Mechanical annealing of metallic electrodes at the atomic scale

The process of creating an atomically defined and robust metallic tip is described and quantified using measurements of contact conductance between gold electrodes and numerical simulations. Our experiments show how the same conductance behavior can be obtained for hundreds of cycles of formation and rupture of the nanocontact by limiting the indentation depth between the two electrodes up to a conductance value of approximately 5G0 in the case of gold. This phenomenon is rationalized using molecular dynamics simulations together with density functional theory transport calculations which show how, after repeated indentations (mechanical annealing), the two metallic electrodes are shaped into tips of reproducible structure. These results provide a crucial insight into fundamental aspects relevant to nanotribology or scanning probe microscopies.

Mechanical, electrical, and magnetic properties of Ni nanocontacts

The dynamic deformation upon stretching of Ni nanowires as those formed with mechanically controllable break junctions or with a scanning tunneling microscope is studied both experimentally and theoretically. Molecular dynamics simulations of the breaking process are performed. In addition, and in order to compare with experiments, we also compute the transport properties in the last stages before failure using the first-principles implementation of Landauer's formalism included in our transport package ALACANT.

Creación de experiencias virtuales en física nuclear

El estudio de la radiactividad y su influencia en los seres vivos es un tema fundamental para la formación de los alumnos de los grados en Biología y Ciencias del Mar, y por lo tanto aparece incluido en el plan de estudios de la asignatura de Física de las dos carreras anteriormente mencionadas. A pesar de esto, dicha signatura no cuenta con ninguna práctica de laboratorio en el tema de radiactividad. Esto es debido, principalmente, al alto coste de los equipos y a cuestiones de seguridad. Con el objetivo de solventar este problema en la formación de los alumnos de Física hemos programado, usando el lenguaje JAVA, dos prácticas de laboratorio virtuales en el área de radiactividad. En una de las experiencias, el alumno mide la evolución de la actividad de una muestra radiactiva con el tiempo y a partir de esto podrá obtener la vida media del isótopo radiactivo estudiado, calcular la cantidad de isótopo que queda en la muestra al transcurrir un cierto tiempo, o evaluar el tiempo necesario que debe de transcurrir para que quede un cierto porcentaje del material radiactivo inicial. En la otra experiencia la medición de la actividad y la masa de una muestra dada de carbono de origen biológico, permitirá establecer la edad de la muestra usando el método del 14C. En ambas prácticas el alumno utiliza el instrumental virtual tal y como si estuviera en un laboratorio real con el instrumental adecuado. La interactividad de la práctica y la posibilidad de realizarla fuera de la universidad, a través de internet, hacen de los experimentos virtuales diseñados un excelente complemento a las prácticas tradicionales de laboratorio.

Understanding the structure of the first atomic contact in gold

We have studied experimentally jump-to-contact (JC) and jump-out-of-contact (JOC) phenomena in gold electrodes. JC can be observed at first contact when two metals approach each other, while JOC occurs in the last contact before breaking. When the indentation depth between the electrodes is limited to a certain value of conductance, a highly reproducible behaviour in the evolution of the conductance can be obtained for hundreds of cycles of formation and rupture. Molecular dynamics simulations of this process show how the two metallic electrodes are shaped into tips of a well-defined crystallographic structure formed through a mechanical annealing mechanism. We report a detailed analysis of the atomic configurations obtained before contact and rupture of these stable structures and obtained their conductance using first-principles quantum transport calculations. These results help us understand the values of conductance obtained experimentally in the JC and JOC phenomena and improve our understanding of atomic-sized contacts and the evolution of their structural characteristics.

The Conference Interpreter

The Conference Interpreter es un videojuego de simulación de la labor del intérprete de conferencias, en el que se reproduce un audio en lengua inglesa y en el que, con un lapso de un segundo y medio, aparece la transcripción del audio con determinados huecos para los que el jugador ha de seleccionar entre las distintas unidades semánticas propuestas en la parte inferior de la pantalla.

