Computational modelling of single crystals

The physical basis of computationally tractable models of crystalline plasticity is reviewed. A statistical mechanical model of dislocation motion through forest dislocations is formulated. Following Franciosi and co-workers (1980-88) the strength of the short-range obstacles introduced by the forest dislocations is allowed to depend on the mode of interaction. The kinetic equations governing dislocation motion are solved in closed form for monotonic loading, with transients in the density of forest dislocations accounted for. This solution, coupled with suitable equations of evolution for the dislocation densities, provides a complete description of the hardening of crystals under monotonic loading. Detailed comparisons with experiment demonstrate the predictive capabilities of the theory. An adaptive finite element formulation for the analysis of ductile single crystals is also developed. Calculations of the near-tip fields in Cu single crystals illustrate the versatility of the method

Multiscale modelling of hardening in BCC crystal plasticity

The mechanical behavior of polycrystalline metals can be successfully modeled by macroscopic theories, such as Von Mises plasticity. On the other hand, numerous studies can be performed on the atomic scale, either by atomistic or dislocation dynamics models. The proposed model attempts to bridge those two scales by deriving constitutive relations between slip strains, dislocation densities and resolved shear stresses on crystallographic planes, from mechanisms of deformation playing at the level of the dislocation line. The resulting "mesoscopic" hardening relations are controlled by dislocation self energies and junctions strengths. Temperature and strain rate dependence result from the presence of thermally activated mechanisms such as Peierls barriers or pair annihilation by cross slip. A set of material parameters is identified for Tantalum by fitting the numerical stress strain curves from these tests with experimental results gathered in the literature. These parameters prove to be in very good agreement with the values which can be derived from molecular dynamics computations

The early Miocene balaenid Morenocetus parvus from Patagonia (Argentina) and the evolution of right whales

Balaenidae (right and bowhead whales) are a key group in understanding baleen whale evolution, because they are the oldest surviving lineage of crown Mysticeti, with a fossil record that dates back ~20 million years. However, this record is mostly Pliocene and younger, with most of the Miocene history of the clade remaining practically unknown. The earliest recognized balaenid is the early Miocene Morenocetus parvus Cabrera, 1926 from Argentina. M. parvus was originally briefly described from two incomplete crania, a mandible and some cervical vertebrae collected from the lower Miocene Gaiman Formation of Patagonia. Since then it has not been revised, thus remaining a frequently cited yet enigmatic fossil cetacean with great potential for shedding light on the early history of crown Mysticeti. Here we provide a detailed morphological description of this taxon and revisit its phylogenetic position. The phylogenetic analysis recovered the middle Miocene Peripolocetus as the earliest diverging balaenid, and Morenocetus as the sister taxon of all other balaenids. The analysis of cranial and periotic morphology of Morenocetus suggest that some of the specialized morphological traits of modern balaenids were acquired by the early Miocene and have remained essentially unchanged up to the present. Throughout balaenid evolution, morphological changes in skull arching and ventral displacement of the orbits appear to be coupled and functionally linked to mitigating a reduction of the field of vision. The body length ofMorenocetus and other extinct balaenids was estimated and the evolution of body size in Balaenidae was reconstructed. Optimization of body length on our phylogeny of Balaenidae suggests that the primitive condition was a relatively small body length represented by Morenocetus, and that gigantism has been acquired independently at least twice (in Balaena mysticetus and Eubalaena spp.), with the earliest occurrence of this trait in the late Miocene-early Pliocene as represented by Eubalaena shinshuensis.Facultad de Ciencias Naturales y Muse

Estrategias de confort integral adaptables a la vivienda rural de clima frío

Trabajo de investigaciónDentro de esta investigación se analizaron las condiciones de bajas temperaturas, déficit de ventilación e iluminación natural en tres viviendas rurales localizadas en el municipio de Toca, Colombia con el objetivo de identificar estrategias constructivas adaptables a la vivienda existente y así, mejorar el bienestar integral de los habitantes de las mismas: población de la tercera edad.1. INTRODUCCIÓN 2. PLANTEAMIENTO DEL PROBLEMA 3. OBJETIVOS 4. HIPOTESIS 5. JUSTIFICACIÓN 6. ESTADO DEL ARTE 7. MARCO CONCEPTUAL 8. METODOLOGIA DE LA INVESTIGACIÓN 9. FASE DESCRIPTIVA 10. FASE ANALITICA 11. FASE EXPERIMENTAL 12. FASE PROYECTIVA 13. EVALUACIÓN DE SOSTENIBILIDAD 14. RESULTADOS 15. CONCLUSIONES 16. REFERENCIASMaestríaMagíster en Diseño Sostenibl

