Thermodynamic Properties Of Transverse Field Quantum Ising Model Using Tensor Network Formalism,
2020
Universiti Malaya
Thermodynamic Properties Of Transverse Field Quantum Ising Model Using Tensor Network Formalism, Sin Yang Pang
Student Works (2020-2029)
Ising model has been successful in describing ferromagnetism and its phase transition to paramagnet. At the critical point, the free energy density function and its derivatives diverge. Their behaviour near the critical point are described by power-laws with associated critical exponents. In many cases, the critical exponents can be determined from analytic solutions via conventional renormalization groups methods or from Monte Carlo simulations. However, for quantum many-body systems, very few are tractable to analytical solutions. The quantum many-body wavefunction belongs to large dimensional Hilbert space that increases exponentially with system size. If the Hamiltonian is gapped and only local interaction …
Duality In A Model Of Layered Superfluids And Sliding Phases,
2020
CUNY Graduate Center
Duality In A Model Of Layered Superfluids And Sliding Phases, Steven Vayl
Dissertations, Theses, and Capstone Projects
The intent of my project is to determine if the proposal of sliding phases in XY layered systems has physical ground. It will be done by comparing numerical and analytical results for a layered XY models. Sliding phases were first proposed in the context of DNA complexes and then extended to XY models, 1D coupled wires and superfluid films. The existence of the sliding phase would mean that there is a phase transition from 3D to 2D behavior. Such systems have been studied both in the clean case and with disorder. The idea of the sliding phases is based on …
Computational Modeling Of Charge And Excitation Energy Transfer Dynamics In Complex Environments,
2020
CUNY Graduate Center
Computational Modeling Of Charge And Excitation Energy Transfer Dynamics In Complex Environments, Ning Chen
Dissertations, Theses, and Capstone Projects
This thesis describes computational simulations of charge and exciton dynamics and quantum calculations of organic conjugated oligomers. A comprehensive computational study of charge hopping dynamics was conducted for a model of disordered chain of sites coupled to quantum environments. Time-dependent mean square displacement, diffusion constant, and mobility were calculated by three different computational methods for solving the master equation, which validate the accuracy of calculations. Approximate rate kernels were also tested to understand the effects of approximations in representing quantum environments. In addition to the effects of temperature and disorder, different values of the gradient in the site energy were …
Density Functional Theory Study Of Two-Dimensional Boron Nitride Films,
2020
CUNY Graduate Center
Density Functional Theory Study Of Two-Dimensional Boron Nitride Films, Pradip R. Niraula
Dissertations, Theses, and Capstone Projects
Since graphene was isolated in 2004, the number of two-dimensional (2D) materials and their scientific relevance have grown exponentially. Besides graphene, one of the most important and technolocially promizing 2D materials that has emerged in recent years is hexagonal boron nitride, in its monolayer or multilayer form. In my thesis work, I used density functional theory (DFT) calculations to investigate the properties of boron nitride films. In particular, I first studied the properties (i.e. formation energy, defect states, and structure) of point charged defects in monolayer and bilayer hexagonal boron nitride, and subsequently, I focused on the linear and nonlinear …
Dual-Axis Solar Tracker,
2020
Central Washington University
Dual-Axis Solar Tracker, Bryan Kennedy
All Undergraduate Projects
Renewable energies, and fuels that are not fossil fuel-based, are one of the prolific topics of debate in modern society. With climate change now becoming a primary focus for scientists and innovators of today, one of the areas for the largest amount of potential and growth is that of the capturing and utilization of Solar Energy. This method involves using a mechanical system to track the progression of the sun as it traverses the sky throughout the day. A dual-axis solar tracker such as the one designed and built for this project, can follow the sun both azimuthally and in …
Luminescence Emission In A Nanocrystal Doped By A Transition Metal Impurity,
2020
Marshall University
Luminescence Emission In A Nanocrystal Doped By A Transition Metal Impurity, George Chappell Jr.
