Molecular dynamics calculation of rotational diffusion coefficient of a carbon nanotube in fluid

2014 ◽  
Vol 140 (3) ◽  
pp. 034703 ◽  
Author(s):  
Bing-Yang Cao ◽  
Ruo-Yu Dong
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Coefficient ◽  
Carbon Nanotube ◽  
Rotational Diffusion ◽  
Dynamics Calculation ◽  
Rotational Diffusion Coefficient

Study on Nanoparticle Sizing Using Fluorescent Polarization Method with DNA Fluorescent Probe

2015 ◽  
Vol 9 (5) ◽  
pp. 534-540 ◽  
Author(s):  
Terutake Hayashi ◽  
◽  
Yuki Ishizaki ◽  
Masaki Michihata ◽  
Yasuhiro Takaya ◽  
...  
Keyword(s):  
Diffusion Coefficient ◽  
Fluorescent Probe ◽  
Diffusion Coefficients ◽  
Hard Spheres ◽  
Rotational Diffusion ◽  
Polarization Method ◽  
Novel Method ◽  
Rotational Diffusion Coefficients ◽  
20 Nm ◽  
Rotational Diffusion Coefficient

Fluorescent polarization methods are used to detect complementary base pairing of DNA in biological fields. These methods work by measuring the rotational diffusion coefficient of Brownian motion of the fluorescent particles in solution. The rotational diffusion coefficient corresponds to the inverse third power of diameter according to the Debye-Stokes-Einstein equation for nanoparticles as hard spheres. We develop a novel method to measure the rotational diffusion coefficient using a fluorescent probe with a DNA spacer connected to a gold nanoparticle. We studied the physical characteristics of this probe to verify the feasibility of the proposed method. The rotational diffusion coefficients of gold nanoparticles with diameters ranging between 5–20 nm were measured using this developed system. In this manuscript we describe a novel fluorescent polarization method for nanoparticle sizing using a fluorescent DNA probe.

MOLECULAR-DYNAMICS STUDIES OF BIATOMIC SUPERCOOLED LIQUIDS: INTERMITTENCY, STICK-SLIP TRANSITION AND THE BREAKDOWN OF THE STOKES-EINSTEIN LAWS

Fractals ◽  
2003 ◽  
Vol 11 (supp01) ◽  
pp. 139-147 ◽  
Author(s):  
CHRISTIANO DE MICHELE ◽  
DINO LEPORINI
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Coefficient ◽  
Rotational Diffusion ◽  
Power Laws ◽  
Supercooled Liquid ◽  
Rotational Correlation Time ◽  
Einstein Relation ◽  
Stick Slip ◽  
Molecular Dynamics Methods ◽  
Slip Transition

The transport and the relaxation properties of a biatomic supercooled liquid are studied by molecular-dynamics methods. Both translational and rotational jumps are evidenced. At lower temperatures their waiting-time distributions decay as a power law at short times. The Stokes-Einstein relation (SE) breaks down at a temperature which is close to the onset of the intermittency. A precursor effect of the SE breakdown is observed as an apparent stick-slip transition. The breakdown of Debye-Stokes-Einstein law for rotational motion is also observed. On cooling, the changes of the rotational correlation time τ1 and the translational diffusion coefficient at low temperatures are fitted by power laws over more than three and four orders of magnitude, respectively. A less impressive agreement is found for τl with l = 2 - 4 and the rotational diffusion coefficient.

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