A multiscale approach for modeling crystalline solids

In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the direct atomistic determination of fundamental material properties. These properties are computed using a many body Force Field derived from ab initio quantum-mechanical calculations. This approach is exercised to describe the mechanical response of high-purity Tantalum single crystals, including the effect of temperature and strain-rate on the hardening rate. The resulting atomistically informed model is found to capture salient features of the behavior of these crystals such as: the dependence of the initial yield point on temperature and strain rate; the presence of a marked stage I of easy glide, specially at low temperatures and high strain rates; the sharp onset of stage II hardening and its tendency to shift towards lower strains, and eventually disappear, as the temperature increases or the strain rate decreases; the parabolic stage II hardening at low strain rates or high temperatures; the stage II softening at high strain rates or low temperatures; the trend towards saturation at high strains; the temperature and strain-rate dependence of the saturation stress; and the orientation dependence of the hardening rate

Mixed Atomistic–Continuum Models of Material Behavior: The Art of Transcending Atomistics and Informing Continua

The recent development of microscopes that allow for the examination of defects at the atomic scale has made possible a more direct connection between the defects and the macroscopic response they engender (see, e.g., the December 1999 issue of MRS Bulletin)

Análisis de cadenas de Markov y series de Fourier en una secuencia hemipelágica del Jurásico Superior de la Península Antártica

La Formación Ameghino (Kimmeridgiano-Berriasiano), Cuenca Larsen, Península Antártica, está compuesta por una asociación de microfacies de pelitas con radiolarios (P1), pelitas negras (P2), pelitas bioturbadas y peloidales (P3), tobas (T) y areniscas (A) excelentemente preservadas. Este conjunto de microfacies revela sedimentación pelágica/ hemipelágica en un ambiente deficiente en oxígeno, periódicamente interrumpida por caídas de cenizas del arco volcánico antártico. Análisis basados en cadenas de Markov indican la recurrencia de las microfacies y sus relaciones cíclicas. Se interpreta que la alternancia de pelitas con  radiolarios y pelitas negras (P1-P2) responde a variaciones en la productividad/dilución, mientras que las microfacies de tobas y areniscas corresponden a depósitos de evento que modificaron las condiciones ambientales y diagenéticas evitando la disolución de los esqueletos de radiolarios en la masa de agua y en el fondo, y generando de este modo una memoria markoviana con ciclos T-P1-P2. Por otra parte, el análisis por transformadas de Fourier indica para los ciclos P1-P2 una duración del orden de 1000 años, en el rango de variaciones sub-Milankovitch

Sr ages for the Chenque Formation in the Comodoro Rivadavia region (Golfo San Jorge Basin, Argentina): Stratigraphic implications

The age and stratigraphic subdivisions for the late Oligocene-Miocene, marine deposits of Patagonia (Patagoniense succession) have been largely debated. Most studies for the Comodoro Rivadavia region were focused on its biostratigraphy and stratigraphic relations with the underlying and overlying mammal-bearing terrestrial strata. We report here thirteen new 86Sr/87Sr ages obtained from wellpreserved oyster valves of the Chenque Formation in the classical Patagoniense outcrops around the city of Comodoro Rivadavia (Golfo San Jorge Basin, Argentina). According to these ages, the deposition of the unit in the region occurred between 19.69 and 15.37 Ma (Burdigalian-early Langhian). A lower interval of normal sedimentation rate (Sequences 1 and 2) and an upper interval of high sedimentation rate (Sequence 3) are defined according to these new ages of the Chenque Formation. Subsequently, the depositional age of the Chenque Formation is compared with other well-dated marine successions of southern Patagonia located within the Austral Basin. This analysis suggests that the Austral and Golfo San Jorge basins were flooded by the Atlantic sea at about the same time (~21-20 Ma), inundating what was before a vast continental region of southern Patagonia. A renewed phase of continentalization occurred at about 18 Ma in the Austral Basin and at about 15 Ma in the study region of the Golfo San Jorge Basin. This 3 my difference combined with the elevated sedimentation rate estimated for the upper part of the study interval, suggest that the Golfo San Jorge Basin may have locally experienced relatively high subsidence rates during the early Miocene, allowing prolonged marine sedimentation in the Comodoro Rivadavia area. Consequently, the accumulation of the terrestrial deposits assigned to the Santa Cruz Formation started at about 15 Ma in the study region, later than in other localities of southern Patagonia. This results clearly indicate a remarkable interdigitation between the Santa Cruz and Chenque formations in a west-east transect across central Patagonia