نتایج جستجو

33453

نتیجه یافت شد

مرتبط ترین ها

اعمال فیلتر

به روزترین ها

اعمال فیلتر

پربازدید ترین ها

اعمال فیلتر

پر دانلودترین‌ها

اعمال فیلتر

پر استنادترین‌ها

اعمال فیلتر

تعداد صفحات

3346

انتقال به صفحه



فیلترها/جستجو در نتایج    

فیلترها

سال

بانک‌ها



گروه تخصصی











متن کامل


مرکز اطلاعات علمی SID1
مرکز اطلاعات علمی SID
اسکوپوس
مرکز اطلاعات علمی SID
ریسرچگیت
strs
نویسنده: 

YAHYAVI M. | ESLAMI H.

اطلاعات دوره: 
  • سال: 

    2013
  • دوره: 

    0
  • شماره: 

    16
تعامل: 
  • بازدید: 

    735
  • دانلود: 

    0
چکیده: 

A TWO-BODY POTENTIAL ENERGY FUNCTION FOR MERCURY IS DETERMINED BY MATCHING THE RADIAL DISTRIBUTION FUNCTION, OBTAINED FROM simulation, WITH THAT OF EXPERIMENT. THE PAIR POTENTIAL IS USED TO SIMULATE LIQUID AND VAPOR MERCURY OVER A WIDE RANGE OF TEMPERATURES AND PRESSURES. THE AGREEMENT OF CALCULATED PROPERTIES WITH EXPERIMENT IS GOOD.

آمار یکساله:  

بازدید 735

دانلود 0
نویسنده: 

BEHROUZ M. | ESLAMI H.

اطلاعات دوره: 
  • سال: 

    2013
  • دوره: 

    0
  • شماره: 

    16
تعامل: 
  • بازدید: 

    1575
  • دانلود: 

    0
کلیدواژه: 
چکیده: 

molecular dynamics simulationS ARE PERFORMED ON POLYAMIDE-6, 6+CARBON NANOTUBE COMPOSITES. TO EXAMINE THE EFFECT OF SURFACE CURVATURE ON THE NANOCOMPOSITE PROPERTIES, POLYMER-NANOTUBES SYSTEMS, CONTAINING NANOTUBES OF DIFFERENT DIAMETERS (CURVATURES) ARE SIMULATED. A SNAPSHOT OF THE simulation BOX IS SHOWN IN FIGURE 1.THE simulation RESULTS ARE ANALYZED TO DETERMINE ALTERNATION IN THE STRUCTURAL AND DYNAMICAL PROPERTIES OF POLYMER AT THE INTERFACE. THE RESULTS OF OUR simulationS ARE INDICATIVE OF FORMATION OF LAYERED POLYMER STRUCTURES BESIDE THE NANOTUBE SURFACE.POLYMER CHAINS BESIDE THE SURFACE ARE SHOWN TO ADOPT FLAT CONFORMATIONS. THE HYDROGEN BONDING IN POLYMER IS STUDIED IN DETAIL AND IT IS SHOWN THAT THE CHAINS BESIDE THE SURFACE ARE NOT CAPABLE OF HYDROGEN BOND FORMATION, BECAUSE OF THE GEOMETRICAL RESTRICTIONS. IN ALL CASES AN INTERPHASE THICKNESS AROUND 2.0 NM IS OBSERVED.AN EXAMINATION OF THE POLYMER dynamics AT THE INTERFACE INDICATES THAT DYNAMIC DECELERATION DEPEND ON THE PARTICULAR DYNAMICAL QUANTITY OF INTEREST. FOR EXAMPLE, IN THE CASE OF A SHORT-TIME DYNAMICAL QUANTITY, LIKE HYDROGEN BOND FORMATION/RUPTURE, THE RELAXATION TIME IN CLOSE VICINITY OF THE SURFACE, VARIES A FEW PER CENT (COMPARED TO THE BULK SAMPLE). ON THE OTHER HAND, A SHORT-TIME DYNAMICAL PROPERTY, LIKE THE AUTOCORRELATION OF CHAIN END-TO-END VECTOR, RELAXES SEVERAL ORDERS OF MAGNITUDE SLOWER THAN THE CORRESPONDING BULK QUANTITY.

