Coupled Nonlinear Ginzburg-Landau and Mechanics Model for Martensitic Transformations in Polycrystals

Las transformaciones martensíticas (MT) se definen como un cambio en la estructura del cristal para formar una fase coherente o estructuras de dominio multivariante, a partir de la fase inicial con la misma composición, debido a pequeños intercambios o movimientos atómicos cooperativos. En el siglo pasado se han descubierto MT en diferentes materiales partiendo desde los aceros hasta las aleaciones con memoria de forma, materiales cerámicos y materiales inteligentes. Todos muestran propiedades destacables como alta resistencia mecánica, memoria de forma, efectos de superelasticidad o funcionalidades ferroicas como la piezoelectricidad, electro y magneto-estricción etc. Varios modelos/teorías se han desarrollado en sinergia con el desarrollo de la física del estado sólido para entender por qué las MT generan microstructuras muy variadas y ricas que muestran propiedades muy interesantes. Entre las teorías mejor aceptadas se encuentra la Teoría Fenomenológica de la Cristalografía Martensítica (PTMC, por sus siglas en inglés) que predice el plano de hábito y las relaciones de orientación entre la austenita y la martensita. La reinterpretación de la teoría PTMC en un entorno de mecánica del continuo (CM-PTMC) explica la formación de los dominios de estructuras multivariantes, mientras que la teoría de Landau con dinámica de inercia desentraña los mecanismos físicos de los precursores y otros comportamientos dinámicos. La dinámica de red cristalina desvela la reducción de la dureza acústica de las ondas de tensión de red que da lugar a transformaciones débiles de primer orden en el desplazamiento. A pesar de las diferencias entre las teorías estáticas y dinámicas dado su origen en diversas ramas de la física (por ejemplo mecánica continua o dinámica de la red cristalina), estas teorías deben estar inherentemente conectadas entre sí y mostrar ciertos elementos en común en una perspectiva unificada de la física. No obstante las conexiones físicas y diferencias entre las teorías/modelos no se han tratado hasta la fecha, aun siendo de importancia crítica para la mejora de modelos de MT y para el desarrollo integrado de modelos de transformaciones acopladas de desplazamiento-difusión. Por lo tanto, esta tesis comenzó con dos objetivos claros. El primero fue encontrar las conexiones físicas y las diferencias entre los modelos de MT mediante un análisis teórico detallado y simulaciones numéricas. El segundo objetivo fue expandir el modelo de Landau para ser capaz de estudiar MT en policristales, en el caso de transformaciones acopladas de desplazamiento-difusión, y en presencia de dislocaciones. Comenzando con un resumen de los antecedente, en este trabajo se presentan las bases físicas de los modelos actuales de MT. Su capacidad para predecir MT se clarifica mediante el ansis teórico y las simulaciones de la evolución microstructural de MT de cúbicoatetragonal y cúbicoatrigonal en 3D. Este análisis revela que el modelo de Landau con representación irreducible de la deformación transformada es equivalente a la teoría CM-PTMC y al modelo de microelasticidad para predecir los rasgos estáticos durante la MT, pero proporciona una mejor interpretación de los comportamientos dinámicos. Sin embargo, las aplicaciones del modelo de Landau en materiales estructurales están limitadas por su complejidad. Por tanto, el primer resultado de esta tesis es el desarrollo del modelo de Landau nolineal con representación irreducible de deformaciones y de la dinámica de inercia para policristales. La simulación demuestra que el modelo propuesto es consistente fcamente con el CM-PTMC en la descripción estática, y también permite una predicción del diagrama de fases con la clásica forma ’en C’ de los modos de nucleación martensítica activados por la combinación de temperaturas de enfriamiento y las condiciones de tensión aplicada correlacionadas con la transformación de energía de Landau. Posteriomente, el modelo de Landau de MT es integrado con un modelo de transformación de difusión cuantitativa para elucidar la relajación atómica y la difusión de corto alcance de los elementos durante la MT en acero. El modelo de transformaciones de desplazamiento y difusión incluye los efectos de la relajación en borde de grano para la nucleación heterogenea y la evolución espacio-temporal de potenciales de difusión y movilidades químicas mediante el acoplamiento de herramientas de cálculo y bases de datos termo-cinéticos de tipo CALPHAD. El modelo se aplica para estudiar la evolución microstructural de aceros al carbono policristalinos procesados por enfriamiento y partición (Q&P) en 2D. La microstructura y la composición obtenida mediante la simulación se comparan con los datos experimentales disponibles. Los resultados muestran el importante papel jugado por las diferencias en movilidad de difusión entre la fase austenita y martensita en la distibución de carbono en las aceros. Finalmente, un modelo multi-campo es propuesto mediante la incorporación del modelo de dislocación en grano-grueso al modelo desarrollado de Landau para incluir las diferencias morfológicas entre aceros y aleaciones con memoria de forma con la misma ruptura de simetría. La nucleación de dislocaciones, la formación de la martensita ’butterfly’, y la redistribución del carbono después del revenido son bien representadas en las simulaciones 2D del estudio de la evolución de la microstructura en aceros representativos. Con dicha simulación demostramos que incluyendo las dislocaciones obtenemos para dichos aceros, una buena comparación frente a los datos experimentales de la morfología de los bordes de macla, la existencia de austenita retenida dentro de la martensita, etc. Por tanto, basado en un modelo integral y en el desarrollo de códigos durante