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1. computer simulation of liquid ²»ÓýéÉÜÁ˰É^_^ ------------------------------------------------------------------------------------------------------ ÎļþÃû:M.P.Allen---computer simulation of liquid.pdf ¸½´ø³ÌÐò£ºcomputer simulation of liquid.zip --------------------------------------------------------------------------------------------------------- ÒòΪÓÐÍøÓÑ·´Ó¦°®´æ ÍøÅÌ£¨isload.com.cn£©ËÙ¶ÈÒѾ²»ÁîÈËÂúÒâÁË£¬±¾ÈËÉÏ´«Ê±Ò²·¢ÏÖȷʵÈç´Ë£¬Òò´Ë3ÔÂ9ºÅ¿ªÊ¼µÄÊé¼®»áÉÏ´«µ½ÐÂÉêÇëµÄ¿Õ¼äÀ¼´http://www.fs2you.com/zh-cn/£©£¬Ö®Ç°µÄ14±¾Ò²»áÖØÐÂÉÏ´«£¨°®´æÀïÒѾÉÏ´«µÄ²»»áɾ³ý£©£¬²¢ÇÒÖ±½Ó¸ø³öÏÂÔØµØÖ·£¬Õâ¸öÍøÅÌÀïµÄÎļþÕË»§½¡¿µÖ¸±ê:µ½100¾Í»á×Ô¶¯É¾³ý£¬Çë´ó¼ÒÓ»Ô¾ÏÂÔØ£¬±£³Ö»îÔ¾¶È¡£ÍòÒ»Á´½ÓʧЧÇ뼰ʱPMÎÒÒÔ±ãÖØÐÂÉÏ´«¸üÐÂÁ´½Ó¡£ÁíÍâ4ÔÂ15ºÅͳ¼Æ£¬±¾ÌûÒѾÓг¬¹ý2800´ÎµÄ·ÃÎÊÁ¿ÁË£¬Í¬Ê±ÎļþÕË»§½¡¿µÖ¸±êµ½200ÁË Ï£Íû´ó¼ÒÓ»Ô¾ÏÂÔØ°¡²»È»¾Í×Ô¶¯É¾³ýÁË£»¶ø±¾ÌûµÄ»ØÌûÖ»ÓÐÁÈÁÈÊ®¼¸£¬Ï£Íû´ó¼Ò¸÷È¡ËùÐèµÄͬʱҲ¶¥Ò»´Î£¬ºÇºÇ£¬Ôö¼ÓÐÅÐÄ£¡ -------------------------------------------------------------------------------------------------------- ¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª computer simulation of liquid.zip ÐÂÁ´½Ó£ºhttp://www.fs2you.com/files/69a170a6-eddf-11dc-93a7-0014221b798a/ M.P.Allen---computer simulation of liquid.pdf ÐÂÁ´½Ó£º http://www.fs2you.com/files/ab527619-ede1-11dc-a33a-0014221f3995/ ¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª Ïë²»µ½fs2youÒ²¹ÒµÄÕâô¿ì ·æÃ¢Ì«Â¶°¡ ÓÐʱ¼äÎÒ»áÖØÐÂÉÏ´« ´ó¼ÒÍÆ¼öһϿìËÙÎȶ¨µÄÍøÅÌ [ Last edited by lei0736 on 2008-9-5 at 10:05 ] |
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2. The Art of Molecular Dynamics Simulation ÎļþÃû:D C Rapaport---The Art of Molecular Dynamics Simulation.pdf ÐÂÁ´½Ó£ºhttp://www.fs2you.com/zh-cn/file ... -80a5-0014221f4662/ ¡¾×÷Õß¡¿Dennis C Rapaport ¡¾³ö°æÕß¡¿Cambridge University Press ¡¾³ö°æÈÕÆÚ¡¿1995 ¡¾¼Û¸ñ¡¿¡ê29.95 ¡¾ISBN¡¿0521599423 ¡¾Ö÷ÒªÄÚÈÝ¡¿ This book describes the extremely powerful technique of molecular dynamics simulation, which involves solving the classical many-body problem in contexts relevant to the study of matter at the atomic level. The method allows the prediction of the static and dynamic properties of substances directly from the underlying interactions between the molecules. Because there is no alternative approach capable of handling such a broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This volume will be of value to advanced students and researchers in physics, chemistry, polymer science and materials science in universities and industrial laboratories. Contents Preface 1 Introduction 2 Basic MD approach soft-disk fluid, methodology, programming, equilibration, sample results. 3 Simulating simple systems equations of motion, potential functions, interaction computations, integration methods, initial state, efficiency, trajectory sensitivity. 4 Equilibrium properties of simple fluids thermodynamics, structure, Voronoi polyhedra, clusters. 5 Dynamical properties of simple fluids transport coefficients, space-time correlation functions. 6 Alternative ensembles feedback and constraint methods for constant temperature and pressure. 7 Nonequilibrium dynamics homogeneous and inhomogeneous systems, sheared flow, heat transport. 8 Rigid molecules dynamics, molecular construction, water, properties, hydrogen bonds. 9 Flexible molecules polymer chains, properties. 