Matching Items (3)
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- All Subjects: chiral
- Creators: Schmidt, Kevin E
Description
Monte Carlo methods often used in nuclear physics, such as auxiliary field diffusion Monte Carlo and Green's function Monte Carlo, have typically relied on phenomenological local real-space potentials containing as few derivatives as possible, such as the Argonne-Urbana family of interactions, to make sampling simple and efficient. Basis set methods such as no-core shell model or coupled-cluster techniques typically use softer non-local potentials because of their more rapid convergence with basis set size. These non-local potentials are typically defined in momentum space and are often based on effective field theory. Comparisons of the results of the two types of methods are complicated by the use of different potentials. This thesis discusses progress made in using such non-local potentials in quantum Monte Carlo calculations of light nuclei. In particular, it shows methods for evaluating the real-space, imaginary-time propagators needed to perform quantum Monte Carlo calculations using non-local potentials and universality properties of these propagators, how to formulate a good trial wave function for non-local potentials, and how to perform a "one-step" Green's function Monte Carlo calculation for non-local potentials.
ContributorsLynn, Joel E (Author) / Schmidt, Kevin E (Thesis advisor) / Alarcon, Ricardo (Committee member) / Lebed, Richard (Committee member) / Shovkovy, Igor (Committee member) / Shumway, John (Committee member) / Arizona State University (Publisher)
Created2013
Description
The structure of glass has been the subject of many studies, however some
details remained to be resolved. With the advancement of microscopic
imaging techniques and the successful synthesis of two-dimensional materials,
images of two-dimensional glasses (bilayers of silica) are now available,
confirming that this glass structure closely follows the continuous random
network model. These images provide complete in-plane structural information
such as ring correlations, and intermediate range order and with computer
refinement contain indirect information such as angular distributions, and
tilting.
This dissertation reports the first work that integrates the actual atomic
coordinates obtained from such images with structural refinement to enhance
the extracted information from the experimental data.
The correlations in the ring structure of silica bilayers are studied
and it is shown that short-range and intermediate-range order exist in such networks.
Special boundary conditions for finite experimental samples are designed so atoms
in the bulk sense they are part of an infinite network.
It is shown that bilayers consist of two identical layers separated by a
symmetry plane and the tilted tetrahedra, two examples of
added value through the structural refinement.
Finally, the low-temperature properties of glasses in two dimensions
are studied. This dissertation presents a new approach to find possible
two-level systems in silica bilayers employing the tools of rigidity theory
in isostatic systems.
details remained to be resolved. With the advancement of microscopic
imaging techniques and the successful synthesis of two-dimensional materials,
images of two-dimensional glasses (bilayers of silica) are now available,
confirming that this glass structure closely follows the continuous random
network model. These images provide complete in-plane structural information
such as ring correlations, and intermediate range order and with computer
refinement contain indirect information such as angular distributions, and
tilting.
This dissertation reports the first work that integrates the actual atomic
coordinates obtained from such images with structural refinement to enhance
the extracted information from the experimental data.
The correlations in the ring structure of silica bilayers are studied
and it is shown that short-range and intermediate-range order exist in such networks.
Special boundary conditions for finite experimental samples are designed so atoms
in the bulk sense they are part of an infinite network.
It is shown that bilayers consist of two identical layers separated by a
symmetry plane and the tilted tetrahedra, two examples of
added value through the structural refinement.
Finally, the low-temperature properties of glasses in two dimensions
are studied. This dissertation presents a new approach to find possible
two-level systems in silica bilayers employing the tools of rigidity theory
in isostatic systems.
ContributorsSadjadi, Seyed Mahdi (Author) / Thorpe, Michael F (Thesis advisor) / Beckstein, Oliver (Committee member) / Schmidt, Kevin E (Committee member) / Treacy, Michael Mj (Committee member) / Arizona State University (Publisher)
Created2018
Description
I describe the first continuous space nuclear path integral quantum Monte Carlo method, and calculate the ground state properties of light nuclei including Deuteron, Triton, Helium-3 and Helium-4, using both local chiral interaction up to next-to-next-to-leading-order and the Argonne $v_6'$ interaction. Compared with diffusion based quantum Monte Carlo methods such as Green's function Monte Carlo and auxiliary field diffusion Monte Carlo, path integral quantum Monte Carlo has the advantage that it can directly calculate the expectation value of operators without tradeoff, whether they commute with the Hamiltonian or not. For operators that commute with the Hamiltonian, e.g., the Hamiltonian itself, the path integral quantum Monte Carlo light-nuclei results agree with Green's function Monte Carlo and auxiliary field diffusion Monte Carlo results. For other operator expectations which are important to understand nuclear measurements but do not commute with the Hamiltonian and therefore cannot be accurately calculated by diffusion based quantum Monte Carlo methods without tradeoff, the path integral quantum Monte Carlo method gives reliable results. I show root-mean-square radii, one-particle number density distributions, and Euclidean response functions for single-nucleon couplings. I also systematically describe all the sampling algorithms used in this work, the strategies to make the computation efficient, the error estimations, and the details of the implementation of the code to perform calculations. This work can serve as a benchmark test for future calculations of larger nuclei or finite temperature nuclear matter using path integral quantum Monte Carlo.
ContributorsChen, Rong (Author) / Schmidt, Kevin E (Thesis advisor) / Alarcon, Ricardo O (Committee member) / Beckstein, Oliver (Committee member) / Comfort, Joseph R. (Committee member) / Shovkovy, Igor A. (Committee member) / Arizona State University (Publisher)
Created2020