Prediction Of Shear-Band Thickness In Metallic Glasses

We derive an explicit expression for predicting the thicknesses of shear bands in metallic glasses. The model demonstrates that the shear-band thickness is mainly dominated by the activation size of the shear transformation zone (STZ) and its activation free volume concentration. The predicted thicknesses agree well with the results of measurements and simulations. The underlying physics is attributed to the local topological instability of the activated STZ. The result is of significance in understanding the origin of inhomogeneous flow in metallic glasses. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Advances towards behaviour-based indoor robotic exploration

215 p.

Conditional independence in quantum many-body systems

In this thesis, I will discuss how information-theoretic arguments can be used to produce sharp bounds in the studies of quantum many-body systems. The main advantage of this approach, as opposed to the conventional field-theoretic argument, is that it depends very little on the precise form of the Hamiltonian. The main idea behind this thesis lies on a number of results concerning the structure of quantum states that are conditionally independent. Depending on the application, some of these statements are generalized to quantum states that are approximately conditionally independent. These structures can be readily used in the studies of gapped quantum many-body systems, especially for the ones in two spatial dimensions. A number of rigorous results are derived, including (i) a universal upper bound for a maximal number of topologically protected states that is expressed in terms of the topological entanglement entropy, (ii) a first-order perturbation bound for the topological entanglement entropy that decays superpolynomially with the size of the subsystem, and (iii) a correlation bound between an arbitrary local operator and a topological operator constructed from a set of local reduced density matrices. I also introduce exactly solvable models supported on a three-dimensional lattice that can be used as a reliable quantum memory.

Synthetic molecular machines for active self-assembly : prototype algorithms, designs, and experimental study

Computer science and electrical engineering have been the great success story of the twentieth century. The neat modularity and mapping of a language onto circuits has led to robots on Mars, desktop computers and smartphones. But these devices are not yet able to do some of the things that life takes for granted: repair a scratch, reproduce, regenerate, or grow exponentially fast–all while remaining functional.

This thesis explores and develops algorithms, molecular implementations, and theoretical proofs in the context of “active self-assembly” of molecular systems. The long-term vision of active self-assembly is the theoretical and physical implementation of materials that are composed of reconfigurable units with the programmability and adaptability of biology’s numerous molecular machines. En route to this goal, we must first find a way to overcome the memory limitations of molecular systems, and to discover the limits of complexity that can be achieved with individual molecules.

One of the main thrusts in molecular programming is to use computer science as a tool for figuring out what can be achieved. While molecular systems that are Turing-complete have been demonstrated [Winfree, 1996], these systems still cannot achieve some of the feats biology has achieved.

One might think that because a system is Turing-complete, capable of computing “anything,” that it can do any arbitrary task. But while it can simulate any digital computational problem, there are many behaviors that are not “computations” in a classical sense, and cannot be directly implemented. Examples include exponential growth and molecular motion relative to a surface.

Passive self-assembly systems cannot implement these behaviors because (a) molecular motion relative to a surface requires a source of fuel that is external to the system, and (b) passive systems are too slow to assemble exponentially-fast-growing structures. We call these behaviors “energetically incomplete” programmable behaviors. This class of behaviors includes any behavior where a passive physical system simply does not have enough physical energy to perform the specified tasks in the requisite amount of time.

As we will demonstrate and prove, a sufficiently expressive implementation of an “active” molecular self-assembly approach can achieve these behaviors. Using an external source of fuel solves part of the the problem, so the system is not “energetically incomplete.” But the programmable system also needs to have sufficient expressive power to achieve the specified behaviors. Perhaps surprisingly, some of these systems do not even require Turing completeness to be sufficiently expressive.

Building on a large variety of work by other scientists in the fields of DNA nanotechnology, chemistry and reconfigurable robotics, this thesis introduces several research contributions in the context of active self-assembly.

