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Description
he accurate simulation of many-body quantum systems is a challenge for computational physics. Quantum Monte Carlo methods are a class of algorithms that can be used to solve the many-body problem. I study many-body quantum systems with Path Integral Monte Carlo techniques in three related areas of semiconductor physics: (1)

he accurate simulation of many-body quantum systems is a challenge for computational physics. Quantum Monte Carlo methods are a class of algorithms that can be used to solve the many-body problem. I study many-body quantum systems with Path Integral Monte Carlo techniques in three related areas of semiconductor physics: (1) the role of correlation in exchange coupling of spins in double quantum dots, (2) the degree of correlation and hyperpolarizability in Stark shifts in InGaAs/GaAs dots, and (3) van der Waals interactions between 1-D metallic quantum wires at finite temperature. The two-site model is one of the simplest quantum problems, yet the quantitative mapping from a three-dimensional model of a quantum double dot to an effective two-site model has many subtleties requiring careful treatment of exchange and correlation. I calculate exchange coupling of a pair of spins in a double dot from the permutations in a bosonic path integral, using Monte Carlo method. I also map this problem to a Hubbard model and find that exchange and correlation renormalizes the model parameters, dramatically decreasing the effective on-site repulsion at larger separations. Next, I investigated the energy, dipole moment, polarizability and hyperpolarizability of excitonic system in InGaAs/GaAs quantum dots of different shapes and successfully give the photoluminescence spectra for different dots with electric fields in both the growth and transverse direction. I also showed that my method can deal with the higher-order hyperpolarizability, which is most relevant for fields directed in the lateral direction of large dots. Finally, I show how van der Waals interactions between two metallic quantum wires change with respect to the distance between them. Comparing the results from quantum Monte Carlo and the random phase approximation, I find similar power law dependance. My results for the calculation in quasi-1D and exact 1D wires include the effect of temperature, which has not previously been studied.
ContributorsZhang, Lei (Author) / Shumway, John (Thesis advisor) / Schmidt, Kevin (Committee member) / Bennet, Peter (Committee member) / Menéndez, Jose (Committee member) / Drucker, Jeff (Committee member) / Arizona State University (Publisher)
Created2011
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Description
Lonsdaleite, also called hexagonal diamond, has been widely used as a marker of asteroidal impacts. It is thought to play a central role during the graphite-to-diamond transformation, and calculations suggest that it possesses mechanical properties superior to diamond. However, despite extensive efforts, lonsdaleite has never been produced or described as

Lonsdaleite, also called hexagonal diamond, has been widely used as a marker of asteroidal impacts. It is thought to play a central role during the graphite-to-diamond transformation, and calculations suggest that it possesses mechanical properties superior to diamond. However, despite extensive efforts, lonsdaleite has never been produced or described as a separate, pure material. Here we show that defects in cubic diamond provide an explanation for the characteristic d-spacings and reflections reported for lonsdaleite. Ultrahigh-resolution electron microscope images demonstrate that samples displaying features attributed to lonsdaleite consist of cubic diamond dominated by extensive {113} twins and {111} stacking faults. These defects give rise to nanometre-scale structural complexity. Our findings question the existence of lonsdaleite and point to the need for re-evaluating the interpretations of many lonsdaleite-related fundamental and applied studies.
Created2014-11-01
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Description
Human-robot interactions can often be formulated as general-sum differential games where the equilibrial policies are governed by Hamilton-Jacobi-Isaacs (HJI) equations. Solving HJI PDEs faces the curse of dimensionality (CoD). While physics-informed neural networks (PINNs) alleviate CoD in solving PDEs with smooth solutions, they fall short in learning discontinuous solutions due

