Coarse-grained fabrics are comprised of multi-bit configurable logic blocks and configurable interconnect. This work is focused on area and energy optimization techniques for coarse-grained reconfigurable fabric architectures. In this work, a variety of design techniques have been explored to improve the utilization of computational resources and increase energy savings. This includes splitting, folding, multi-level vertical interconnect. In addition to this, I have also studied fully connected homogeneous and heterogeneous architectures, and 3D architecture. I have also examined some of the hybrid strategies of computation unit’s arrangements. In order to perform energy and area analysis, I selected a set of signal and image processing benchmarks from MediaBench suite. I implemented various fabric architectures on 90nm ASIC process from Synopsys. Results show area improvement with energy savings as compared to baseline architecture.

Medium chain fatty acids (MCFAs) are essential molecules for a wide range of pharmaceutical, biotechnological, and industrial applications. These are naturally occurring saturated or unsaturated fatty acids containing 6-12 carbons with complex and pH sensitive aggregation. Medium chain fatty acids such as capric acid (C10) or lauric acid (C12) have additionally been shown to exhibit antibacterial activity. A number of studies have observed the aggregation behavior of long chain fatty acid using the titration curves by molecular dynamic (MD) simulations.  In this study, we performed constant-pH coarse-grained MD simulations to determine pKa values and titration behavior using a two-states model for C10 and C12. In the simulations, pH was varied between 2 to 8 and pKa values were determined using the Hill equation. The pKa for C10 (capric acid) was found to be 4.8 and for C12 (lauric acid) 5.4, in good agreement with the literature values (4.9 and 5.3, respectively).

京都大学 / 0048 / 新制・課程博士 / 博士(情報学) / 甲第22800号 / 情博第730号 / 新制||情||125(附属図書館) / 京都大学大学院情報学研究科知能情報学専攻 / (主査)准教授 中澤 篤志, 教授 西野 恒, 教授 鹿島 久嗣 / 学位規則第4条第1項該当 / Doctor of Informatics / Kyoto University / DGAM

Ni-based superalloys remain state-of-the-art materials for use in the high-temperature, corrosive environments experienced by turbine blades in gas turbine engines used for propulsion and energy generation. Increasing the operating temperatures of turbine engines can yield increased engine efficiencies. However, appreciably higher operational temperatures can exceed the capabilities of Ni-based superalloys. Consequently, interest exists to develop high-melting refractory complex concentrated alloys (RCCAs) with the potential to surpass the hightemperature property limitations of Ni-based alloys. RCCAs are multi-principal element alloys, often comprising 5 or more elements in equal or near equal amounts. Conventional solidificationbased processing methods (e.g., arc melting) of RCCAs tend to yield coarse-grained samples with a large degree of microsegregation, often requiring long subsequent homogenization annealing times. Additionally, the large differences in melting temperatures of component elements can further complicate solidification-based fabrication of RCCAs. <div>Herein, the feasibility of a new chemical synthesis, powder metallurgy route for generating fine-grained, homogenous RCCAs is demonstrated. This is achieved by first employing the Pechini method, which is a well-developed process for generating fine-grained, oxide powder mixtures. The fine oxide powder mixture is then reduced at a low temperature (600°C-770 ºC) to yield fine-grained metal alloy powder. Hot pressing of the metallic powder is then used to achieve dense, fine-grained metallic alloys. While this process is demonstrated for generating fine-grained, high-melting MoW and MoWCr alloys, this method can be readily extended to generate other finegrained RCCA compositions, including those unachievable by solidification-based processing methods.</div>

Titanium is thanks to its high corrosion resistance and biocompatibility widely used in medicine. Ti alloys are used due to their superior mechanical properties instead of pure Ti for load carrying components. Ti alloys are often alloyed with elements which are toxic for human body and further increase cost of Ti products. Main focus of current development is to create pure Ti with better mechanical properties. It can be done by reducing grain size by processes based on severe plastic deformation. The aim of this work is to evaluate fatigue properties as well as fatigue crack initiation and propagation mechanism of Ti grade 2 with the ultrafine grained structure. After microstructure analysis, fatigue tests with symmetrical loading were executed. Fracture surfaces of ultrafine grained Ti grade 2 were observed after fatigue tests for identification of failure mechanism. Results were compared with those for course-grained Ti grade 2.