esta tesis, se ha creado una herramienta de modelización multiescala y multi-campo. Dicha herramienta acopla la termodinámica y la mecánica del continuo en la macroescala con la cinética de difusión y los modelos de campo de fase/Landau en la mesoescala, y también incluye los principios de la cristalografía y de la dinámica de red cristalina en la microescala. ABSTRACT Martensitic transformation (MT), in a narrow sense, is defined as the change of the crystal structure to form a coherent phase, or multi-variant domain structures out from a parent phase with the same composition, by small shuffles or co-operative movements of atoms. Over the past century, MTs have been discovered in different materials from steels to shape memory alloys, ceramics, and smart materials. They lead to remarkable properties such as high strength, shape memory/superelasticity effects or ferroic functionalities including piezoelectricity, electro- and magneto-striction, etc. Various theories/models have been developed, in synergy with development of solid state physics, to understand why MT can generate these rich microstructures and give rise to intriguing properties. Among the well-established theories, the Phenomenological Theory of Martensitic Crystallography (PTMC) is able to predict the habit plane and the orientation relationship between austenite and martensite. The re-interpretation of the PTMC theory within a continuum mechanics framework (CM-PTMC) explains the formation of the multivariant domain structures, while the Landau theory with inertial dynamics unravels the physical origins of precursors and other dynamic behaviors. The crystal lattice dynamics unveils the acoustic softening of the lattice strain waves leading to the weak first-order displacive transformation, etc. Though differing in statics or dynamics due to their origins in different branches of physics (e.g. continuum mechanics or crystal lattice dynamics), these theories should be inherently connected with each other and show certain elements in common within a unified perspective of physics. However, the physical connections and distinctions among the theories/models have not been addressed yet, although they are critical to further improving the models of MTs and to develop integrated models for more complex displacivediffusive coupled transformations. Therefore, this thesis started with two objectives. The first one was to reveal the physical connections and distinctions among the models of MT by means of detailed theoretical analyses and numerical simulations. The second objective was to expand the Landau model to be able to study MTs in polycrystals, in the case of displacive-diffusive coupled transformations, and in the presence of the dislocations. Starting with a comprehensive review, the physical kernels of the current models of MTs are presented. Their ability to predict MTs is clarified by means of theoretical analyses and simulations of the microstructure evolution of cubic-to-tetragonal and cubic-to-trigonal MTs in 3D. This analysis reveals that the Landau model with irreducible representation of the transformed strain is equivalent to the CM-PTMC theory and microelasticity model to predict the static features during MTs but provides better interpretation of the dynamic behaviors. However, the applications of the Landau model in structural materials are limited due its the complexity. Thus, the first result of this thesis is the development of a nonlinear Landau model with irreducible representation of strains and the inertial dynamics for polycrystals. The simulation demonstrates that the updated model is physically consistent with the CM-PTMC in statics, and also permits a prediction of a classical ’C shaped’ phase diagram of martensitic nucleation modes activated by the combination of quenching temperature and applied stress conditions interplaying with Landau transformation energy. Next, the Landau model of MT is further integrated with a quantitative diffusional transformation model to elucidate atomic relaxation and short range diffusion of elements during the MT in steel. The model for displacive-diffusive transformations includes the effects of grain boundary relaxation for heterogeneous nucleation and the spatio-temporal evolution of diffusion potentials and chemical mobility by means of coupling with a CALPHAD-type thermo-kinetic calculation engine and database. The model is applied to study for the microstructure evolution of polycrystalline carbon steels processed by the Quenching and Partitioning (Q&P) process in 2D. The simulated mixed microstructure and composition distribution are compared with available experimental data. The results show that the important role played by the differences in diffusion mobility between austenite and martensite to the partitioning in carbon steels. Finally, a multi-field model is proposed by incorporating the coarse-grained dislocation model to the developed Landau model to account for the morphological difference between steels and shape memory alloys with same symmetry breaking. The dislocation nucleation, the formation of the ’butterfly’ martensite, and the redistribution of carbon after tempering are well represented in the 2D simulations for the microstructure evolution of the representative steels. With the simulation, we demonstrate that the dislocations account for the experimental observation of rough twin boundaries, retained austenite within martensite, etc. in steels. Thus, based on the integrated model and the in-house codes developed in thesis, a preliminary multi-field, multiscale modeling tool is built up. The new tool couples thermodynamics and continuum mechanics at the macroscale with diffusion kinetics and phase field/Landau model at the mesoscale, and also includes the essentials of crystallography and crystal lattice dynamics at microscale.