Human-robot interactions can often be formulated as general-sum differential games where the equilibrial policies are governed by Hamilton-Jacobi-Isaacs (HJI) equations. Solving HJI PDEs faces the curse of dimensionality (CoD). While physics-informed neural networks (PINNs) alleviate CoD in solving PDEs with smooth solutions, they fall short in learning discontinuous solutions due to their sampling nature. This causes PINNs to have poor safety performance when they are applied to approximate values that are discontinuous due to state constraints. This dissertation aims to improve the safety performance of PINN-based value and policy models. The first contribution of the dissertation is to develop learning methods to approximate discontinuous values. Specifically, three solutions are developed: (1) hybrid learning uses both supervisory and PDE losses, (2) value-hardening solves HJIs with increasing Lipschitz constant on the constraint violation penalty, and (3) the epigraphical technique lifts the value to a higher-dimensional state space where it becomes continuous. Evaluations through 5D and 9D vehicle and 13D drone simulations reveal that the hybrid method outperforms others in terms of generalization and safety performance. The second contribution is a learning-theoretical analysis of PINN for value and policy approximation. Specifically, by extending the neural tangent kernel (NTK) framework, this dissertation explores why the choice of activation function significantly affects the PINN generalization performance, and why the inclusion of supervisory costate data improves the safety performance. The last contribution is a series of extensions of the hybrid PINN method to address real-time parameter estimation problems in incomplete-information games. Specifically, a Pontryagin-mode PINN is developed to avoid costly computation for supervisory data. The key idea is the introduction of a costate loss, which is cheap to compute yet effectively enables the learning of important value changes and policies in space-time. Building upon this, a Pontryagin-mode neural operator is developed to achieve state-of-the-art (SOTA) safety performance across a set of differential games with parametric state constraints. This dissertation demonstrates the utility of the resultant neural operator in estimating player constraint parameters during incomplete-information games.
ContributorsZhang, Lei (Author) / Ren, Yi (Thesis advisor) / Si, Jennie (Committee member) / Berman, Spring (Committee member) / Zhang, Wenlong (Committee member) / Xu, Zhe (Committee member) / Arizona State University (Publisher)
Created2024
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Description
Small and medium-sized enterprises (SMEs) have emerged as a vital force in the economic development of our country, significantly influencing national economic growth, employment rates, market competition, and innovation. Consequently, the ability of SMEs to achieve stable performance growth is crucial for socio-economic development. Previous research has identified factors such

Small and medium-sized enterprises (SMEs) have emerged as a vital force in the economic development of our country, significantly influencing national economic growth, employment rates, market competition, and innovation. Consequently, the ability of SMEs to achieve stable performance growth is crucial for socio-economic development. Previous research has identified factors such as political connections, cash flow, capital, and information technology as significant contributors to business growth. However, SMEs often lack these resources or cannot control them, making existing research inadequate for guiding the performance growth of SMEs.To address this issue, this study is grounded in the resource-based view and constructs a theoretical model on the impact of SME strategic completeness on performance growth. This model is based on literature research and in-depth interviews. It highlights the mediating roles of market adaptability, operational agility, and employee proactivity. Additionally, the model examines the moderating effects of competitive intensity, strategic implementation capability, and management digitalization. The study collected 203 valid SME samples for analysis and hypothesis testing, yielding the following conclusions: (1)The more comprehensive the business strategy, the better the adaptability to external markets, the higher the operational agility, and the stronger the initiative of employees. (2)Better market adaptability leads to faster performance growth. (3)Higher operational agility accelerates performance growth. (4)Greater employee initiative enhances performance growth. (5)The stronger the external competitive intensity faced by a business, the more effective a well-developed strategy is in improving market adaptability, operational agility, and employee initiative. (6)Stronger strategic implementation capabilities further enhance the effectiveness of a well-developed strategy in improving market adaptability and employee initiative. (7)A higher level of management digitalization enhances the effects of market adaptability, operational agility, and employee initiative, thereby boosting business performance. This study offers theoretical and practical value by clarifying the paths, mechanisms, and boundary conditions through which strategic completeness promotes business performance growth, enriching the theoretical system of SME performance growth. Furthermore, by integrating the cutting-edge concept of management digitalization into the research on strategic completeness and performance growth, this study contributes to the development and refinement of the research framework. Practically, it provides strategic recommendations for SMEs on how to enhance business performance growth through strategic completeness.
ContributorsZhang, Lei (Author) / Wang, Lili (Thesis advisor) / Guo, Qigui (Thesis advisor) / Gu, Bin (Committee member) / Arizona State University (Publisher)
Created2024
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Description
Modular multilevel converters (MMCs) have become an attractive technology for high power applications. One of the main challenges associated with control and operation of the MMC-based systems is to smoothly precharge submodule (SM) capacitors to the nominal voltage during the startup process. The existing closed-loop methods require additional effort to