We show that simple primitives such as insertion and deletion are able to generate complex and interesting results such as the growth of a linear polymer in logarithmic time and the ability of a linear polymer to treadmill. To this end we developed a formal model for active-self assembly that is directly implementable with DNA molecules. We show that this model is computationally equivalent to a machine capable of producing strings that are stronger than regular languages and, at most, as strong as context-free grammars. This is a great advance in the theory of active self- assembly as prior models were either entirely theoretical or only implementable in the context of macro-scale robotics.

We developed a chain reaction method for the autonomous exponential growth of a linear DNA polymer. Our method is based on the insertion of molecules into the assembly, which generates two new insertion sites for every initial one employed. The building of a line in logarithmic time is a first step toward building a shape in logarithmic time. We demonstrate the first construction of a synthetic linear polymer that grows exponentially fast via insertion. We show that monomer molecules are converted into the polymer in logarithmic time via spectrofluorimetry and gel electrophoresis experiments. We also demonstrate the division of these polymers via the addition of a single DNA complex that competes with the insertion mechanism. This shows the growth of a population of polymers in logarithmic time. We characterize the DNA insertion mechanism that we utilize in Chapter 4. We experimentally demonstrate that we can control the kinetics of this re- action over at least seven orders of magnitude, by programming the sequences of DNA that initiate the reaction.

In addition, we review co-authored work on programming molecular robots using prescriptive landscapes of DNA origami; this was the first microscopic demonstration of programming a molec- ular robot to walk on a 2-dimensional surface. We developed a snapshot method for imaging these random walking molecular robots and a CAPTCHA-like analysis method for difficult-to-interpret imaging data.

Scanning tunneling spectroscopic studies on high-temperature superconductors and Dirac materials

This thesis details the investigations of the unconventional low-energy quasiparticle excitations in electron-type cuprate superconductors and electron-type ferrous superconductors as well as the electronic properties of Dirac fermions in graphene and three-dimensional strong topological insulators through experimental studies using spatially resolved scanning tunneling spectroscopy (STS) experiments.

Magnetic-field- and temperature-dependent evolution of the spatially resolved quasiparticle spectra in the electron-type cuprate La_0.1Sr_0.9CuO₂ (La-112) T_C = 43 K, are investigated experimentally. For temperature (T) less than the superconducting transition temperature (TC), and in zero field, the quasiparticle spectra of La-112 exhibits gapped behavior with two coherence peaks and no satellite features. For magnetic field measurements at T < TC, first ever observation of vortices in La-112 are reported. Moreover, pseudogap-like spectra are revealed inside the core of vortices, where superconductivity is suppressed. The intra-vortex pseudogap-like spectra are characterized by an energy gap of V_PG = 8.5 ± 0.6 meV, while the inter-vortex quasiparticle spectra shows larger peak-to-peak gap values characterized by Δ_pk-pk(H) >V_PG, and Δ_pk-pk (0)=12.2 ± 0.8 meV > Δ_pk-pk (H > 0). The quasiparticle spectra are found to be gapped at all locations up to the highest magnetic field examined (H = 6T) and reveal an apparent low-energy cutoff at the V_PG energy scale.

Magnetic-field- and temperature-dependent evolution of the spatially resolved quasiparticle spectra in the electron-type "122" iron-based Ba(Fe_1-xCo_x)₂A_s2 are investigated for multiple doping levels (x = 0.06, 0.08, 0.12 with T_C= 14 K, 24 K, and 20 K). For all doping levels and the T < T_C, two-gap superconductivity is observed. Both superconducting gaps decrease monotonically in size with increasing temperature and disappear for temperatures above the superconducting transition temperature, T_C. Magnetic resonant modes that follow the temperature dependence of the superconducting gaps have been identified in the tunneling quasiparticle spectra. Together with quasiparticle interference (QPI) analysis and magnetic field studies, this provides strong evidence for two-gap sign-changing s-wave superconductivity.

Additionally spatial scanning tunneling spectroscopic studies are performed on mechanically exfoliated graphene and chemical vapor deposition grown graphene. In all cases lattice strain exerts a strong influence on the electronic properties of the sample. In particular topological defects give rise to pseudomagnetic fields (B ~ 50 Tesla) and charging effects resulting in quantized conductance peaks associated with the integer and fractional Quantum Hall States.