Project management competence analysis in rural communities through territorial representation: application to Aymara women communities in Puno (Peru)

The acquisition of technical, contextual and behavioral competences is a prerequisite for sustainable development and strengthening of rural communities. Territorial display of the status of these skills helps to design the necessary learning, so its inclusion in planning processes is useful for decision making. The article discusses the application of visual representation of competences in a rural development project with Aymara women communities in Peru. The results show an improvement of transparency and dialogue, resulting in a more successful project management and strengthening of social organization.

Neuromorphic Detection of Vowel Representation Spaces

In this paper a layered architecture to spot and characterize vowel segments in running speech is presented. The detection process is based on neuromorphic principles, as is the use of Hebbian units in layers to implement lateral inhibition, band probability estimation and mutual exclusion. Results are presented showing how the association between the acoustic set of patterns and the phonologic set of symbols may be created. Possible applications of this methodology are to be found in speech event spotting, in the study of pathological voice and in speaker biometric characterization, among others.

Contribución al estudio de dos conceptos básicos de la lógica fuzzy

La tesis doctoral CONTRIBUCIÓN AL ESTUDIO DE DOS CONCEPTOS BÁSICOS DE LA LÓGICA FUZZY constituye un conjunto de nuevas aportaciones al análisis de dos elementos básicos de la lógica fuzzy: los mecanismos de inferencia y la representación de predicados vagos. La memoria se encuentra dividida en dos partes que corresponden a los dos aspectos señalados. En la Parte I se estudia el concepto básico de «estado lógico borroso». Un estado lógico borroso es un punto fijo de la aplicación generada a partir de la regla de inferencia conocida como modus ponens generalizado. Además, un preorden borroso puede ser representado mediante los preórdenes elementales generados por el conjunto de sus estados lógicos borrosos. El Capítulo 1 está dedicado a caracterizar cuándo dos estados lógicos dan lugar al mismo preorden elemental, obteniéndose también un representante de la clase de todos los estados lógicos que generan el mismo preorden elemental. El Capítulo finaliza con la caracterización del conjunto de estados lógicos borrosos de un preorden elemental. En el Capítulo 2 se obtiene un subconjunto borroso trapezoidal como una clase de una relación de indistinguibilidad. Finalmente, el Capítulo 3 se dedica a estudiar dos tipos de estados lógicos clásicos: los irreducibles y los minimales. En el Capítulo 4, que inicia la Parte II de la memoria, se aborda el problema de obtener la función de compatibilidad de un predicado vago. Se propone un método, basado en el conocimiento del uso del predicado mediante un conjunto de reglas y de ciertos elementos distinguidos, que permite obtener una expresión general de la función de pertenencia generalizada de un subconjunto borroso que realice la función de extensión del predicado borroso. Dicho método permite, en ciertos casos, definir un conjunto de conectivas multivaluadas asociadas al predicado. En el último capítulo se estudia la representación de antónimos y sinónimos en lógica fuzzy a través de auto-morfismos. Se caracterizan los automorfismos sobre el intervalo unidad cuando sobre él se consideran dos operaciones: una t-norma y una t-conorma ambas arquimedianas. The PhD Thesis CONTRIBUCIÓN AL ESTUDIO DE DOS CONCEPTOS BÁSICOS DE LA LÓGICA FUZZY is a contribution to two basic concepts of the Fuzzy Logic. It is divided in two parts, the first is devoted to a mechanism of inference in Fuzzy Logic, and the second to the representation of vague predicates. «Fuzzy Logic State» is the basic concept in Part I. A Fuzzy Logic State is a fixed-point for the mapping giving the Generalized