Modular multilevel converters (MMCs) have become an attractive technology for high power applications. One of the main challenges associated with control and operation of the MMC-based systems is to smoothly precharge submodule (SM) capacitors to the nominal voltage during the startup process. The existing closed-loop methods require additional effort to analyze the small-signal model of MMC and tune control parameters. The existing open-loop methods require auxiliary voltage sources to charge SM capacitors, which add to the system complexity and cost. A generalized precharging strategy is proposed in this thesis.

For large-scale MMC-embedded power systems, it is required to investigate dynamic performance, fault characteristics, and stability. Modeling of the MMC is one of the challenges associated with the study of large-scale MMC-based power systems. The existing models of MMC did not consider the various configurations of SMs and different operating conditions. An improved equivalent circuit model is proposed in this thesis.

The solid state transformer (SST) has been investigated for the distribution systems to reduce the volume and weight of power transformer. Recently, the MMC is employed into the SST due to its salient features. For design and control of the MMC-based SST, its operational principles are comprehensively analyzed. Based on the analysis, its mathematical model is developed for evaluating steady-state performances. For optimal design of the MMC-based SST, the mathematical model is modified by considering circuit parameters.

One of the challenges of the MMC-based SST is the balancing of capacitor voltages. The performances of various voltage balancing algorithms and different modulation methods have not been comprehensively evaluated. In this thesis, the performances of different voltage-balancing algorithms and modulation methods are analyzed and evaluated. Based on the analysis, two improved voltage-balancing algorithms are proposed in this thesis.

For design of the MMC-based SST, existing references only focus on optimal design of medium-frequency transformer (MFT). In this thesis, an optimal design procedure is developed for the MMC under medium-frequency operation based on the mathematical model of the MMC-based SST. The design performance of MMC is comprehensively evaluated based on free system parameters.
ContributorsZhang, Lei (Author) / Qin, Jiangchao (Thesis advisor) / Ayyanar, Raja (Committee member) / Weng, Yang (Committee member) / Wu, Meng (Committee member) / Arizona State University (Publisher)
Created2020
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Description

Novel hydride chemistries are employed to deposit light-emitting Ge1-y Snyalloys with y ≤ 0.1 by Ultra-High Vacuum Chemical Vapor Deposition (UHV-CVD) on Ge-buffered Si wafers. The properties of the resultant materials are systematically compared with similar alloys grown directly on Si wafers. The fundamental difference between the two systems is a fivefold

Novel hydride chemistries are employed to deposit light-emitting Ge1-y Snyalloys with y ≤ 0.1 by Ultra-High Vacuum Chemical Vapor Deposition (UHV-CVD) on Ge-buffered Si wafers. The properties of the resultant materials are systematically compared with similar alloys grown directly on Si wafers. The fundamental difference between the two systems is a fivefold (and higher) decrease in lattice mismatch between film and virtual substrate, allowing direct integration of bulk-like crystals with planar surfaces and relatively low dislocation densities. For y ≤ 0.06, the CVD precursors used were digermane Ge2H6 and deuterated stannane SnD4. For y ≥ 0.06, the Ge precursor was changed to trigermane Ge3H8, whose higher reactivity enabled the fabrication of supersaturated samples with the target film parameters. In all cases, the Ge wafers were produced using tetragermane Ge4H10 as the Ge source. The photoluminescence intensity from Ge1-y Sny /Ge films is expected to increase relative to Ge1-y Sny /Si due to the less defected interface with the virtual substrate. However, while Ge1-y Sny /Si films are largely relaxed, a significant amount of compressive strain may be present in the Ge1-y Sny /Ge case. This compressive strain can reduce the emission intensity by increasing the separation between the direct and indirect edges. In this context, it is shown here that the proposed CVD approach to Ge1-y Sny /Ge makes it possible to approach film thicknesses of about 1  μm, for which the strain is mostly relaxed and the photoluminescence intensity increases by one order of magnitude relative to Ge1-y Sny /Si films. The observed strain relaxation is shown to be consistent with predictions from strain-relaxation models first developed for the Si1-x Gex /Si system. The defect structure and atomic distributions in the films are studied in detail using advanced electron-microscopy techniques, including aberration corrected STEM imaging and EELS mapping of the average diamond–cubic lattice.

