Twentieth Century British History. 19(2), pp.217-233. RAE2008

Sy abl fodd Sibli fain: Sibyl in Medieval Wales

Haycock, Marged, 'Sy abl fodd Sibli fain: Sibyl in Medieval Wales', In: Heroic Poets and Poetic Heroes in Celtic Tradition, Joseph Falaky Nagy and Leslie Ellen Jones (eds), (Dublin: Four Courts Press), pp.115-130, 2005 RAE2008

Pleasure and instruction in the Prologue of Longus’ “Daphnis and Chloe”

The present study attempts to demonstrate that the ancient Greek novel Daphnis and Chloe systematically explores the problem expressed by Horace in the phrase docere et delectare, and that this purpose is announced in the Prologue. The functions of prologues as such are briefly reviewed. After a consideration of the prologues of the remaining ancient Greek novels, the Prologue of Longus’s Daphnis and Chloe is analyzed line by line. Longus uses the Prologue, then, to establish a series of dialectical tensions that operate throughout the novel, allowing it to delight and instruct at the same time.

Napięcia tożsamościowe, tematyczne i formalne w dziele Yasminy Khadry

Wydział Neofilologii Instytut Filologii Romańskiej

Przywództwo Niemiec i Francji w Unii Europejskiej w XXI w. Problemy i wyzwania

Autor w pracy stawia tezę, że „francusko-niemiecki motor” odegrał pozytywną rolę w procesie integracji europejskiej w XX w. Dzięki bliskiej współpracy francusko-niemieckiej możliwa była realizacja unii walutowo-gospodarczej, Wspólna Polityka Zagraniczna i Bezpieczeństwa oraz stworzenie w UE „obszaru wolności, bezpieczeństwa i sprawiedliwości”. W XXI w. trudna sytuacja gospodarcza Francji i napięcia społeczne spowodowały spadek jej znaczenia w Unii Europejskiej. Kryzys finansowy strefy euro oraz problem uchodźców wykreowały Niemcy na samotnego lidera w Unii Europejskiej. Jednakże współpraca francusko-niemiecka nie załamała się, gdyż oba państwa wzajemnie się potrzebują i zapewniają równowagę w Europie. Zdaniem wielu ekspertów, ze względu na ogólne nastroje w Europie, w Berlinie i Paryżu brakuje nowych idei ukazujących perspektywy rozwojowe Unii Europejskiej na najbliższe lata.

No Muslims Allowed? An analysis of the State of Pluralism in the West

Dissertação de Mestrado apresentada à Universidade Fernando Pessoa como parte dos requisitos para obtenção do grau de Mestre em Relações Internacionais com o Mundo Árabe e Islâmico.

Práticas e representações sociais face aos ciganos

Analisando os conflitos entre a comunidade de Oleiros e a minoria étnica cigana, pretendemos compreender a forma como os discursos,os comportamentos e as atitudes dos diversos actores sociais envolvidos neste processo reflectem a existência de tensões na estrutura social oleirense, entrevendo-se que os ciganos se tornam bodes expiatórios das clivagens criadas e de situações sócio-económicas e políticas que os ultrapassam. Analysing the conflicts between the Oleiros community and the gypsies ethnic minority, we aim to understand how the speeches, the behaviours and the attitudes of various social actors involved in this process reflect some tensions in the Oleiros social structure, which allow us to anticipate that the gypsies became a pretext to few created gaps and to socio-economic and politic situations that surpass them.

A Theological Challenge: Coordinating Biological, Social, and Religious Visions of Humanity

This paper attempts two tasks. First, it sketches how the natural sciences (including especially the biological sciences), the social sciences, and the scientific study of religion can be understood to furnish complementary, consonant perspectives on human beings and human groups. This suggests that it is possible to speak of a modern secular interpretation of humanity (MSIH) to which these perspectives contribute (though not without tensions). MSIH is not a comprehensive interpretation of human beings, if only because it adopts a posture of neutrality with regard to the reality of religious objects and the truth of theological claims about them. MSIH is certainly an impressively forceful interpretation, however, and it needs to be reckoned with by any perspective on human life that seeks to insert its truth claims into the arena of public debate. Second, the paper considers two challenges that MSIH poses to specifically theological interpretations of human beings. On the one hand, in spite of its posture of religious neutrality, MSIH is a key element in a class of wider, seemingly antireligious interpretations of humanity, including especially projectionist and illusionist critiques of religion. It is consonance with MSIH that makes these critiques such formidable competitors for traditional theological interpretations of human beings. On the other hand, and taking the religiously neutral posture of MSIH at face value, theological accounts of humanity that seek to coordinate the insights of MSIH with positive religious visions of human life must find ways to overcome or manage such dissonance as arises. The goal of synthesis is defended as important, and strategies for managing these challenges, especially in light of the pluralism of extant philosophical and theological interpretations of human beings, are advocated.

Homosexuality and the United Methodist Church: An Ecclesiological Dilemma

Since 1968 The United Methodist Church has publicly debated the status and roles of homosexual persons in the life of the Church, creating considerable conflict within the Denomination. Academic research on the question of homosexuality and the Church has often focused on theological understandings of homosexuality and on the ways the conflict reflects broader "culture wars" in society. Yet little attention has been given to how the Church's concrete practices and polity toward homosexual persons reflect underlying tensions within the ecclesiological identity of the Denomination. This dissertation proposes that the issue of homosexuality is a critically important case study for exploring the practical ecclesiology of The United Methodist Church. In an effort to identify tensions within contemporary United Methodism's practical ecclesiology, it traces in detail the history of the denominational debate over homosexuality since 1968 and articulates the diverse and often conflicting ecclesiological commitments embedded within that debate. Focusing on the debate itself as a practice of the Church, this dissertation illustrates the ways in which the controversy over sexuality reflects the Denomination's conflicted practical ecclesiology. By examining the rhetoric of the sexuality debates in The United Methodist Church from 1968 to 2008, and by articulating the ecclesiological commitments embedded in those debates, the dissertation reveals a fundamental conflict over interpretations of ecclesial unity. Moreover, the dissertation explores the extent to which the conflict over unity reflects ecclesiological tensions present in John Wesley's own practical ecclesiology; and it asks whether or not contemporary interpretations of United Methodist ecclesiology might provide a normative framework for assessing and resolving the underlying ecclesial conflict at work in sexuality debates. The dissertation concludes by exploring the practice of public narrative as a concrete strategy that might be employed by the Denomination to reconcile the diverging ecclesiological visions within the contemporary church so that a clear and consensual ecclesiology might emerge.