آمار یکساله:  

بازدید 1575

دانلود 0
نویسنده: 

MEHDIPOUR NARGESS | BAHRI KHEIRI

اطلاعات دوره: 
  • سال: 

    2013
  • دوره: 

    0
  • شماره: 

    16
تعامل: 
  • بازدید: 

    1155
  • دانلود: 

    0
کلیدواژه: 
چکیده: 

INTRODUCTION: IN ATOMISTIC simulationS THE TIME SCALES AND THE LENGTH SCALES ARE LIMITED TO NANOSECONDS AND NANOMETERS, RESPECTIVELY. THEREFORE, ONE HAS TO PAY A HUGE COMPUTATIONAL COST IN THE CASE OF LARGE SYSTEMS; FOR EXAMPLE, IN THE CASE OF simulation OF BIOLOGICAL SYSTEMS, IN WHICH THE WATER MOLECULES PLAY A CENTRAL ROLE BUT THE BEHAVIOR OF WATER ITSELF IS NOT OF PRIMARY INTEREST. A POSSIBLE SOLUTION TO THIS PROBLEM IS THE DEVELOPMENT OF A FASTER METHOD, IN WHICH THE NUMBER OF DEGREES OF FREEDOM IS REDUCED TO SPEED UP THE COMPUTATIONS. COARSE GRAINING IS A METHOD, DESIGNED TO REDUCE THE COMPUTATIONAL COST AT THE EXPENSE OF LOSING THE INFORMATION HIDDEN IN THE FASTER DEGREES OF FREEDOM, WHICH ARE COARSENED. IN THIS METHOD, A GROUP OF ATOMS FORM A SUPER-ATOM (BEAD), AND THUS DECREASE THE COMPUTATIONAL COST.

آمار یکساله:  

بازدید 1155

دانلود 0
گارگاه ها آموزشی
نویسنده: 

MOZAFFARI F.

اطلاعات دوره: 
  • سال: 

    2014
  • دوره: 

    0
  • شماره: 

    17
تعامل: 
  • بازدید: 

    1470
  • دانلود: 

    0
کلیدواژه: 
چکیده: 

IN THIS WORK, THE EFFECT OF THE ATTRACTIVE PART OF THE POTENTIAL BETWEEN FLUID AND WALL ON THE PROPERTIES OF WATER CONFINED BETWEEN GRAPHITE SHEETS WAS STUDIED, WE PERFORM molecular dynamics (MD) simulationS OF WATER WITH DIFFERENT FORMS OF POTENTIAL BETWEEN FLUID-WALL, WE STUDY THE 12-6 LJ POTENTIAL AND THE 4E (S/R)12 REPULSIVE PART OF THE LJ POTENTIAL WITH DIFFERENT VALUES OF E FOR INTERACTION BETWEEN OXYGEN AND CARBON...

آمار یکساله:  

بازدید 1470

دانلود 0
اطلاعات دوره: 
  • سال: 

    2016
  • دوره: 

    0
  • شماره: 

    19
تعامل: 
  • بازدید: 

    1365
  • دانلود: 

    0
کلیدواژه: 
چکیده: 

ONE OF THE MOST IMPORTANT TYPES OF ANTIOXIDANTS ARE FLAVONOIDS WHICH CONTAIN FLAVONOLS, FLAVONONES, ISOFLAVONES, ETC. BECAUSE OF THE IMPORTANCE OF QUERCETIN AS AN ANTIOXIDANT, THE PRESENT STUDY PAYS SPECIAL ATTENTION TO THIS COMPOUND OF FLAVONOLS. THE MAIN FOCUS OF THIS INVESTIGATION IS TO EXPLORE STRUCTURAL PROPERTIES OF QUERCETIN BY molecular dynamics simulation. THE RESULTS SHOW THAT INTERmolecular HYDROGEN BONDS BETWEEN QUERCETIN AND WATER ARE STRONGER THAN WATER-WATER INTERACTIONS. IN ADDITION, INTRAmolecular HYDROGEN BOND IN QUERCETIN IS OBSERVED. ...

آمار یکساله:  

بازدید 1365

دانلود 0
اطلاعات دوره: 
  • سال: 

    1380
  • دوره: 

    2
  • شماره: 

    5
  • صفحات: 

    277-290
تعامل: 
  • استنادات: 

    0
  • بازدید: 

    803
  • دانلود: 

    192
چکیده: 

در این مقاله سیستمهای دوبعدی از دیدگاه نظری، تجربی و شبیه سازی کامپیوتری مورد بررسی قرار گرفته و سپس مراحل انجام شبیه سازی دینامیک مولکولی تشریح شده است. ذوب یک بلور نمک یونی دوبعدی را توضیح داده و نتایج شبیه سازی سیستمهایی با 16، 64 و 256 ذره ارایه می گردد. نتایج نشان می دهد که گذار ذوب مورد شبیه سازی از نوع مرتبه اول است. سیستم مورد شبیه سازی را پس از ذوب گرم کرده و سپس مایع گرم را سرد کرده تا منجمد شود، که در این دما سیستم به ساختار بلوری بر میگردد.

