Monte Carlo simulation of interface alloying

An Ising-like model, with interactions ranging up to next-nearest-neighbor pairs, is used to simulate the process of interface alloying. Interactions are chosen to stabilize an intermediate "antiferromagnetic" ordered structure. The dynamics proceeds exclusively by atom-vacancy exchanges. In order to characterize the process, the time evolution of the width of the intermediate ordered region and the diffusion length is studied. Both lengths are found to follow a power-law evolution with exponents depending on the characteristic features of the model.

Freezing of 4He and its liquid-solid interface from density functional theory

We show that, at high densities, fully variational solutions of solidlike types can be obtained from a density functional formalism originally designed for liquid 4He . Motivated by this finding, we propose an extension of the method that accurately describes the solid phase and the freezing transition of liquid 4He at zero temperature. The density profile of the interface between liquid and the (0001) surface of the 4He crystal is also investigated, and its surface energy evaluated. The interfacial tension is found to be in semiquantitative agreement with experiments and with other microscopic calculations. This opens the possibility to use unbiased density functional (DF) methods to study highly nonhomogeneous systems, like 4He interacting with strongly attractive impurities and/or substrates, or the nucleation of the solid phase in the metastable liquid.

MgO/Ag(001) interface structure and STM images from first principles

The interface of MgO/Ag(001) has been studied with density functional theory applied to slabs. We have found that regular MgO films show a small adhesion to the silver substrate, the binding can be increased in off-stoichiometric regimes, either by the presence of O vacancies at the oxide film or by a small excess of O atoms at the interface between the ceramic to the metal. By means of theoretical methods, the scanning tunneling microscopy signatures of these films is also analyzed in some detail. For defect free deposits containing 1 or 2 ML and at low voltages, tunnelling takes place from the surface Ag substrate, and at large positive voltages Mg atoms are imaged. If defects, oxygen vacancies, are present on the surface of the oxide they introduce much easier channels for tunnelling resulting in big protrusions and controlling the shape of the image, the extra O stored at the interface can also be detected for very thin films.

Influence of Interface Surface Geometries In The Tensile Characteristics Of Friction Welded Joints From Aluminium Alloys

Friction welding is a solid state joining process that produces coalescence in materials, using the heat developed between surfaces through a combination of mechanical induced rubbing motion and applied load. In rotary friction welding technique heat is generated by the conversion of mechanical energy into thermal energy at the interface of the work pieces during rotation under pressure. Traditionally friction welding is carried out on a dedicated machine because of its adaptability to mass production. In the present work, steps were made to modify a conventional lathe to rotary friction welding set up to obtain friction welding with different interface surface geometries at two different speeds and to carry out tensile characteristic studies. The surface geometries welded include flat-flat, flat-tapered, tapered-tapered, concave-convex and convex-convex. A comparison of maximum load, breaking load and percentage elongation of different welded geometries has been realized through this project. The maximum load and breaking load were found to be highest for weld formed between rotating flat and stationary tapered at 500RPM and the values were 19.219kN and 14.28 kN respectively. The percentage elongation was found to be highest for weld formed between rotating flat and stationary flat at 500RPM and the value was 21.4%. Hence from the studies it is cleared that process parameter like “interfacing surface geometries” of weld specimens have strong influence on tensile characteristics of friction welded joints

A crack on the interface of piezo-electric bodies

Singularities of elastic and electric fields are investigated at the tip of a crack on the interface of two anisotropic piezo-electric media under various boundary conditions on the crack surfaces. The Griffith formulae are obtained for increments of energy functionals due to growth of the crack and the notion of the energy release matrix is introduced. Normalization conditions for bases of singular solution are proposed to adapt them to the energy, stress, and deformation fracture criteria. Connections between these bases are determined and additional properties of the deformation basis related to the notion of electric surface enthalpy are established.