Modus Ponens Rule of inference. Moreover, a fuzzy preordering can be represented by the elementary preorderings generated by its Fuzzy Logic States. Chapter 1 contemplates the identity of elementary preorderings and the selection of representatives for the classes modulo this identity. This chapter finishes with the characterization of the set of Fuzzy Logic States of an elementary preordering. In Chapter 2 a Trapezoidal Fuzzy Set as a class of a relation of Indistinguishability is obtained. Finally, Chapter 3 is devoted to study two types of Classical Logic States: irreducible and minimal. Part II begins with Chapter 4 dealing with the problem of obtaining a Compa¬tibility Function for a vague predicate. When the use of a predicate is known by means of a set of rules and some distinguished elements, a method to obtain the general expression of the Membership Function is presented. This method allows, in some cases, to reach a set of multivalued connectives associated to the predicate. Last Chapter is devoted to the representation of antonyms and synonyms in Fuzzy Logic. When the unit interval [0,1] is endowed with both an archimedean t-norm and a an archi-medean t-conorm, it is showed that the automorphisms' group is just reduced to the identity function.

Optimizing Functional Network Representation of Multivariate Time Series

By combining complex network theory and data mining techniques, we provide objective criteria for optimization of the functional network representation of generic multivariate time series. In particular, we propose a method for the principled selection of the threshold value for functional network reconstruction from raw data, and for proper identification of the network's indicators that unveil the most discriminative information on the system for classification purposes. We illustrate our method by analysing networks of functional brain activity of healthy subjects, and patients suffering from Mild Cognitive Impairment, an intermediate stage between the expected cognitive decline of normal aging and the more pronounced decline of dementia. We discuss extensions of the scope of the proposed methodology to network engineering purposes, and to other data mining tasks.

Using modular neural networks to model self-consciousness and self-representation for artificial entities

Self-consciousness implies not only self or group recognition, but also real knowledge of one’s own identity. Self-consciousness is only possible if an individual is intelligent enough to formulate an abstract self-representation. Moreover, it necessarily entails the capability of referencing and using this elf-representation in connection with other cognitive features, such as inference, and the anticipation of the consequences of both one’s own and other individuals’ acts. In this paper, a cognitive architecture for self-consciousness is proposed. This cognitive architecture includes several modules: abstraction, self-representation, other individuals'representation, decision and action modules. It includes a learning process of self-representation by direct (self-experience based) and observational learning (based on the observation of other individuals). For model implementation a new approach is taken using Modular Artificial Neural Networks (MANN). For model testing, a virtual environment has been implemented. This virtual environment can be described as a holonic system or holarchy, meaning that it is composed of autonomous entities that behave both as a whole and as part of a greater whole. The system is composed of a certain number of holons interacting. These holons are equipped with cognitive features, such as sensory perception, and a simplified model of personality and self-representation. We explain holons’ cognitive architecture that enables dynamic self-representation. We analyse the effect of holon interaction, focusing on the evolution of the holon’s abstract self-representation. Finally, the results are explained and analysed and conclusions drawn.

