Adsorption of polymers at nanowires

Abstract Low-energy structures of a hybrid system consisting of a polymer and an attractive nanowire substrate as well as the thermodynamics of the adsorption transition are studied by means of Monte Carlo computer simulations. Depending on structural and energetic properties of the substrate, we find different adsorbed polymer conformations, amongst which are spherical droplets attached to the wire and monolayer tubes surrounding it. We identify adsorption temperatures and the type of the transition between adsorbed and desorbed structures depending on the substrate attraction strength.

[1]  K. Binder,et al.  Polymer melt droplets adsorbed on a solid wall: A Monte Carlo simulation , 2001 .

[2]  Long range moves for high density polymer simulations , 1997, cond-mat/9610116.

[3]  M. Bachmann,et al.  Thermodynamics of peptide aggregation processes: an analysis from perspectives of three statistical ensembles. , 2007, The Journal of chemical physics.

[4]  Wolfhard Janke,et al.  Microcanonical analyses of peptide aggregation processes. , 2006, Physical review letters.

[5]  M. Bachmann,et al.  Statistical mechanics of aggregation and crystallization for semiflexible polymers , 2009, 1107.0305.

[6]  Chenggang Zhou,et al.  Understanding and improving the Wang-Landau algorithm. , 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

[7]  Wolfhard Janke,et al.  Systematic microcanonical analyses of polymer adsorption transitions. , 2010, Physical chemistry chemical physics : PCCP.

[8]  K. Binder,et al.  Polymer nanodroplets adsorbed on nanocylinders: A Monte Carlo study , 2002 .

[9]  S. Srebnik,et al.  Monte Carlo simulation of polymer wrapping of nanotubes , 2007 .

[10]  Wolfhard Janke,et al.  Two-state folding, folding through intermediates, and metastability in a minimalistic hydrophobic-polar model for proteins. , 2007, Physical review letters.

[11]  M. Bachmann,et al.  Structural arrangements of polymers adsorbed at nanostrings , 2011, 1103.1870.

[12]  Zhipei Sun,et al.  Nanotube–Polymer Composites for Ultrafast Photonics , 2009 .

[13]  Wolfhard Janke,et al.  Rugged Free Energy Landscapes , 2008 .

[14]  Daniel Reith,et al.  Implementation and performance analysis of bridging Monte Carlo moves for off-lattice single chain polymers in globular states , 2009, Comput. Phys. Commun..

[15]  Wolfhard Janke,et al.  Multicanonical Monte Carlo simulations , 1998 .

[16]  Berg,et al.  Multicanonical ensemble: A new approach to simulate first-order phase transitions. , 1992, Physical review letters.

[17]  U. Hansmann.  Protein folding simulations in a deformed energy landscape , 1999, physics/0001028.

[18]  D. Landau,et al.  Efficient, multiple-range random walk algorithm to calculate the density of states. , 2000, Physical review letters.

[19]  W. Wenzel,et al.  Stochastic Tunneling Approach for Global Minimization of Complex Potential Energy Landscapes , 1999 .

[20]  Ulrich H E Hansmann,et al.  Global optimization by energy landscape paving. , 2002, Physical review letters.

[21]  Kurt Binder,et al.  Phase transitions of a single polymer chain: A Wang-Landau simulation study. , 2009, The Journal of chemical physics.

[22]  M. Bachmann,et al.  Substrate specificity of peptide adsorption: a model study. , 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

[23]  Mei Gao,et al.  Biosensors Based on Aligned Carbon Nanotubes Coated with Inherently Conducting Polymers , 2003 .

[24]  Wolfhard Janke,et al.  Elastic Lennard-Jones polymers meet clusters: differences and similarities. , 2009, The Journal of chemical physics.

[25]  Joan Adler,et al.  Accurate modeling approach for the structural comparison between monolayer polymer tubes and single-walled nanotubes , 2011, 1103.1889.

[26]  B. Berg,et al.  Multicanonical algorithms for first order phase transitions , 1991 .

[27]  Wolfhard Janke,et al.  Microscopic mechanism of specific peptide adhesion to semiconductor substrates. , 2010, Angewandte Chemie.

[28]  Wolfhard Janke,et al.  Conformational mechanics of polymer adsorption transitions at attractive substrates. , 2009, The journal of physical chemistry. B.

[29]  Wolfhard Janke,et al.  Surface effects in the crystallization process of elastic flexible polymers , 2009, 1002.2118.