The diploma thesis is focused on characterization of fine – grained steels, choosing of welding technology and effects of heat transmission on weld joint quality. The effect of transmitted heat on microscopic structure and stiffness of weld have been studied. Based on obtained results the optimal parameters for welding of fine - grained steel have been determined.

Title: Study of ultrafine-grained materials prepared with different methods of severe plastic deformation Author: RNDr. Tomáš Krajňák Department: Department of Physics of Materials, Faculty of Mathematics and Physics, Charles University in Prague Supervisor: Doc. RNDr. Kristián Máthis, PhD., Department of Physics of Materials, Faculty of Mathematics and Physics, Charles University in Prague Abstract: Interstitial free steel with ultrafine-grained (UFG) structure was prepared by high-pressure torsion (HPT). The development of the microstructure as a function of the number of HPT turns was studied at the centre, half-radius and periphery of the HPT-processed disks by X-ray line profile analysis (XLPA), positron annihilation spectroscopy (PAS) and electron microscopy. The dislocation densities and the dislocation cell sizes determined by XLPA were found to be in good agreement with those obtained by PAS. The evolution of the dislocation density, the dislocation cell and grain sizes, the vacancy cluster size, as well as the high-angle grain boundary (HAGB) fraction was determined as a function of the equivalent strain. It was found that first the dislocation density saturated, then the dislocation cell size reached its minimum value and finally the grain size got saturated. For very high strains after the...

Diese Dissertation befasst sich mit dem Verhalten eines generischen semiflexi- blen Polymermodells. Insbesondere untersucht es den Einfluss von Steifigkeit auf die unterschiedlichen thermodynamisch stabilen Konformationen. Es wird erläutert wie durch die Steifigkeit des Polymers verschiedene struk- turierte Phasen induziert werden. Insbesondere wird dabei auf die sta- bilen verknoteten Phasen eingegangen. Der zweite Teil der Dissertation beschäftigt sich dann mit dem Einfluss einer kugelförmigen Einsperrung auf das Phasendiagramm des selben Polymermodells. Es wird gezeigt wie in Abhängigkeit der Ordnung des Phasenüberganges die Einsperrung entweder zu einem stabilisierenden oder destabilisierenden Effekt führt. Im dritten Teil der Dissertation werden dann die komplexen Monte-Carlo Simulationen erläutert die für die Simulation der physikalischen Systeme genutzt wurde. Diese Algorithmen wurden in ein Framework integriert, so dass diese wieder verwendet werden können.

No description available.

<div>Organic mixed ion-electron conducting (OMIEC) polymers are capable of transporting both electrons and ions. This unique functionality underpins many emerging applications, including biosensors, electrochemical transistors, and batteries. The fundamental operating principles and structure-function relationships of OMIECs are still being investigated. Computational tools such as coarse-grained molecular dynamics (CGMD), which use simpler representations than in atomistic modeling, are ideal to study OMIECs, as they can explore the slow dynamics and large length scale features of polymers. Nevertheless, methods development is still required for CGMD simulations to accurately describe OMIECs.</div><div><br></div><div>In this thesis, two CGMD simulation approaches have been adopted. One is a so-called "top-down" approach to develop a generic model of OMIECs. Top-down models are phenomenological but capable of exploring a broad space of materials variables, including backbone anisotropy, persistence length, side-chain density, and hydrophilicity. This newly developed model was used to interrogate the effect of side-chain polarity and patterning on OMIEC physics. These studies reproduce experimentally observed polymer swelling while for the first time clarifying several molecular factors affecting charge transport, including the role of trap sites, polaron delocalization, electrolyte percolation, and suggesting side-chain patterning as a potential tool to improve OMIEC performance.</div><div><br></div><div>The second strategy pursued in this thesis is bottom-up CGMD modeling of specific atomistic systems. The bottom-up approach enables CGMD simulations to be quantitatively related to specific materials; yet, the sources of error and methods for addressing them have yet to be systematically established. To address this gap, we have studied the effect of the CG mapping operator, an important CG variable, on the fidelity of atomistic and CGMD simulations. A major observation from this study is that prevailing CGMD methods are underdetermined with respect to atomistic training data. In a separate study, we have proposed a hybrid machine-learning and physics-based CGMD framework that utilizes information from multiple sources and improves on the accuracy of ML-only bottom-up CGMD approaches. </div>