The Phase Space as a New Representation of the Dynamical Behaviour of Temperature and Enthalpy in a Reefer monitored with a Multidistributed Sensors Network

The study of temperature gradients in cold stores and containers is a critical issue in the food industry for the quality assurance of products during transport, as well as forminimizing losses. The objective of this work is to develop a new methodology of data analysis based on phase space graphs of temperature and enthalpy, collected by means of multidistributed, low cost and autonomous wireless sensors and loggers. A transoceanic refrigerated transport of lemons in a reefer container ship from Montevideo (Uruguay) to Cartagena (Spain) was monitored with a network of 39 semi-passive TurboTag RFID loggers and 13 i-button loggers. Transport included intermodal transit from transoceanic to short shipping vessels and a truck trip. Data analysis is carried out using qualitative phase diagrams computed on the basis of Takens?Ruelle reconstruction of attractors. Fruit stress is quantified in terms of the phase diagram area which characterizes the cyclic behaviour of temperature. Areas within the enthalpy phase diagram computed for the short sea shipping transport were 5 times higher than those computed for the long sea shipping, with coefficients of variation above 100% for both periods. This new methodology for data analysis highlights the significant heterogeneity of thermohygrometric conditions at different locations in the container.

Knowledge representation tool for cognitiveprocesses modeling

In the last decades, neuropsychological theories tend to consider cognitive functions as a result of the whole brainwork and not as individual local areas of its cortex. Studies based on neuroimaging techniques have increased in the last years, promoting an exponential growth of the body of knowledge about relations between cognitive functions and brain structures [1]. However, so fast evolution make complicated to integrate them in verifiable theories and, even more, translated in to cognitive rehabilitation. The aim of this research work is to develop a cognitive process-modeling tool. The purpose of this system is, in the first term, to represent multidimensional data, from structural and functional connectivity, neuroimaging, data from lesion studies and derived data from clinical intervention [2][3]. This will allow to identify consolidated knowledge, hypothesis, experimental designs, new data from ongoing studies and emerging results from clinical interventions. In the second term, we pursuit to use Artificial Intelligence to assist in decision making allowing to advance towards evidence based and personalized treatments in cognitive rehabilitation. This work presents the knowledge base design of the knowledge representation tool. It is compound of two different taxonomies (structure and function) and a set of tags linking both taxonomies at different levels of structural and functional organization. The remainder of the abstract is organized as follows: Section 2 presents the web application used for gathering necessary information for generating the knowledge base, Section 3 describes knowledge base structure and finally Section 4 expounds reached conclusions.

Rule Representation in Distributed Environments with Accepting Networks of Splicing Processors.

This paper presents the model named Accepting Networks of Evolutionary Processors as NP-problem solver inspired in the biological DNA operations. A processor has a rules set, splicing rules in this model,an object multiset and a filters set. Rules can be applied in parallel since there exists a large number of copies of objects in the multiset. Processors can form a graph in order to solve a given problem. This paper shows the network configuration in order to solve the SAT problem using linear resources and time. A rule representation arquitecture in distributed environments can be easily implemented using these networks of processors, such as decision support systems, as shown in the paper.

Terminological Importation for Adapting Reusable Knowledge Representation Components in the KSM Environment

This paper describes the adaptation approach of reusable knowledge representation components used in the KSM environment for the formulation and operationalisation of structured knowledge models. Reusable knowledge representation components in KSM are called primitives of representation. A primitive of representation provides: (1) a knowledge representation formalism (2) a set of tasks that use this knowledge together with several problem-solving methods to carry out these tasks (3) a knowledge acquisition module that provides different services to acquire and validate this knowledge (4) an abstract terminology about the linguistic categories included in the representation language associated to the primitive. Primitives of representation usually are domain independent. A primitive of representation can be adapted to support knowledge in a given domain by importing concepts from this domain. The paper describes how this activity can be carried out by mean of a terminological importation. Informally, a terminological importation partially populates an abstract terminology with concepts taken from a given domain. The information provided by the importation can be used by the acquisition and validation facilities to constraint the classes of knowledge that can be described using the representation formalism according to the domain knowledge. KSM provides the LINK-S language to specify terminological importation from a domain terminology to an abstract one. These terminologies are described in KSM by mean of the CONCEL language. Terminological importation is used to adapt reusable primitives of representation in order to increase the usability degree of such components in these domains. In addition, two primitives of representation can share a common vocabulary by importing common domain CONCEL terminologies (conceptual vocabularies). It is a necessary condition to make possible the interoperability between different, heterogeneous knowledge representation components in the framework of complex knowledge - based architectures.