Squeezed thermal phonons precurse nonthermal melting of silicon as a function of fluence

A femtosecond-laser pulse can induce ultrafast nonthermal melting of various materials along pathways that are inaccessible under thermodynamic conditions, but it is not known whether there is any structural modification at fluences just below the melting threshold. Here, we show for silicon that in this regime the room-temperature phonons become thermally squeezed, which is a process that has not been reported before in this material. We find that the origin of this effect is the sudden femtosecond-laser-induced softening of interatomic bonds, which can also be described in terms of a modification of the potential energy surface. We further find in ab initio molecular-dynamics simulations on laser-excited potential energy surfaces that the atoms move in the same directions during the first stages of nonthermal melting and thermal phonon squeezing. Our results demonstrate how femtosecond-laser-induced coherent fluctuations precurse complete atomic disordering as a function of fluence. The common underlying bond-softening mechanism indicates that this relation between thermal squeezing and nonthermal melting is not material specific.

Interface issues in the ESCHER visual database editor

Presentation at the 1997 Dagstuhl Seminar "Evaluation of Multimedia Information Retrieval", Norbert Fuhr, Keith van Rijsbergen, Alan F. Smeaton (eds.), Dagstuhl Seminar Report 175, 14.04. - 18.04.97 (9716). - Abstract: This presentation will introduce ESCHER, a database editor which supports visualization in non-standard applications in engineering, science, tourism and the entertainment industry. It was originally based on the extended nested relational data model and is currently extended to include object-relational properties like inheritance, object types, integrity constraints and methods. It serves as a research platform into areas such as multimedia and visual information systems, QBE-like queries, computer-supported concurrent work (CSCW) and novel storage techniques. In its role as a Visual Information System, a database editor must support browsing and navigation. ESCHER provides this access to data by means of so called fingers. They generalize the cursor paradigm in graphical and text editors. On the graphical display, a finger is reflected by a colored area which corresponds to the object a finger is currently pointing at. In a table more than one finger may point to objects, one of which is the active finger and is used for navigating through the table. The talk will mostly concentrate on giving examples for this type of navigation and will discuss some of the architectural needs for fast object traversal and display. ESCHER is available as public domain software from our ftp site in Kassel. The portable C source can be easily compiled for any machine running UNIX and OSF/Motif, in particular our working environments IBM RS/6000 and Intel-based LINUX systems. A porting to Tcl/Tk is under way.

Excitation of Phonons in Solids and Nanostructures by Intense Laser and XUV Pulses and by Low Energy Atomic Collision