آمار یکساله:  

بازدید 803

دانلود 192 استناد 0 مرجع 0
strs
نویسندگان: 

KUCABA PIETAL A. | WALENTA Z. | PERADZYNSKI Z.

اطلاعات دوره: 
  • سال: 

    2009
  • دوره: 

    57
  • شماره: 

    1
  • صفحات: 

    55-61
تعامل: 
  • استنادات: 

    315
  • بازدید: 

    4593
  • دانلود: 

    9195
کلیدواژه: 
چکیده: 

آمار یکساله:  

بازدید 4593

دانلود 9195 استناد 315 مرجع 0
نویسندگان: 

MAGHARI A. | SEYED MATIN N.

نشریه: 

SCIENTIA IRANICA

اطلاعات دوره: 
  • سال: 

    2002
  • دوره: 

    9
  • شماره: 

    2
  • صفحات: 

    148-152
تعامل: 
  • استنادات: 

    0
  • بازدید: 

    17860
  • دانلود: 

    18154
کلیدواژه: 
چکیده: 

In this paper, a Non-Equilibrium molecular dynamics (NEMO) method is used to calculate the thermal diffusion factor, aT, for a binary mixture interacting via the Lennard-Jones potential. The aT is obtained for Ar-Kr and Ar-Xe mixtures from the temperature and concentration gradients in the simulation box containing 108 particles. The reduced temperature range for this simulation is 1.0£ T*£3.0.

آمار یکساله:  

بازدید 17860

دانلود 18154 استناد 0 مرجع 0
نویسندگان: 

MEHDIPOUR NARGESS | MOUSAVIAN NEDA | ESLAMI HOSSEIN

اطلاعات دوره: 
  • سال: 

    2014
  • دوره: 

    11
  • شماره: 

    1
  • صفحات: 

    47-52
تعامل: 
  • استنادات: 

    0
  • بازدید: 

    18314
  • دانلود: 

    9450
چکیده: 

A new molecular dynamics simulation technique for simulating fluids in confinement [H. Eslami, F. Mozaffari, J. Moghadasi, F. Müller-Plathe, J. Chem. Phys. 129 (2008) 194702] is employed to simulate the diffusion coefficient of nanoconfined Lennard-Jones fluid. The diffusing fluid is liquid Ar and the confining surfaces are solid Ar fcc (100) surfaces, which are kept frozen during the simulation. In this simulation just the fluid in confinement is simulated at a constant temperature and a constant parallel component of pressure, which is assumed to be equal to the bulk pressure. It is shown that the calculated parallel (to the surfaces) component of the diffusion coefficients depends on the distance between the surfaces (pore size) and shows oscillatory behavior with respect to the intersurface separations. Our results show that on formation of well-organized layers between the surfaces, the parallel diffusion coefficients decrease considerably with respect to the bulk fluid. The effect of pressure on the parallel diffusion coefficients has also been studied. Better organized layers, and hence, lower diffusion coefficients are observed with increasing the pressure.

آمار یکساله:  

بازدید 18314

دانلود 9450 استناد 0 مرجع 0
نویسنده: 

MORADI AREZOO | AKBARZADEH HAMED

اطلاعات دوره: 
  • سال: 

    2016
  • دوره: 

    0
  • شماره: 

    19
تعامل: 
  • بازدید: 

    1890
  • دانلود: 

    0
کلیدواژه: 
چکیده: 

IN THIS PAPER, WE HAVE INVESTIGATED ADSORPTION OF CH4/N2 MIXTURE IN CARBON, SILICON CARBIDE AND BORON NITRIDE BUNDLE NANOTUBES VIA MD simulation. THIS RESEARCH IS OF CRITICAL IMPORTANCE IN NATURAL GAS RECOVERY AND REFINEMENT. WE HAVE ALSO STUDIED THE EFFECTS OF THE SIZE AND CHIRALITY OF THE BUNDLE NANOTUBES AND THE TEMPERATURE AND PRESSURE EFFECTS ON THE RESULTS. ...

آمار یکساله:  

بازدید 1890

دانلود 0
litScript