Finally, spectroscopic studies on the 3D-STI, Bi₂Se₃ found evidence of impurity resonance in the surface state. The impurities are in the unitary limit and the spectral resonances are localized spatially to within ~ 0.2 nm of the impurity. The spectral weight of the impurity resonance diverges as the Fermi energy approaches the Dirac point and the rapid recovery of the surface state suggests robust topological protection against perturbations that preserve time reversal symmetry.

Where Tori fear to tread : hypermassive neutron star remnants and absolute event horizons Or topics in computational general relativity

Computational general relativity is a field of study which has reached maturity only within the last decade. This thesis details several studies that elucidate phenomena related to the coalescence of compact object binaries. Chapters 2 and 3 recounts work towards developing new analytical tools for visualizing and reasoning about dynamics in strongly curved spacetimes. In both studies, the results employ analogies with the classical theory of electricity and magnitism, first (Ch. 2) in the post-Newtonian approximation to general relativity and then (Ch. 3) in full general relativity though in the absence of matter sources. In Chapter 4, we examine the topological structure of absolute event horizons during binary black hole merger simulations conducted with the SpEC code. Chapter 6 reports on the progress of the SpEC code in simulating the coalescence of neutron star-neutron star binaries, while Chapter 7 tests the effects of various numerical gauge conditions on the robustness of black hole formation from stellar collapse in SpEC. In Chapter 5, we examine the nature of pseudospectral expansions of non-smooth functions motivated by the need to simulate the stellar surface in Chapters 6 and 7. In Chapter 8, we study how thermal effects in the nuclear equation of state effect the equilibria and stability of hypermassive neutron stars. Chapter 9 presents supplements to the work in Chapter 8, including an examination of the stability question raised in Chapter 8 in greater mathematical detail.

Estudo dos fenômenos de transporte em cromatografia através da aplicação de modelos de rede e estocásticos

O estudo dos diferentes fenômenos de separação tem sido cada vez mais importante para os diferentes ramos da indústria e ciência. Devido à grande capacidade computacional atual, é possível modelar e analisar os fenômenos cromatográficos a nível microscópico. Os modelos de rede vêm sendo cada vez mais utilizados, para representar processos de separação por cromatografia, pois através destes pode-se representar os aspectos topológicos e morfológicos dos diferentes materiais adsorventes disponíveis no mercado. Neste trabalho visamos o desenvolvimento de um modelo de rede tridimensional para representação de uma coluna cromatográfica, a nível microscópico, onde serão modelados os fenômenos de adsorção, dessorção e dispersão axial através de um método estocástico. Também foram utilizadas diferentes abordagens com relação ao impedimento estérico Os resultados obtidos foram comparados a resultados experimentais. Depois é utilizado um modelo de rede bidimensional para representar um sistema de adsorção do tipo batelada, mantendo-se a modelagem dos fenômenos de adsorção e dessorção, e comparados a sistemas reais posteriormente. Em ambos os sistemas modelados foram analisada as constantes de equilíbrio, parâmetro fundamental nos sistemas de adsorção, e por fim foram obtidas e analisadas isotermas de adsorção. Foi possível concluir que, para os modelos de rede, os fenômenos de adsorção e dessorção bastam para obter perfis de saída similares aos vistos experimentalmente, e que o fenômeno da dispersão axial influência menos que os fenômenos cinéticos em questão

Chains of Non-regular de Branges Spaces

We consider canonical systems with singular left endpoints, and discuss the concept of a scalar spectral measure and the corresponding generalized Fourier transform associated with a canonical system with a singular left endpoint. We use the framework of de Branges’ theory of Hilbert spaces of entire functions to study the correspondence between chains of non-regular de Branges spaces, canonical systems with singular left endpoints, and spectral measures.