ContributorsSenaratne, Charutha Lasitha (Author) / Gallagher, J. D. (Author) / Jiang, Liying (Author) / Aoki, Toshihiro (Author) / Smith, David (Author) / Menéndez, Jose (Author) / Kouvetakis, John (Author) / Department of Chemistry and Biochemistry (Contributor)
Created2014-10-07
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Description

The phenomenon of Fano resonance is ubiquitous in a large variety of wave scattering systems, where the resonance profile is typically asymmetric. Whether the parameter characterizing the asymmetry should be complex or real is an issue of great experimental interest. Using coherent quantum transport as a paradigm and taking into

The phenomenon of Fano resonance is ubiquitous in a large variety of wave scattering systems, where the resonance profile is typically asymmetric. Whether the parameter characterizing the asymmetry should be complex or real is an issue of great experimental interest. Using coherent quantum transport as a paradigm and taking into account of the collective contribution from all available scattering channels, we derive a universal formula for the Fano-resonance profile. We show that our formula bridges naturally the traditional Fano formulas with complex and real asymmetry parameters, indicating that the two types of formulas are fundamentally equivalent (except for an offset). The connection also reveals a clear footprint for the conductance resonance during a dephasing process. Therefore, the emergence of complex asymmetric parameter when fitting with experimental data needs to be properly interpreted. Furthermore, we have provided a theory for the width of the resonance, which relates explicitly the width to the degree of localization of the close-by eigenstates and the corresponding coupling matrices or the self-energies caused by the leads. Our work not only resolves the issue about the nature of the asymmetry parameter, but also provides deeper physical insights into the origin of Fano resonance. Since the only assumption in our treatment is that the transport can be described by the Green’s function formalism, our results are also valid for broad disciplines including scattering problems of electromagnetic waves, acoustics, and seismology.

ContributorsHuang, Liang (Author) / Lai, Ying-Cheng (Author) / Luo, Hong-Gang (Author) / Grebogi, Celso (Author) / Ira A. Fulton Schools of Engineering (Contributor)
Created2015-01-01
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Description

Persistent currents (PCs), one of the most intriguing manifestations of the Aharonov-Bohm (AB) effect, are known to vanish for Schrödinger particles in the presence of random scatterings, e.g., due to classical chaos. But would this still be the case for Dirac fermions? Addressing this question is of significant value due

Persistent currents (PCs), one of the most intriguing manifestations of the Aharonov-Bohm (AB) effect, are known to vanish for Schrödinger particles in the presence of random scatterings, e.g., due to classical chaos. But would this still be the case for Dirac fermions? Addressing this question is of significant value due to the tremendous recent interest in two-dimensional Dirac materials. We investigate relativistic quantum AB rings threaded by a magnetic flux and find that PCs are extremely robust. Even for highly asymmetric rings that host fully developed classical chaos, the amplitudes of PCs are of the same order of magnitude as those for integrable rings, henceforth the term superpersistent currents (SPCs). A striking finding is that the SPCs can be attributed to a robust type of relativistic quantum states, i.e., Dirac whispering gallery modes (WGMs) that carry large angular momenta and travel along the boundaries. We propose an experimental scheme using topological insulators to observe and characterize Dirac WGMs and SPCs, and speculate that these features can potentially be the base for a new class of relativistic qubit systems. Our discovery of WGMs in relativistic quantum systems is remarkable because, although WGMs are common in photonic systems, they are relatively rare in electronic systems.