Modeling contact formation between atomic-sized gold tips via molecular dynamics

The formation and rupture of atomic-sized contacts is modelled by means of molecular dynamics simulations. Such nano-contacts are realized in scanning tunnelling microscope and mechanically controlled break junction experiments. These instruments routinely measure the conductance across the nano-sized electrodes as they are brought into contact and separated, permitting conductance traces to be recorded that are plots of conductance versus the distance between the electrodes. One interesting feature of the conductance traces is that for some metals and geometric configurations a jump in the value of the conductance is observed right before contact between the electrodes, a phenomenon known as jump-to-contact. This paper considers, from a computational point of view, the dynamics of contact between two gold nano-electrodes. Repeated indentation of the two surfaces on each other is performed in two crystallographic orientations of face-centred cubic gold, namely (001) and (111). Ultimately, the intention is to identify the structures at the atomic level at the moment of first contact between the surfaces, since the value of the conductance is related to the minimum cross-section in the contact region. Conductance values obtained in this way are determined using first principles electronic transport calculations, with atomic configurations taken from the molecular dynamics simulations serving as input structures.

Dynamic bonding of metallic nanocontacts: Insights from experiments and atomistic simulations

The conductance across an atomically narrow metallic contact can be measured by using scanning tunneling microscopy. In certain situations, a jump in the conductance is observed right at the point of contact between the tip and the surface, which is known as “jump to contact” (JC). Such behavior provides a way to explore, at a fundamental level, how bonding between metallic atoms occurs dynamically. This phenomenon depends not only on the type of metal but also on the geometry of the two electrodes. For example, while some authors always find JC when approaching two atomically sharp tips of Cu, others find that a smooth transition occurs when approaching a Cu tip to an adatom on a flat surface of Cu. In an attempt to show that all these results are consistent, we make use of atomistic simulations; in particular, classical molecular dynamics together with density functional theory transport calculations to explore a number of possible scenarios. Simulations are performed for two different materials: Cu and Au in a [100] crystal orientation and at a temperature of 4.2 K. These simulations allow us to study the contribution of short- and long-range interactions to the process of bonding between metallic atoms, as well as to compare directly with experimental measurements of conductance, giving a plausible explanation for the different experimental observations. Moreover, we show a correlation between the cohesive energy of the metal, its Young's modulus, and the frequency of occurrence of a jump to contact.

Controlled rippling of graphene via irradiation and applied strain modify its mechanical properties: a nanoindentation simulation study

Ripples, present in free standing graphene, have an important influence in the mechanical behavior of this two-dimensional material. In this work we show through nanoindentation simulations, how out-of-plane displacements can be modified by strain resulting in softening of the membrane under compression and stiffening under tension. Irradiation also induces changes in the mechanical properties of graphene. Interestingly, compressed samples, irradiated at low doses are stiffened by the irradiation while samples under tensile strain do not show significant changes in their mechanical properties. These simulations indicate that vacancies, produced by the energetic ions, cannot be the ones directly responsible for this behavior. However, changes in roughness induced by the momentum transferred from the energetic ions to the membrane, can explain these differences. These results provide an alternative explanation to recent experimental observations of stiffening of graphene under low dose irradiation, as well as paths to tailor the mechanical properties of this material via applied strain and irradiation.

Docencia semipresencial en el Máster en Ingeniería Informática

En este artículo se describe el trabajo realizado por la red de investigación en docencia universitaria denominada “Docencia semipresencial en el Máster en Ingeniería Informática” y que ha pretendido trabajar en las diferentes asignaturas del Máster en Ingeniería Informática de la Universidad de Alicante con el fin de dotarlas de un carácter semipresencial de una forma coordinada e integrada. Se ha creado un grupo de trabajo dentro de la comisión académica del máster y se ha impulsado una colaboración estrecha entre los responsables de todas las asignaturas del Máster en Ingeniería Informática a la hora de usar todos los mecanismos necesarios para dotar a las respectivas asignaturas del carácter semipresencial. Ha sido muy importante el apoyo que se ha tenido del ICE en este sentido, por ejemplo mediante la solicitud y realización de un curso específico sobre bLearning.

