By using extensive MD simulations the free-energy landscape of the crystallization process of a single polyethylene chain with N = 500 monomers is determined and the roles of both the potential energy and the entropy in shaping its gross features are discussed
A united-atom model of polyethylene (PE) has been studied by molecular-dynamics simulations to inves...
We have investigated the molecular mechanisms of primordial stages of polymer crystallization from s...
The differences in the structure formations of a single polyethylene (PE) chain in united atom molec...
International audienceBy using extensive MD simulations the free-energy landscape of the crystalliza...
The paper presents extensive MD simulations of the crystallization process of a single polyethylene ...
The crystalline state of a single polyethylene chain with N = 500 monomers is investigated by extens...
The crystalline state of a single polyethylene chain with N = 500 monomers is investigated by extens...
The paper presents numerical results from extensive molecular-dynamics simulations of the crystalliz...
We have studied the structure and free energy landscape of a semiflexible lattice polymer in the pre...
We have studied the structure and free energy landscape of a semiflexible lattice polymer in the pre...
We have studied the structure and free energy landscape of a semiflexible lattice polymer in the pre...
We have studied the structure and free energy landscape of a semiflexible lattice polymer in the pre...
We report a numerical study of the free energy barrier for crystallization and melting of a single ...
We report a numerical study of the free energy barrier for crystallization and melting of a single ...
Using a realistic united-atom force field, molecular dynamics simulations were performed to study ho...
A united-atom model of polyethylene (PE) has been studied by molecular-dynamics simulations to inves...
We have investigated the molecular mechanisms of primordial stages of polymer crystallization from s...
The differences in the structure formations of a single polyethylene (PE) chain in united atom molec...
International audienceBy using extensive MD simulations the free-energy landscape of the crystalliza...
The paper presents extensive MD simulations of the crystallization process of a single polyethylene ...
The crystalline state of a single polyethylene chain with N = 500 monomers is investigated by extens...
The crystalline state of a single polyethylene chain with N = 500 monomers is investigated by extens...
The paper presents numerical results from extensive molecular-dynamics simulations of the crystalliz...
We have studied the structure and free energy landscape of a semiflexible lattice polymer in the pre...
We have studied the structure and free energy landscape of a semiflexible lattice polymer in the pre...
We have studied the structure and free energy landscape of a semiflexible lattice polymer in the pre...
We have studied the structure and free energy landscape of a semiflexible lattice polymer in the pre...
We report a numerical study of the free energy barrier for crystallization and melting of a single ...
We report a numerical study of the free energy barrier for crystallization and melting of a single ...
Using a realistic united-atom force field, molecular dynamics simulations were performed to study ho...
A united-atom model of polyethylene (PE) has been studied by molecular-dynamics simulations to inves...
We have investigated the molecular mechanisms of primordial stages of polymer crystallization from s...
The differences in the structure formations of a single polyethylene (PE) chain in united atom molec...
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