| 1 | xsun | 3347 | \documentclass[nosummary]{ndthesis} | 
| 2 |  |  |  | 
| 3 | xsun | 3336 | \usepackage[tbtags]{amsmath} | 
| 4 | xsun | 3347 | \usepackage{amsmath,bm} | 
| 5 | xsun | 3336 | \usepackage{amssymb} | 
| 6 |  |  | \usepackage{mathrsfs} | 
| 7 |  |  | \usepackage{tabularx} | 
| 8 | xsun | 3347 | \usepackage{graphicx} | 
| 9 |  |  | \usepackage{booktabs} | 
| 10 | xsun | 3336 | \usepackage{enumitem} | 
| 11 |  |  | \usepackage{color} | 
| 12 |  |  | \usepackage{listings} | 
| 13 |  |  | \usepackage{cite} | 
| 14 |  |  | %\usepackage from oopseDoc.tex | 
| 15 |  |  | \usepackage{times} | 
| 16 |  |  | \usepackage{setspace} | 
| 17 | xsun | 3347 | %\usepackage{longtable} | 
| 18 |  |  | %\lstset{language=C++,frame=TB,basicstyle=\small\ttfamily, % | 
| 19 |  |  | %        xleftmargin=0in, xrightmargin=0in, %captionpos=b,% breaklines=true, % | 
| 20 |  |  | %        abovecaptionskip=0.5cm, belowcaptionskip=0.5cm} | 
| 21 | xsun | 3360 | %\renewcommand{\lstlistingname}{Scheme} | 
| 22 | xsun | 3336 | \includeonly{preview} | 
| 23 |  |  |  | 
| 24 |  |  | \begin{document} | 
| 25 |  |  |  | 
| 26 | xsun | 3370 | %\newcolumntype{A}{p{1.5in}} | 
| 27 |  |  | %\newcolumntype{B}{p{0.75in}} | 
| 28 |  |  | %\newcolumntype{C}{p{1.5in}} | 
| 29 |  |  | %\newcolumntype{D}{p{2in}} | 
| 30 | xsun | 3336 |  | 
| 31 | xsun | 3370 | %\newcolumntype{E}{p{0.5in}} | 
| 32 |  |  | %\newcolumntype{F}{p{1.5in}} | 
| 33 |  |  | %\newcolumntype{G}{p{3.25in}} | 
| 34 | xsun | 3336 |  | 
| 35 | xsun | 3370 | %\newcolumntype{H}{p{0.75in}} | 
| 36 |  |  | %\newcolumntype{I}{p{5in}} | 
| 37 | xsun | 3336 |  | 
| 38 | xsun | 3360 | %\renewcommand{\lstlistlistingname}{SCHEMES} | 
| 39 |  |  | %\renewcommand{\lstlistingname}{Scheme} | 
| 40 | xsun | 3336 | \frontmatter | 
| 41 |  |  |  | 
| 42 |  |  | \work{Dissertation}  % Change to ``Thesis'' for Master's thesis | 
| 43 | xsun | 3360 | \title{ALGORITHMS FOR MODELING THE DYNAMICS AND PHASE TRANSITIONS OF LIPID BILAYERS} | 
| 44 | xsun | 3336 | \author{Xiuquan Sun} | 
| 45 |  |  | \degprior{B.S., M.S.}                 % All previously earned degrees | 
| 46 |  |  | \degaward{Doctor of Philosophy}  % What this paper is for | 
| 47 |  |  | \advisor{J. Daniel Gezelter} % supervisor/director/advisor | 
| 48 |  |  | %% \advisorB{}            % second supervisor/director/advisor (if present) | 
| 49 |  |  | \department{Chemistry and Biochemistry}      % Dept. granting the degree | 
| 50 |  |  |  | 
| 51 |  |  | \maketitle                % Uncomment to get the title page printed out | 
| 52 |  |  | %% \copypage              % Uncomment if you want a copyright page | 
| 53 |  |  | \begin{abstract} | 
| 54 |  |  |  | 
| 55 | xsun | 3361 | I present a dissertation concerning the structural properties and | 
| 56 | xsun | 3376 | phase behavior of lipid bilayers. At first, I investigated the system | 
| 57 |  |  | by using Monte Carlo simulations on a simple dipolar membrane | 
| 58 |  |  | model. Secondly, to obtain the dynamical properties of the ripple | 
| 59 |  |  | phase of lipid membranes, molecular dynamics simulations were | 
| 60 |  |  | performed on a more realistic molecular-scale lipid model. Finally, an | 
| 61 |  |  | algorithm of Langevin dynamics was developed to investigate the ripple | 
| 62 |  |  | phase in an implicit solvent environment. | 
| 63 | xsun | 3361 |  | 
| 64 | xsun | 3336 | \end{abstract} | 
| 65 |  |  |  | 
| 66 |  |  | \begin{dedication} | 
| 67 |  |  |  | 
| 68 | xsun | 3376 | To my wife, for her unconditional support, and to my family, for | 
| 69 |  |  | providing inspiration and happiness. | 
| 70 | xsun | 3336 |  | 
| 71 |  |  | \end{dedication} | 
| 72 |  |  |  | 
| 73 |  |  | \tableofcontents | 
| 74 |  |  | \listoffigures          % If you don't have any figures or tables, comment | 
| 75 |  |  | \listoftables        % out these two lines. | 
| 76 | xsun | 3360 | %\lstlistoflistings | 
| 77 | xsun | 3336 |  | 
| 78 |  |  | \begin{acknowledge}    % acknowledgments go here | 
| 79 |  |  |  | 
| 80 | xsun | 3360 | I would like to thank my advisor, J.~Daniel Gezelter, who guided me | 
| 81 |  |  | into the field of my interests, helped me complete all of the work | 
| 82 |  |  | with his great patience and broad knowledge. I am also grateful to my | 
| 83 |  |  | colleagues Teng Lin, Charles F.~Vardeman II, Shenyu Kuang, Chunlei Li, | 
| 84 |  |  | Christie Puglis, Patrick Holvey, Matthew A.~Meineke, Christopher | 
| 85 |  |  | J.~Fennell, Yang Zheng, Kyle Daily, Kyle S.~Haygarth, Jennifer Morton, | 
| 86 | xsun | 3376 | who were always here for technical support and helpful suggestions. I | 
| 87 |  |  | would also like to thank the members in my advisory commitee, Dennis | 
| 88 |  |  | C.~Jacobs, Gregory V.~Hartland, and S.~Alex Kandel for their | 
| 89 |  |  | disscusion and review of my dissertation. I would also like to thank | 
| 90 |  |  | Dr.~Steven Corcelli for the useful comments. Finally, I would like to | 
| 91 |  |  | thank my family: my father, Jianguo Sun, and my mother, Yumei Lin, for | 
| 92 |  |  | their understanding and support on the distant side of the world. And | 
| 93 |  |  | my wife, Yingxin, this dissertation could not have been finished | 
| 94 |  |  | without her love. | 
| 95 | xsun | 3336 |  | 
| 96 |  |  | \end{acknowledge} | 
| 97 |  |  |  | 
| 98 |  |  | \mainmatter | 
| 99 |  |  |  | 
| 100 |  |  | %\include{Introduction} | 
| 101 |  |  | %\include{mc} | 
| 102 |  |  | %\include{md} | 
| 103 |  |  | %\include{ld} | 
| 104 |  |  | %\include{Conclusion} | 
| 105 |  |  | %\include{Appendix} | 
| 106 |  |  | %\include{phdBib} | 
| 107 |  |  |  |