We find sufficient integrability conditions on a Hamiltonian H which ensure the existence of a chain of de Branges functions in the first generalized Pólya class with Hamiltonian H. This result generalizes de Branges’ Theorem 41, which showed the sufficiency of stronger integrability conditions on H for the existence of a chain in the Pólya class. We show the conditions that de Branges came up with are also necessary. In the case of Krein’s strings, namely when the Hamiltonian is diagonal, we show our proposed conditions are also necessary.

We also investigate the asymptotic conditions on chains of de Branges functions as t approaches its left endpoint. We show there is a one-to-one correspondence between chains of de Branges functions satisfying certain asymptotic conditions and chains in the Pólya class. In the case of Krein’s strings, we also establish the one-to-one correspondence between chains satisfying certain asymptotic conditions and chains in the generalized Pólya class.

Paranormal operator on a Hilbert space

In this thesis an extensive study is made of the set P of all paranormal operators in B(H), the set of all bounded endomorphisms on the complex Hilbert space H. T ϵ B(H) is paranormal if for each z contained in the resolvent set of T, d(z, σ(T))//(T-zI)^-1 = 1 where d(z, σ(T)) is the distance from z to σ(T), the spectrum of T. P contains the set N of normal operators and P contains the set of hyponormal operators. However, P is contained in L, the set of all T ϵ B(H) such that the convex hull of the spectrum of T is equal to the closure of the numerical range of T. Thus, N≤P≤L.

If the uniform operator (norm) topology is placed on B(H), then the relative topological properties of N, P, L can be discussed. In Section IV, it is shown that: 1) N P and L are arc-wise connected and closed, 2) N, P, and L are nowhere dense subsets of B(H) when dim H ≥ 2, 3) N = P when dimH ˂ ∞ , 4) N is a nowhere dense subset of P when dimH ˂ ∞ , 5) P is not a nowhere dense subset of L when dimH ˂ ∞ , and 6) it is not known if P is a nowhere dense subset of L when dimH ˂ ∞.

The spectral properties of paranormal operators are of current interest in the literature. Putnam [22, 23] has shown that certain points on the boundary of the spectrum of a paranormal operator are either normal eigenvalues or normal approximate eigenvalues. Stampfli [26] has shown that a hyponormal operator with countable spectrum is normal. However, in Theorem 3.3, it is shown that a paranormal operator T with countable spectrum can be written as the direct sum, N ⊕ A, of a normal operator N with σ(N) = σ(T) and of an operator A with σ(A) a subset of the derived set of σ(T). It is then shown that A need not be normal. If we restrict the countable spectrum of T ϵ P to lie on a C²-smooth rectifiable Jordan curve G_o, then T must be normal [see Theorem 3.5 and its Corollary]. If T is a scalar paranormal operator with countable spectrum, then in order to conclude that T is normal the condition of σ(T) ≤ G_o can be relaxed [see Theorem 3.6]. In Theorem 3.7 it is then shown that the above result is not true when T is not assumed to be scalar. It was then conjectured that if T ϵ P with σ(T) ≤ G_o, then T is normal. The proof of Theorem 3.5 relies heavily on the assumption that T has countable spectrum and cannot be generalized. However, the corollary to Theorem 3.9 states that if T ϵ P with σ(T) ≤ G_o, then T has a non-trivial lattice of invariant subspaces. After the completion of most of the work on this thesis, Stampfli [30, 31] published a proof that a paranormal operator T with σ(T) ≤ G_o is normal. His proof uses some rather deep results concerning numerical ranges whereas the proof of Theorem 3.5 uses relatively elementary methods.