Theses, Dissertations and Capstones
In this thesis we consider the structure of magnetic ion centers with 3d-electrons in quantum dots under the effects of Coulomb and exchange interaction between the 3d-electrons of the impurity centers and the confined electrons (or holes) existing inside the nanocrystals. In particular, we are interested how this interaction changes the photoluminescence properties of those materials. We will make use of representation theory and the symmetry of the crystal structure to find the orthonormal wave functions that make up the wave functions of the outer, 3d-electrons inside our dot. The Coulomb and exchange interaction …
Double Inclusive Small-X Gluon Production And Their Azimuthal Correlations In A Biased Ensemble,
2020
CUNY Graduate Center
Double Inclusive Small-X Gluon Production And Their Azimuthal Correlations In A Biased Ensemble, Gary Kapilevich
Publications and Research
We consider double gg → g production in the presence of a bias on the unintegrated gluon distribution of the colliding hadrons or nuclei. Such bias could be due to the selection of configurations with a greater number of gluons or higher mean transverse momentum squared or, more generally, due to a modified spectral shape of the gluon distribution in the hadrons. Hence, we consider reweighted functional averages over the stochastic ensemble of small-x gluons. We evaluate explicitly the double inclusive gluon transverse momentum spectrum in high-energy collisions, and their azimuthal correlations, for a few simple examples of biases.
Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study,
2020
Michigan Technological University
Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study, Sahil Dhoka
Dissertations, Master's Theses and Master's Reports
First-principles calculations are performed on γ-FeSi2 nanostructures grown on Si (111) and (001) substrate. An attempt to explain the origin of emergent magnetic properties of the metastable gamma phase of iron di-silicide (γ-FeSi2) is made, which show ferromagnetic behavior on nanoscale, unlike its possible bulk form. Many papers try to explain this magnetism from factors like bulk, epitaxial strain, interface, surface, edges, and corners but doesn’t provide an analytical study for these explanations. Density functional theory is used to analyze the magnetic effects of these factors. The results for the epitaxial structures show no magnetic behavior for …
Recent Developments In The Pyscf Program Package,
2020
Old Dominion University
Recent Developments In The Pyscf Program Package, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Gun, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. Mcclain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximillian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan
University Administration Publications
PySCF is a Python-based general-purpose electronic structure platform that supports first-principles simulations of molecules and solids as well as accelerates the development of new methodology and complex computational workflows. This paper explains the design and philosophy behind PySCF that enables it to meet these twin objectives. With several case studies, we show how users can easily implement their own methods using PySCF as a development environment. We then summarize the capabilities of PySCF for molecular and solid-state simulations. Finally, we describe the growing ecosystem of projects that use PySCF across the domains of quantum chemistry, materials science, machine learning, and …
Decay And Dissipation: Finding Energy Level Jumps In A Harmonic Oscillator System Using Fortran And Fourier Analysis,
2020
Claremont Colleges
Decay And Dissipation: Finding Energy Level Jumps In A Harmonic Oscillator System Using Fortran And Fourier Analysis, Clara Chilton
Scripps Senior Theses