Intensive, ultrakurze Laserpulse regen Festkörper in einen Zustand an, in dem die Elektronen hohe Temperaturen erlangen, während das Gitter kalt bleibt. Die heißen Elektronen beeinflussen das sog. Laser-angeregte interatomare Potential bzw. die Potentialenergiefläche, auf der die Ionen sich bewegen. Dieses kann neben anderen ultrakurzen Prozessen zu Änderungen der Phononfrequenzen (phonon softening oder phonon hardening) führen. Viele ultrakurze strukturelle Phänomene in Festkörpern hängen bei hohen Laseranregungen von Änderungen der Phononfrequenzen bei niedrigeren Anregungen ab. Um die Laser-bedingten Änderungen des Phononenspektrums von Festkörpern beschreiben zu können, haben wir ein auf Temperatur-abhängiger Dichtefunktionaltheorie basierendes Verfahren entwickelt. Die dramatischen Änderungen nach einer Laseranregung in der Potentialenergiefläche werden durch die starke Veränderung der Zustandsdichte und der Besetzungen der Elektronen hervorgerufen. Diese Änderungen in der Zustandsdichte und den Besetzungszahlen können wir mit unserer Methode berechnen, um dann damit das Verhalten der Phononen nach einer Laseranregung zu analysieren. Auf diese Art und Weise studierten wir den Einfluss einer Anregung mit einem intensiven, ultrakurzen Laserpuls auf repräsentative Phonon Eigenmoden in Magnesium, Kupfer und Aluminium. Wir stellten dabei in manchen Gitterschwingungen entweder eine Abnahme (softening) und in anderen eine Zunahme (hardening) der Eigenfrequenz fest. Manche Moden zeigten bei Variation der Laseranregungsstärke sogar beide Verhaltensweisen. Das eine Phonon-Eigenmode ein hardening und softening zeigen kann, wird durch das Vorhandensein von van Hove Singularitäten in der elektronischen Zustandsdichte des betrachteten Materials erklärt. Für diesen Fall stellt unser Verfahren zusammen mit der Sommerfeld-Entwicklung die Eigenschaften der Festkörper Vibrationen in Verbindung mit den Laser induzierten Veränderungen in den elektronischen Besetzungen für verschiedene Phonon-eingefrorene Atomkonfigurationen. Auch die absolute Größe des softening und hardening wurde berechnet. Wir nehmen an, dass unsere Theorie Licht in die Effekte der Laseranregung von verschiedenen Materialien bringt. Außerdem studierten wir mit Hilfe von Dichtefunktionaltheorie die strukturellen Material-Eigenschaften, die durch kurze XUV Pulse induziert werden. Warme dichte Materie in Ultrakurzpuls angeregten Magnesium wurde analysiert und verglichen mit den Ergebnissen bei durch Laser Anregung bedingten Änderungen. Unter Verwendung von elektronischer-Temperatur-abhängiger Dichtefunktionaltheorie wurden die Änderungen in den Bindungseigenschaften von warmen dichten Magnesium studiert. Wir stellten dabei beide Effekte, Verstärkung und Abschwächung von Bindungen, bei jeweils verschiedenen Phonon Eigenmoden von Magnesium auf Grund von der Erzeugung von Rumpflöchern und dem Vorhandensein von heißen Elektronen fest. Die zusätzliche Erzeugung von heißen Elektronen führt zu einer Änderung der Bindungscharakteristik, die der Änderung, die durch die bereits vorhandenen Rumpflöcher hervorgerufen wurde, entgegen wirkt. Die thermischen Eigenschaften von Nanostrukturen sind teilweise sehr wichtig für elektronische Bauteile. Wir studierten hier ebenfalls den Effekt einer einzelnen Graphen Lage auf Kupfer. Dazu untersuchten wir mit Dichtefunktionaltheorie die strukturellen- und Schwingungseigenschaften von Graphen auf einem Kupfer Substrat. Wir zeigen, dass die schwache Wechselwirkung zwischen Graphen und Kupfer die Frequenz der aus der Ebene gerichteten akustischen Phonon Eigenmode anhebt und die Entartung zwischen den aus der Ebene gerichteten akustischen und optischen Phononen im K-Punkt des Graphen Spektrums aufhebt. Zusätzlich führten wir ab initio Berechnungen zur inelastischen Streuung eines Helium Atoms mit Graphen auf einem Kuper(111) Substrat durch. Wir berechneten dazu das Leistungsspektrum, das uns eine Idee über die verschiedenen Gitterschwingungen des Graphene-Kuper(111) Systems gibt, die durch die Kollision des Helium Atom angeregt werden. Wir brachten die Positionen der Peaks im Leistungsspektrum mit den Phonon Eigenfrequenzen, die wir aus den statischen Rechnungen erhalten haben, in Beziehung. Unsere Ergebnisse werden auch verglichen mit den Ergebnissen experimenteller Daten zur Helium Streuung an Graphen-Kupfer(111) Oberflächen.

Pi: A Parallel Architecture Interface for Multi-Model Execution

This thesis defines Pi, a parallel architecture interface that separates model and machine issues, allowing them to be addressed independently. This provides greater flexibility for both the model and machine builder. Pi addresses a set of common parallel model requirements including low latency communication, fast task switching, low cost synchronization, efficient storage management, the ability to exploit locality, and efficient support for sequential code. Since Pi provides generic parallel operations, it can efficiently support many parallel programming models including hybrids of existing models. Pi also forms a basis of comparison for architectural components.