Dualidade na teoria de Landau-Ginzburg da supercondutividade

Neste trabalho abordamos a teoria de Ginzburg-Landau da supercondutividade (teoria GL). Apresentamos suas origens, características e resultados mais importantes. A idéia fundamental desta teoria e descrever a transição de fase que sofrem alguns metais de uma fase normal para uma fase supercondutora. Durante uma transição de fase em supercondutores do tipo II é característico o surgimento de linhas de fluxo magnético em determinadas regiões de tamanho finito chamadas comumente de vórtices. A dinâmica destas estruturas topológicas é de grande interesse na comunidade científica atual e impulsiona incontáveis núcleos de pesquisa na área da supercondutividade. Baseado nisto estudamos como essas estruturas topológicas influenciam em uma transição de fase em um modelo bidimensional conhecido como modelo XY. No modelo XY vemos que os principais responsáveis pela transição de fase são os vórtices (na verdade pares de vórtice-antivórtice). Villain, observando este fato, percebeu que poderia tornar explícita a contribuição desses defeitos topológicos na função de partição do modelo XY realizando uma transformação de dualidade. Este modelo serve como inspiração para a proposta deste trabalho. Apresentamos aqui um modelo baseado em considerações físicas sobre sistemas de matéria condensada e ao mesmo tempo utilizamos um formalismo desenvolvido recentemente na referência [29] que possibilita tornar explícita a contribuição dos defeitos topológicos na ação original proposta em nossa teoria. Após isso analisamos alguns limites clássicos e finalmente realizamos as flutuações quânticas visando obter a expressão completa da função correlação dos vórtices o que pode ser muito útil em teorias de vórtices interagentes (dinâmica de vórtices).

Locally convex Riesz spaces and Archimedean quotient spaces

A Riesz space with a Hausdorff, locally convex topology determined by Riesz seminorms is called a locally convex Riesz space. A sequence {x_n} in a locally convex Riesz space L is said to converge locally to x ϵ L if for some topologically bounded set B and every real r ˃ 0 there exists N (r) and n ≥ N (r) implies x – x_n ϵ r^b. Local Cauchy sequences are defined analogously, and L is said to be locally complete if every local Cauchy sequence converges locally. Then L is locally complete if and only if every monotone local Cauchy sequence has a least upper bound. This is a somewhat more general form of the completeness criterion for Riesz – normed Riesz spaces given by Luxemburg and Zaanen. Locally complete, bound, locally convex Riesz spaces are barrelled. If the space is metrizable, local completeness and topological completeness are equivalent.

Two measures of the non-archimedean character of a non-archimedean Riesz space L are the smallest ideal A_o (L) such that quotient space is Archimedean and the ideal I (L) = { x ϵ L: for some 0 ≤ v ϵ L, n |x| ≤ v for n = 1, 2, …}. In general A_o (L) ᴝ I (L). If L is itself a quotient space, a necessary and sufficient condition that A_o (L) = I (L) is given. There is an example where A_o (L) ≠ I (L).

A necessary and sufficient condition that a Riesz space L have every quotient space Archimedean is that for every 0 ≤ u, v ϵ L there exist u₁ = sup (inf (n v, u): n = 1, 2, …), and real numbers m₁ and m₂ such that m₁ u₁ ≥ v₁ and m₂ v₁ ≥ u₁. If, in addition, L is Dedekind σ – complete, then L may be represented as the space of all functions which vanish off finite subsets of some non-empty set.

Dynamics of non-Abelian Aharonov-Bohm systems

This thesis examines several examples of systems in which non-Abelian magnetic flux and non-Abelian forms of the Aharonov-Bohm effect play a role. We consider the dynamical consequences in these systems of some of the exotic phenomena associated with non-Abelian flux, such as Cheshire charge holonomy interactions and non-Abelian braid statistics. First, we use a mean-field approximation to study a model of U(2) non-Abelian anyons near its free-fermion limit. Some self-consistent states are constructed which show a small SU(2)-breaking charge density that vanishes in the fermionic limit. This is contrasted with the bosonic limit where the SU(2) asymmetry of the ground state can be maximal. Second, a global analogue of Chesire charge is described, raising the possibility of observing Cheshire charge in condensedmatter systems. A potential realization in superfluid He-3 is discussed. Finally, we describe in some detail a method for numerically simulating the evolution of a network of non-Abelian (S₃) cosmic strings, keeping careful track of all magnetic fluxes and taking full account of their non-commutative nature. I present some preliminary results from this simulation, which is still in progress. The early results are suggestive of a qualitatively new, non-scaling behavior.

