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\begin{document} |
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\frontmatter |
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\work{Dissertation} % Change to ``Thesis'' for Master's thesis |
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\title{Algorithms for modeling the dynamics and phase transitions of lipid bilayers} |
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\title{ALGORITHMS FOR MODELING THE DYNAMICS AND PHASE TRANSITIONS OF LIPID BILAYERS} |
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\author{Xiuquan Sun} |
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\degprior{B.S., M.S.} % All previously earned degrees |
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\degaward{Doctor of Philosophy} % What this paper is for |
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%% \copypage % Uncomment if you want a copyright page |
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\begin{abstract} |
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I present a dissertation concerning the structural properties and |
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phase behavior of lipid bilayers. The $P_{\beta'}$ ripple phase, |
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named for the periodic buckling of the membrane, is an thermotropic |
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phase which develops either from heating the gel phase ($L_{\beta'}$) |
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or cooling the fluid phase ($L_\alpha$). This phase typically exhibits |
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surface buckling with wavelengths of $100-250$ \AA~and amplitudes of |
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$10-50$ \AA. At first, I investigated the system by using Monte Carlo |
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simulations on a simple dipolar membrane model. Secondly, to obtain |
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the dynamical properties of the ripple phase of lipid membranes, |
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molecular dynamics simulations were performed on a more realistic |
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molecular-scale lipid model. Finally, an algorithm of Langevin |
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dynamics was developed to investigate the ripple phase in an implicit |
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solvent environment. |
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\end{abstract} |
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\begin{dedication} |
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To my family. |
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To my wife, for her unconditional support, and to my family, for |
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providing inspiration and happiness. |
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\end{dedication} |
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\tableofcontents |
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\lstlistoflistings |
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\begin{acknowledge} % acknowledgments go here |
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I would like to thank my advisor, Dr. Gezelter for his inspiring and |
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encouraging way to guide me to a deeper understanding of molecular |
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modeling. Without his encouragement and constant guidance, I could not |
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have finished this dissertation. I am also grateful to my colleagues |
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Charles F.~Vardeman II, Christopher J.~Fennell, Teng Lin, Yang Zheng, |
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Kyle Daily, Kyle S.~Haygarth, Matthew A.~Meineke, Dan Combest, Pat |
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Conforti, and Megan Sprague, who were always here for technical help |
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and moral support. Last, but not least, I thank my family: my fater, |
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Jianguo Sun, and my mother, Yumei Lin, for unconditional support and |
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encouragement to pursue my dreams, even when they went beyond |
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boundaries of language and geography. My wife, Yingxin Jiang, for her |
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understanding and love during the past few years. Her support and |
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encouragement was in the end what made this dissertation possible. |
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I would like to thank my advisor, J.~Daniel Gezelter, who guided me |
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into the field of my interests, helped me complete all of the work |
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with his great patience and broad knowledge. I am also grateful to my |
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colleagues Teng Lin, Charles F.~Vardeman II, Shenyu Kuang, Chunlei Li, |
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Christie Puglis, Patrick Holvey, Matthew A.~Meineke, Christopher |
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J.~Fennell, Yang Zheng, Kyle Daily, Kyle S.~Haygarth, Jennifer Morton, |
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who were always here for technical support and helpful suggestions. I |
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would also like to thank the members in my advisory commitee, Gregory |
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V.~Hartland, S.~Alex Kandel, Steven Corcelli, and Dennis C.~Jacobs for |
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their disscusion and review of my dissertation. Finally, I would like |
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to thank my family: my father, Jianguo Sun, and my mother, Yumei Lin, |
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for their understanding and support on the distant side of the |
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world. And my wife, Yingxin, this dissertation could not have been |
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finished without her love. |
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\end{acknowledge} |
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