In this paper, I will look at a mass-spring system that can be described by a Hamiltonian. In most systems described by a Hamiltonian, the energy levels will be quantized, and the system will be able to jump between them. However, many methods of finding these jumps aren’t well-suited to numerical analysis. I’ll use a Markovian approximation (The Liouville von Neuman Equation), which allows me to use only the last time step to find the current one. Using this, I will analyze the system to find the time evolution of the probability density matrix – whose diagonal shows the probability …
Density Functional Calculations On Single Molecular (1d) And Van Der Waals Bi -Layered (2d) Magnets.,
2020
University of Texas at El Paso
Density Functional Calculations On Single Molecular (1d) And Van Der Waals Bi -Layered (2d) Magnets., Md Shamsul Alam
Open Access Theses & Dissertations
Low-dimensional magnetic materials show novel properties that is not seen in bulk magnets. The weak interactions such as spin-orbit interactions, electron correlation, van der Waals interaction in case magnetic bi-layers, play an important role in determining the properties of the system. Using density functional theory, we computationally investigated two categories of magnetic material- 1: Single Molecular Magnets (SMM) 2: Van der Waals layered Cr-Halide magnets. We used different classes of density functionals to examine the spin ordering and magnetic anisotropy barriers in several single molecule magnets - Mn12, Co4, Ni4, V15. We find that the magnetic anisotropy barrier significantly depends …
Development And Assesment Of Local Scaled Self-Interaction Corrected Density Functional Method With Simple Scaling Factor,
2020
University of Texas at El Paso
Development And Assesment Of Local Scaled Self-Interaction Corrected Density Functional Method With Simple Scaling Factor, Selim Romero
Open Access Theses & Dissertations
The Hohenberg-Kohn-Sham (HKS) density functional theory (DFT) is widely used to compute electronic structures of atoms, molecules, and solids. It is an exact theory in which ground state electron density plays the role of basic variable, same as the wavefunction does in quantum mechanics. The total ground state energy is a functional of electron density. The practical application of HKS DFT require approximation to the exchange-correlation energy functional. Many density functional approximations (DFAs) with various degree of sophistication and complexities have been developed. Depending on the complexity, these functionals include electron density, density gradients, density Laplacian, kinetic energy densities, Hartree-Fock …
Origin Of Single Transverse-Spin Asymmetries In High-Energy Collisions,
2020
William & Mary
Origin Of Single Transverse-Spin Asymmetries In High-Energy Collisions, Justin Cammarota, Leonard Gamberg, Zhong-Bo Kang, Joshua A. Miller, Daniel Pitonyak, Alexei Prokudin, Ted C. Rogers, Nobuo Sato
Physics Faculty Publications
In this paper, we perform the first simultaneous QCD global analysis of data from semi-inclusive deep inelastic scattering, Drell-Yan, 𝑒+𝑒− annihilation into hadron pairs, and proton-proton collisions. Consequently, we are able to extract a universal set of nonperturbative functions that describes the observed asymmetries in these reactions. The outcome of our analysis indicates single transverse-spin asymmetries in high-energy collisions have a common origin. Furthermore, we achieve the first phenomenological agreement with lattice QCD on the up and down quark tensor charges.
Optical-Depth Scaling Of Light Scattering From A Dense And Cold Atomic 87Rb Gas,
2020
Old Dominion University
Optical-Depth Scaling Of Light Scattering From A Dense And Cold Atomic 87Rb Gas, K. J. Kemp, S. J. Roof, M. D. Havey, I. M. Sokolov, D. V. Kupriyanov, W. Guerin
Physics Faculty Publications
We report investigation of near-resonance light scattering from a cold and dense atomic gas of 87Rb atoms. Measurements are made for probe frequencies tuned near the F=2→ F'=3 nearly closed hyperfine transition, with particular attention paid to the dependence of the scattered light intensity on detuning from resonance, the number of atoms in the sample, and atomic sample size. We find that, over a wide range of experimental variables, the optical depth of the atomic sample serves as an effective single scaling parameter which describes well all the experimental data.