10 Geometrically constrained molecules solving the constraint problem, internal forces, alkane chains, properties. 11 Other interactions long-range forces, three-body potentials, dipole fluid, liquid silicon. 12 Step potentials computational scheme, events, results, generalizations. 13 Time-dependent phenomena open systems, thermal convection, obstructed flow. 14 Algorithms for supercomputers MD algorithms for distributed- and vector-processing computers. 15 The future Appendices data management, organizing extensive computations, utility functions, list of variables. Bibliography Indices function index, subject index. [ Last edited by lei0736 on 2008-3-9 at 22:12 ] |
2Â¥2008-03-05 21:23:36
lei0736
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3. Introduction to Modeling and Simulation½²Òå ÎļþÃû£º MIT spring2006---Introduction to Modeling and Simulation.pdf ÓÐÐֵܷ¢µÄÀàËÆµÄ ¼ûÒÔÏÂÌû×Ó£º http://www.muchong.com/bbs/viewthread.php?tid=725838&pid=6295878&page=1#pid6295878 ÎÒÕâ¸öÊÇ2006ÄêµÄ Ã²ËÆ×îÐÂ×îÈ«µÄ°É Ö÷½²ÓÐProf. S. YipµÈÅ£ÈË ÐÂÁ´½Ó£ºhttp://www.fs2you.com/files/56bc149c-ede3-11dc-ac3c-0014221b798a/ [ Last edited by lei0736 on 2008-3-9 at 22:16 ] |
3Â¥2008-03-05 21:29:32
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4. Understanding Molecular Simulation From Algorithms to Applications ÎļþÃû£º D.Frenkel---Understanding Molecular Simulation From Algorithms to Applications.rar °üº¬ÖÐÎÄÁ½±¾£¬¼°ÅäÌ×Á·Ï°£¬³ÌÐò ISBN: 0122673700 Title: Understanding Molecular Simulation: From Algorithms to Applications 1996-08 Author: Daan Frenkel, Berend Smit Publisher: Academic Press Publication Date: 1996-08 Number Of Pages: 443 Average Amazon Rating: 4.5 Summary: Computer simulation techniques have become almost essential in the study of the macro-molecular phenomena and phase behavior on the molecular level. As these techniques become increasingly important, it is necessaryto realize that they are useful tools, but are not the goals of research. With this important distinction in mind, Understanding Molecular Simulation describes simulation techniques along with the physics behind the phenomena that these techniques simulate. Each chapter is comprised of three components: the general theoretical basis, an outline of the necessary computer code, and a few applications which illustrate the use of the technique demonstrated. The chapters also include examples of the typical practical problems that could be solved using each technique. Key Features * Gives a unified presentation of computational tools used to study molecular systems in the equilibrium state * Describes simulation techniques and physics behind the phenomena simulated * Emphasizes important topics of phase behavior and computer simulation of macro-molecular (polymer-type) substances * Includes references to the authors home page where additional information from the authors can be found Óгæ×Ó·¢¹ý http://muchong.com/html/200608/297413.html £¬ºÇºÇ£¬ÎªÁË·½±ã´ó¼ÒÎÒ¼¯ÖÐÔÙ·¢Ò»±é ÖÐÎİ棺 http://www.fs2you.com/files/b6416c40-ede4-11dc-9086-0014221b798a/ Ó¢Îİ棺 http://www.fs2you.com/files/8677f10a-ede4-11dc-8636-0014221f3995/ ¸½´ø³ÌÐòºÍÁ·Ï°£º http://www.fs2you.com/files/77651678-ede4-11dc-aa17-00142218fc6e/ http://www.fs2you.com/files/e2f7989c-ede4-11dc-92b9-0014221f4662/ [ Last edited by lei0736 on 2008-3-9 at 22:28 ] |
4Â¥2008-03-05 21:41:41













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