An Immersed Interface Method for the Incompressible Navier-Stokes Equations in Irregular Domains

We present an immersed interface method for the incompressible Navier Stokes equations capable of handling rigid immersed boundaries. The immersed boundary is represented by a set of Lagrangian control points. In order to guarantee that the no-slip condition on the boundary is satisfied, singular forces are applied on the fluid at the immersed boundary. The forces are related to the jumps in pressure and the jumps in the derivatives of both pressure and velocity, and are interpolated using cubic splines. The strength of singular forces is determined by solving a small system of equations at each time step. The Navier-Stokes equations are discretized on a staggered Cartesian grid by a second order accurate projection method for pressure and velocity.

Lecture 15 - Interface this

A quick word about abstract How a class interfaces Making Pets The Deadly Diamond of Death Interfaces (not interfaces)

Diseño de una interface entre un programa de cálculo simbólico y un programa CAD : aplicación al caso de modelado geométrico y modelado de caras.

El objetivo de este trabajo es el diseño de una interface entre un programa de cálculo simbólico y uno de CAD y su aplicación al caso de modelado geométrico y modelado de caras. El libro, se divide en tres capítulos: curvas en 2D, curvas en 3D y superficies. Dado que existen programas de cálculo simbólico que representan sus curvas, resultará favorable captar el fichero de puntos producido por dicho programa y, con los tratamientos convenientes, transformarlo en una lista susceptible de ser leída desde un programa CAD, los puntos trasvasados serán los vértices de una polilínea que posteriormente adaptada representará la curva en cuestión. Y, siguiendo un proceso análogo, también será posible obtener el fichero de puntos de una superficie. Para desarrollar esta aplicación, se ha elegido como programa de cálculo simbólico Maple V2, y como programa CAD, AUTOCAD V12.

Activitats de matemàtiques del grup Interface. 'Actividades de matemáticas del grupo Interface'.

Nueve paquetes de actividades para Windows para ciclo superior de Primaria. Se trabajan medidas de capacidad y longitud y masa, fracciones, enteros y porcentajes entre otros contenidos. Las actividades se basan en ejercicios visuales y problemas. Permite instalar el programa o hacer una copia en un disquete.

Orientaçoes para o design da interface de software educativo multimédia. 'Orientaciones para el diseño de un interfaz de software educativo multimedia'.

Conocer qué desafíos se fijan los creadores de software educativo multimedia, qué tipo de comunicación debemos establecer entre el usuario y el ordenador para que sus exploraciones desemboquen en situaciones de aprendizaje y cómo favorecer la realización de software adecuado a la naturaleza del proceso educativo en las cuales las características de accesibilidad, transparencia, atractivo, claridad de objetivos educativos y la realización de actividades, contribuyen a una mayor interactividad del hombre con la máquina. Se utilizó la investigación por compilación, con compilación documental, por entrevista y por encuesta, y la investigación documental, utilizando fuentes primarias y secundarias de información para esbozar la evolución, tendencias y orientaciones de diseño de interfaces. La investigación empírica se divide en dos estudios, el primero abordó la cuestión del nivel de conocimientos y la utilización del software educativo por parte de los maestros de Educación infantil y profesores de primaria y, el segundo, tenía como objetivo confeccionar una lista de orientaciones para el diseño de interfaces, a partir de aspectos estudiados en el marco teórico, y a partir de los cuales se diseñó una tabla de evaluación de interfaces de software educativo multimedia. El estudio se llevó a cabo con maestros y profesores de primaria que asistían al curso complementario de formación en la Escuela Superior de Educación de Fafe durante los años 1999-2000, 2000-2001, 2001-2002. Se elaboró una tabla de evaluación de interfaces destinado a los realizadores de software educativo que sirve para controlar la calidad del interfaz. Los docentes a pesar de conocer algún que otro software educativo disponible en el mercado, su uso en el contexto educativo es poco frecuente. Los profesores que estuvieron ligados a proyectos con prácticas en ordenador o que realizaron acciones de formación en Nuevas Tecnologías conocen y recurren más al software educativo.