پديد آورنده :
سبزه زاري، مژگان
عنوان :
مطالعه نظري سامانه هاي متشكل از نوسانگر هماهنگ در مكانيك آماري تساليس و كاربرد آن در بررسي رفتار غير مقداري نانو خوشه ها و شبيه سازي ديناميك مولكولي نانو خوشه آدامنتين
گرايش تحصيلي :
شيمي فيزيك
محل تحصيل :
اصفهان: دانشگاه صنعتي اصفهان، دانشكده شيمي
صفحه شمار :
هفده،216ص.: مصور،نمودار
يادداشت :
ص.ع.به فارسي و انگليسي
استاد راهنما :
عزت كشاورزي، حسين اسلامي
استاد مشاور :
محمد كمالوند
توصيفگر ها :
تابع تقسيم , نانو خوشه هاي لنارد-جونز , نانو خوشه هاي فلزي , همبستگي هاي آماري , همبستگي هاي ميكروسكوپي
تاريخ نمايه سازي :
26/1/91
استاد داور :
غلامعباس پارسافر،ناهيد فرضي، بيژن نجفي، يوسف غائب
كد ايرانداك :
ID423 دكتري
چكيده فارسي :
به فارسي و انگليسي: قابل رويت در نسخه ديجيتالي
چكيده انگليسي :
Theoretical Study about Systems which Composed of HarmonicOscilators in the Framework of Tsallis Statistical mechanics and Applaying it in order to survey of the Non Extensive Behavior of nanoclusters And Molecular Dynamic Simulation for Adamantane nanoclusters Mozhgan Sabzehzari1 m sabzehzari@ch iut ac ir October 2011 Department of Chemistry Isfahan University of Technology 84156 83111 Isfahan Iran Supervisor Ezat Keshavarzi Keshavarz@cc iut ac ir Supervisor Hossein Eslami h eslami@theo cheie tu darmstadt de Advisor Mohammad Kamalvand Kamalvand@gmail com Department Graduate Program Coordinator Bijan Najafi Department of Chemistry Isfahan University of Technology 84156 83111 Isfahan Iran Department of Chemistry college of science Persian Gulf University 75168 Boushehr Iran Faculty of science Department of Chemistry Yazd University 89195 741 Yazd Iran Abstract In this thesis the quantum vibrational partition function has been obtained in the Tsallis statisticsframework for the entropic index q between 1 and 2 The effect of non extensivity on the population of statesand thermodynamic properties have been studied and compared with their corresponding values obtained in theBoltzmann Gibbs BG statistics Also the number of accessible states increases with q but compared to theBG statistics the occupation number decreases for low energy levels while the population of the higher energylevels increases The internal energy and heat capacity have also been obtained for the non extensive harmonicoscillator system In the other part of this thesis we have compared the effects of two different correlations statistic and microscopic correlations on the nonextensivity problem of internal energy A composed system ofN coupled and identical harmonic oscillators in Tsallis statistical framework has been considered as an examplefor a system with statistic correlation In fact in this case nonextensivity in internal energy originates fromdefinition of the entropy by entropic index q In this article we have shown that in some cases it is possible topresent the microscopic correlations by statistic correlations via definition of q 1 Key Words Nonextesive systems Nanoclusters Tsallis Statitcal Mechanics InternalEnergy Harmonic Oscillator
استاد راهنما :
عزت كشاورزي، حسين اسلامي
استاد مشاور :
محمد كمالوند
استاد داور :
غلامعباس پارسافر،ناهيد فرضي، بيژن نجفي، يوسف غائب