Intrinsic Transverse Momentum And Evolution In Weighted Spin Asymmetries,
2020
Old Dominion University
Intrinsic Transverse Momentum And Evolution In Weighted Spin Asymmetries, Jian-Wei Qiu, Ted C. Rogers, Bowen Wang
Physics Faculty Publications
The transverse momentum-dependent (TMD) and collinear higher twist theoretical factorization frameworks are the most frequently used approaches to describe spin-dependent hard cross sections weighted by and integrated over transverse momentum. Of particular interest is the contribution from small transverse momentum associated with the target bound state. In phenomenological applications, this contribution is often investigated using transverse momentum weighted integrals that sharply regulate the large transverse momentum contribution, for example, with Gaussian parametrizations. Since the result is a kind of hybrid of TMD and collinear (inclusive) treatments, it is important to establish if and how the formalisms are related in applications …
B-Meson Light-Cone Distribution Amplitude From Euclidean Quantities,
2020
Old Dominion University
B-Meson Light-Cone Distribution Amplitude From Euclidean Quantities, Wei Wang, Yu-Ming Wang, Ji Xu, Shuai Zhao
Physics Faculty Publications
A new method for the model-independent determination of the light-cone distribution amplitude of the B-meson in heavy quark effective theory (HQET) is proposed by combining the large momentum effective theory and the numerical simulation technique on the Euclidean lattice. We demonstrate the autonomous scale dependence of the nonlocal quasi-HQET operator with the aid of the auxiliary field approach, and further determine the perturbative matching coefficient entering the hard-collinear factorization formula for the B-meson quasidistribution amplitude at the one-loop accuracy. These results will be crucial to explore the partonic structure of heavy-quark hadrons in the static limit and to …
Gluon Pseudo-Distributions At Short Distances: Forward Case,
2020
Old Dominion University
Gluon Pseudo-Distributions At Short Distances: Forward Case, Ian Balitsky, Wayne Morris, Anatoly Radyushkin
Physics Faculty Publications
We present the results that are necessary in the ongoing lattice calculations of the gluon parton distribution functions (PDFs) within the pseudo-PDF approach. We give a classification of possible two-gluon correlator functions and identify those that contain the invariant amplitude determining the gluon PDF in the light-cone z2 → 0 limit. One-loop calculations have been performed in the coordinate representation and in an explicitly gauge-invariant form. We made an effort to separate ultraviolet (UV) and infrared (IR) sources of the ln(−z2)-dependence at short distances z2. The UV terms cancel in the reduced Ioffe-time distribution (ITD), …
Klf Analysis Report: Meson Spectroscopy Simulation Studies,
2020
Old Dominion University
Klf Analysis Report: Meson Spectroscopy Simulation Studies, Shankar Adhikari, Moskov Amaryan
Physics Faculty Publications
This analysis report is written as a supplemental for the strange meson spectroscopy part of the KLF proposal submitted to the JLab PAC48.
Developing A High Resolution Zdc For The Eic,
2020
Old Dominion University
Developing A High Resolution Zdc For The Eic, J. H. Lee, T. Sako, K. Tanida, M. Murray, Q. Wang, N. Nickel, Y. Yamazaki, Y. Itow, H. Menjo, T. Shibata, C. E. Hyde, V. Baturin, Y. Goto, I. Nakagawa, R. Seidl, K. Kawade, A. Deshpande, B. Schmookler, K. Nakano, T. Chujo, Y. Miyachi
Physics Faculty Publications
The Electron Ion Collider offers the opportunity to make un-paralleled multidimen- sional measurements of the spin structure of the proton and nuclei, as well as a study of the onset of partonic saturation at small Bjorken-x [1]. An important requirement of the physics program is the tagging of spectator neutrons and the identification of forward photons. We propose to design and build a Zero Degree Calorimeter, or ZDC, to measure photons and neutrons with excellent energy & position resolution.
Beam-Target Helicity Asymmetry E In K⁺Σ⁻ Photoproduction On The Neutron,
2020
Old Dominion University
Beam-Target Helicity Asymmetry E In K⁺Σ⁻ Photoproduction On The Neutron, N. Zachariou, K. P. Adhikari, M. Khachatryan, M. Mayer, Y. Prok, Et Al., Clas Collaboration
Physics Faculty Publications
We report a measurement of a beam-target double-polarisation observable (E) for the 𝛾→ n→(p) → K+Σ-(p) reaction. The data were obtained impinging the circularly-polarised energy-tagged photon beam of Hall B at Jefferson Lab on a longitudinally-polarised frozen-spin hydrogen deuteride (HD) nuclear target. The E observable for an effective neutron target was determined for centre-of-mass energies 1.70 ≤ W ≤ 2.30 GeV, with reaction products detected over a wide angular acceptance by the CLAS spectrometer. These new double-polarisation data give unique constraints on the strange decays of excited neutron states. Inclusion of the new …