Algoritmos multi-objetivos para la optimización de una secuencia de matrices generadoras en computación cuántica topológica

Quantum Computing is a relatively modern field which simulates quantum computation conditions. Moreover, it can be used to estimate which quasiparticles would endure better in a quantum environment. Topological Quantum Computing (TQC) is an approximation for reducing the quantum decoherence problem1, which is responsible for error appearance in the representation of information. This project tackles specific instances of TQC problems using MOEAs (Multi-objective Optimization Evolutionary Algorithms). A MOEA is a type of algorithm which will optimize two or more objectives of a problem simultaneously, using a population based approach. We have implemented MOEAs that use probabilistic procedures found in EDAs (Estimation of Distribution Algorithms), since in general, EDAs have found better solutions than ordinary EAs (Evolutionary Algorithms), even though they are more costly. Both, EDAs and MOEAs are population-based algorithms. The objective of this project was to use a multi-objective approach in order to find good solutions for several instances of a TQC problem. In particular, the objectives considered in the project were the error approximation and the length of a solution. The tool we used to solve the instances of the problem was the multi-objective framework PISA. Because PISA has not too much documentation available, we had to go through a process of reverse-engineering of the framework to understand its modules and the way they communicate with each other. Once its functioning was understood, we began working on a module dedicated to the braid problem. Finally, we submitted this module to an exhaustive experimentation phase and collected results.

Teoria de Landau-Ginzburg para o estado supercondutor nemático

O objetivo geral deste projeto é propor um modelo bidimensional que descreva o novo estado supercondutor, que apresenta simetria de cristal líquido, chamado de supercondutor nemático. O estudo começa com uma introdução sobre a teoria de Landau-Ginzburg das transições de fase, onde são discutidos conceitos como parâmetro de ordem e as ordens das transições de fase, que são essenciais para o desenvolvimento deste projeto. Em seguida, é feita uma discussão sobre as principais características dos supercondutores como a resistência zero, o efeito Meissner-Ochsenfeld, os tipos de supercondutores, o surgimento de vórtices e uma análise sobre a teoria de Landau-Ginzburg para transição de fase metal-supercondutor. Após isto, é feita uma abordagem sobre os principais tipos de cristais líquidos, com destaque ao cristal líquido nemático, onde é desenvolvida a teoria de Landau-Ginzburg para transição de fase isotrópica-nemática e um estudo sobre o surgimento de disclinações no cristal líquido nemático em duas dimensões. Por fim, é apresentado o modelo proposto para descrever o estado supercondutor nemático, com a construção da teoria de Landau-Ginzburg, o estudo do acoplamento entre as fases e os defeitos topológicos presentes nesse estado.

Produção de oscillons durante restaurações e quebras espontâneas de simetrias

Na natureza há vários fenômenos envolvendo transições de fase com quebra ou restauração de simetrias. Tipicamente, mudanças de fase, são associadas com uma quebra ou restauração de simetria, que acontecem quando um determinado parâmetro de controle é variado, como por exemplo temperatura, densidade, campos externos, ou de forma dinâmica. Essas mudanças que os sistemas sofrem podem levar a formação de defeitos topológicos, tais como paredes de domínios, vórtices ou monopolos magnéticos. Nesse trabalho estudamos particularmente mudanças de fase associadas com quebras ou restaurações dinâmicas de simetria que estão associadas com formação ou destruição de defeitos do tipo paredes de domínio em modelos de campos escalares com simetria discreta. Nesses processos dinâmicos com formação ou destruição de domínios, estudamos a possibilidade de formação de estruturas do tipo oscillons, que são soluções não homogêneas e instáveis de campo, mas que podem concentrar nelas uma quantidade apreciável de energia e terem uma vida (duração) suficientemente grande para serem de importância física. Estudamos a possibilidade de formação dessas soluções em modelos de dois campos escalares interagentes em que o sistema é preparado em diferentes situações, com a dinâmica resultante nesses sistemas estudada numa rede discreta.