The use of future Internet technologies in the agriculture and food sectors:integrating the supply chain

The Future Internet is expected to greatly influence how the food and agriculture sector is currently operating. In this paper, we present the specific characteristics of the agri-food sector focusing on how information management in this area will take place under a highly heterogeneous group of actors and services, based on the EU SmartAgriFood project. We also discuss how a new dynamic marketplace will be realized based on the adoption of a number of specialized software modules, called “Generic Enablers” that are currently developed in the context of the EU FI-WARE project. Thus, the paper presents the overall vision for data integration along the supply chain as well as the development and federation of Future Internet services that are expected to revolutionize the agriculture sector.

A cloud-based farm management system:architecture and implementation

Recent technological advances have paved the way for developing and offering advanced services for the stakeholders in the agricultural sector. A paradigm shift is underway from proprietary and monolithic tools to Internet-based, cloud hosted, open systems that will enable more effective collaboration between stakeholders. This new paradigm includes the technological support of application developers to create specialized services that will seamlessly interoperate, thus creating a sophisticated and customisable working environment for the end users. We present the implementation of an open architecture that instantiates such an approach, based on a set of domain independent software tools called "generic enablers" that have been developed in the context of the FI-WARE project. The implementation is used to validate a number of innovative concepts for the agricultural sector such as the notion of a services' market place and the system's adaptation to network failures. During the design and implementation phase, the system has been evaluated by end users, offering us valuable feedback. The results of the evaluation process validate the acceptance of such a system and the need of farmers to have access to sophisticated services at affordable prices. A summary of this evaluation process is also presented in this paper. © 2013 Elsevier B.V.

Compilation of maximum ingestion and maximum clearance rate data for marine pelagic organisms

The metabolic rate of organisms may either be viewed as a basic property from which other vital rates and many ecological patterns emerge and that follows a universal allometric mass scaling law; or it may be considered a property of the organism that emerges as a result of the organism's adaptation to the environment, with consequently less universal mass scaling properties. Data on body mass, maximum ingestion and clearance rates, respiration rates and maximum growth rates of animals living in the ocean epipelagic were compiled from the literature, mainly from original papers but also from previous compilations by other authors. Data were read from tables or digitized from graphs. Only measurements made on individuals of know size, or groups of individuals of similar and known size were included. We show that clearance and respiration rates have life-form-dependent allometries that have similar scaling but different elevations, such that the mass-specific rates converge on a rather narrow size-independent range. In contrast, ingestion and growth rates follow a near-universal taxa-independent ~3/4 mass scaling power law. We argue that the declining mass-specific clearance rates with size within taxa is related to the inherent decrease in feeding efficiency of any particular feeding mode. The transitions between feeding mode and simultaneous transitions in clearance and respiration rates may then represent adaptations to the food environment and be the result of the optimization of tradeoffs that allow sufficient feeding and growth rates to balance mortality.

Acceptance of relapse fears in breast cancer patients: effects of an act-based abridged intervention

Objective: Relapse fear is a common psychological scar in cancer survivors. The aim of this study is to assess the effects of an abridged version of Acceptance and Commitment Therapy (ACT) in breast cancer patients.Method: An open trial was developed with 12 non-metastatic breast cancer patients assigned to 2 conditions, ACT and waiting list. Interventions were applied in just one session and focused on the acceptance of relapse fears through a ‘defusion’ exercise. Interference and intensity of fear measured through subjective scales were collected after each intervention and again 3 months later. Distress, hypochondria and ‘anxious preocupation’ were also evaluated through standardized questionnaires.Results: The analysis revealed that ‘defusion’ contributed to decrease the interference of the fear of recurrence, and these changes were maintained three months after intervention in most subjects. 87% of participants showed clinically significant decreases in interference at follow-up sessions whereas no patient in the waiting list showed such changes. Statistical analysis revealed that the changes in interference were significant when comparing pre, post and follow-up treatment, and also when comparing ACT and waiting list groups. Changes in intensity of fear, distress, anxious preoccupation and hypochondria were also observed.Conclusions: Exposure through ‘defusion’ techniques might be considered a useful option for treatment of persistent fears in cancer patients. This study provides evidence for therapies focusing on psychological acceptance in cancer patients through short, simple and feasible therapeutic methods.