ContributorsXu, Hongya (Author) / Huang, Liang (Author) / Lai, Ying-Cheng (Author) / Grebogi, Celso (Author) / Ira A. Fulton Schools of Engineering (Contributor)
Created2015-03-11
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Description

The emission properties of GeSn heterostructure pin diodes have been investigated. The devices contain thick (400–600 nm) Ge1-y Sny i-layers spanning a broad compositional range below and above the crossover Sn concentration yc where the Ge1-y Sny alloy becomes a direct-gap material. These results are made possible by an optimized device

The emission properties of GeSn heterostructure pin diodes have been investigated. The devices contain thick (400–600 nm) Ge1-y Sny i-layers spanning a broad compositional range below and above the crossover Sn concentration yc where the Ge1-y Sny alloy becomes a direct-gap material. These results are made possible by an optimized device architecture containing a single defected interface thereby mitigating the deleterious effects of mismatch-induced defects. The observed emission intensities as a function of composition show the contributions from two separate trends: an increase in direct gap emission as the Sn concentration is increased, as expected from the reduction and eventual reversal of the separation between the direct and indirect edges, and a parallel increase in non-radiative recombination when the mismatch strains between the structure components is partially relaxed by the generation of misfit dislocations. An estimation of recombination times based on the observed electroluminescence intensities is found to be strongly correlated with the reverse-bias dark current measured in the same devices.

ContributorsGallagher, J. D. (Author) / Senaratne, Charutha Lasitha (Author) / Sims, Patrick (Author) / Aoki, Toshihiro (Author) / Menéndez, Jose (Author) / Kouvetakis, John (Author) / College of Liberal Arts and Sciences (Contributor)
Created2015-03-02
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Description

The development of non-volatile logic through direct coupling of spontaneous ferroelectric polarization with semiconductor charge carriers is nontrivial, with many issues, including epitaxial ferroelectric growth, demonstration of ferroelectric switching and measurable semiconductor modulation. Here we report a true ferroelectric field effect—carrier density modulation in an underlying Ge(001) substrate by switching

The development of non-volatile logic through direct coupling of spontaneous ferroelectric polarization with semiconductor charge carriers is nontrivial, with many issues, including epitaxial ferroelectric growth, demonstration of ferroelectric switching and measurable semiconductor modulation. Here we report a true ferroelectric field effect—carrier density modulation in an underlying Ge(001) substrate by switching of the ferroelectric polarization in epitaxial c-axis-oriented BaTiO3 grown by molecular beam epitaxy. Using the density functional theory, we demonstrate that switching of BaTiO3 polarization results in a large electric potential change in Ge. Aberration-corrected electron microscopy confirms BaTiO3 tetragonality and the absence of any low-permittivity interlayer at the interface with Ge. The non-volatile, switchable nature of the single-domain out-of-plane ferroelectric polarization of BaTiO3 is confirmed using piezoelectric force microscopy. The effect of the polarization switching on the conductivity of the underlying Ge is measured using microwave impedance microscopy, clearly demonstrating a ferroelectric field effect.

ContributorsPonath, Patrick (Author) / Fredrickson, Kurt (Author) / Posadas, Agham B. (Author) / Ren, Yuan (Author) / Wu, Xiaoyu (Author) / Vasudevan, Rama K. (Author) / Okatan, M. Baris (Author) / Jesse, S. (Author) / Aoki, Toshihiro (Author) / McCartney, Martha (Author) / Smith, David (Author) / Kalinin, Sergei V. (Author) / Lai, Keji (Author) / Demkov, Alexander A. (Author) / Ira A. Fulton Schools of Engineering (Contributor)
Created2015-01-01