Nanoglasses: a new kind of noncrystalline materials

• Herbert Gleiter

Beilstein J. Nanotechnol. 2013, 4, 517–533, doi:10.3762/bjnano.4.61

• in the nanoglass is caused by negative spin polarized sp-like itinerant electrons [21][22][23][24]. Molecular dynamics simulation of the consolidation of a nanoglass at 300 K [27]. The nanoglass is obtained by sintering nanometer-sized (5 nm diameter) glassy spheres (of Ge) at a pressure of 5 GPa. (e

Molecular dynamics simulations of mechanical failure in polymorphic arrangements of amyloid fibrils containing structural defects

• Hlengisizwe Ndlovu,
• Alison E. Ashcroft,
• Sheena E. Radford and
• Sarah A. Harris

Beilstein J. Nanotechnol. 2013, 4, 429–440, doi:10.3762/bjnano.4.50

• carbon-α atoms was used to monitor convergence of the MD simulations. This was achieved within 20 and 40 ns for the 8 × 2 and 16 × 2 models, respectively. Steered molecular dynamics simulation The details of the SMD protocol used are identical to those we have described elsewhere [23]; only a summary is

• binding free energy of the intersheet interface and also the enthalpy of the fibril complex devoid of solvent molecules. The three polymorphs of SNNFGAILSS sequence fibrils in the Class1-P (red), Class2-P (green) and Class6-AP (blue) symmetry-packing classes. (a) Models before the molecular dynamics

• simulation; (b) the structural changes in each model at the conclusion of 20 ns of MD in explicit solvent (water molecules omitted for clarity). Schematic representation of the four pulling geometries used to mechanically probe the fibril models. The centre of mass of the carbon-α atoms in the peptide marked

Nanotribology at high temperatures

• Saurav Goel,
• Alexander Stukowski,
• Gaurav Goel,
• Xichun Luo and
• Robert L. Reuben

Beilstein J. Nanotechnol. 2012, 3, 586–588, doi:10.3762/bjnano.3.68

• , Livermore, California, USA School of Engineering and Technology, Sharda University, Greater Noida, 201306, India 10.3762/bjnano.3.68 Abstract Recent molecular dynamics simulation results have increased conceptual understanding of the grazing and the ploughing friction at elevated temperatures, particularly

Self-organizing bioinspired oligothiophene–oligopeptide hybrids

• Alexey K. Shaytan,
• Eva-Kathrin Schillinger,
• Elena Mena-Osteritz,
• Sylvia Schmid,
• Pavel G. Khalatur,
• Peter Bäuerle and
• Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2011, 2, 525–544, doi:10.3762/bjnano.2.57

• well with the proposed model based on the assumption that also for 6' three dimers are needed to complete one loop of the helix. Atomistic molecular dynamics simulation To further enhance our theoretical understanding of the principles governing the formation of the fibrillar structures from thiophene