Unified representation of monitoring information across federated cloud infrastructures

Nowadays one of the issues hindering the potential of federating cloud-based infrastructures to reach much larger scales is their standard management and monitoring. In particular, this is true in cases where these federated infrastructures provide emerging Future Internet and Smart Cities-oriented services, such as the Internet of Things (IoT), that benefit from cloud services. The contribution of this paper is the introduction of a unified monitoring architecture for federated cloud infrastructures accompanied by the adoption of a uniform representation of measurement data. The presented solution is capable of providing multi-domain compatibility, scalability, as well as the ability to analyze large amounts of monitoring data, collected from datacenters and offered through open and standardized APIs. The solution described herein has been deployed and is currently running on a community of 5 infrastructures within the framework of the European Project XIFI, to be extended to 12 more infrastructures.

SMART Protocols: seMAntic represenTation for experimental protocols

Two important characteristics of science are the ?reproducibility? and ?clarity?. By rigorous practices, scientists explore aspects of the world that they can reproduce under carefully controlled experimental conditions. The clarity, complementing reproducibility, provides unambiguous descriptions of results in a mechanical or mathematical form. Both pillars depend on well-structured and accurate descriptions of scientific practices, which are normally recorded in experimental protocols, scientific workflows, etc. Here we present SMART Protocols (SP), our ontology-based approach for representing experimental protocols and our contribution to clarity and reproducibility. SP delivers an unambiguous description of processes by means of which data is produced; by doing so, we argue, it facilitates reproducibility. Moreover, SP is thought to be part of e-science infrastructures. SP results from the analysis of 175 protocols; from this dataset, we extracted common elements. From our analysis, we identified document, workflow and domain-specific aspects in the representation of experimental protocols. The ontology is available at http://purl.org/net/SMARTprotocol

Onyx: A Linked Data approach to emotion representation

Extracting opinions and emotions from text is becoming increasingly important, especially since the advent of micro-blogging and social networking. Opinion mining is particularly popular and now gathers many public services, datasets and lexical resources. Unfortunately, there are few available lexical and semantic resources for emotion recognition that could foster the development of new emotion aware services and applications. The diversity of theories of emotion and the absence of a common vocabulary are two of the main barriers to the development of such resources. This situation motivated the creation of Onyx, a semantic vocabulary of emotions with a focus on lexical resources and emotion analysis services. It follows a linguistic Linked Data approach, it is aligned with the Provenance Ontology, and it has been integrated with the Lexicon Model for Ontologies (lemon), a popular RDF model for representing lexical entries. This approach also means a new and interesting way to work with different theories of emotion. As part of this work, Onyx has been aligned with EmotionML and WordNet-Affect.

MedVir: an interactive representation system of multidimensional medical data applied to Traumatic Brain Injury's rehabilitation prediction

Clinicians could model the brain injury of a patient through his brain activity. However, how this model is defined and how it changes when the patient is recovering are questions yet unanswered. In this paper, the use of MedVir framework is proposed with the aim of answering these questions. Based on complex data mining techniques, this provides not only the differentiation between TBI patients and control subjects (with a 72% of accuracy using 0.632 Bootstrap validation), but also the ability to detect whether a patient may recover or not, and all of that in a quick and easy way through a visualization technique which allows interaction.

Multiple feature points representation in target localization of wireless visual sensor networks

This paper discusses the target localization problem in wireless visual sensor networks. Additive noises and measurement errors will affect the accuracy of target localization when the visual nodes are equipped with low-resolution cameras. In the goal of improving the accuracy of target localization without prior knowledge of the target, each node extracts multiple feature points from images to represent the target at the sensor node level. A statistical method is presented to match the most correlated feature point pair for merging the position information of different sensor nodes at the base station. Besides, in the case that more than one target exists in the field of interest, a scheme for locating multiple targets is provided. Simulation results show that, our proposed method has desirable performance in improving the accuracy of locating single target or multiple targets. Results also show that the proposed method has a better trade-off between camera node usage and localization accuracy.