Au₅₅, a stable glassy cluster: results of ab initio calculations

• Dieter Vollath,
• David Holec and
• Franz Dieter Fischer

Beilstein J. Nanotechnol. 2017, 8, 2221–2229, doi:10.3762/bjnano.8.222

• common in the bulk. On the other hand, a non-crystalline cluster will certainly show some short-range order. Due to the limited size of the clusters, coordination numbers or the pair correlation function are not unequivocal characteristics of the state of the order. Nonetheless, these quantities are

Atomic structure of Mg-based metallic glass investigated with neutron diffraction, reverse Monte Carlo modeling and electron microscopy

• Rafał Babilas,
• Dariusz Łukowiec and
• Laszlo Temleitner

Beilstein J. Nanotechnol. 2017, 8, 1174–1182, doi:10.3762/bjnano.8.119

• the short-range order. Keywords: electron microscopy; metallic glasses; neutron diffraction; reverse Monte Carlo modelling; short-range order; Introduction Magnesium-based metallic glasses are often described as the most sought after alloys given the increasing demand for light weight and low cost

• those determined from the conventional XRD results. Moreover, the value of R can be also related to the formation of icosahedral MgCu clusters. Jovari et al. [29] examined the short-range order of amorphous Mg–Cu–Y glass and also reported that Mg–Mg and Mg–Cu nearest atomic distances are very similar to

• also describes the short-range order (SRO). It can be observed that the distributions of N around Mg and Cu atoms are quite similar. However, the N = 9 clusters are dominant around Mg atoms, but the N = 8 clusters have the highest fraction around Cu atoms. On the other hand, the N = 8 clusters exhibit

Structural and magnetic properties of iron nanowires and iron nanoparticles fabricated through a reduction reaction

• Marcin Krajewski,
• Wei Syuan Lin,
• Hong Ming Lin,
• Katarzyna Brzozka,
• Sabina Lewinska,
• Natalia Nedelko,
• Anna Slawska-Waniewska,
• Jolanta Borysiuk and
• Dariusz Wasik

Beilstein J. Nanotechnol. 2015, 6, 1652–1660, doi:10.3762/bjnano.6.167

• , which means that the short-range order in this phase is similar as in ordered oxides, contrary to real amorphous oxides which show paramagnetic behaviour at room temperature [20][22]. The relative contribution of iron atoms belonging to the individual phases has been evaluated from the area of the

Entropy effects in the collective dynamic behavior of alkyl monolayers tethered to Si(111)

• Christian Godet

Beilstein J. Nanotechnol. 2015, 6, 583–594, doi:10.3762/bjnano.6.60

• classical model, in contrast with n ≈ 1, where reorientations are fully correlated). In summary, over the whole investigated temperature range, while little difference in long-range order (pre-peak slopes mB1 ≈ mB2) is observed between mechanisms B1 and B2, short-range order (post-peak slopes nB1 < nB2) is

• analysis indicates better short-range order (along with weaker motional constraints) for gauche defects as compared with end-group dipoles. Experimental Covalent immobilization of mixed alkyl/acid OML Covalent OML grafting was performed on hydrogen-terminated Si(111):H surfaces using linear alkene

Influence of grain size and composition, topology and excess free volume on the deformation behavior of Cu–Zr nanoglasses

• Daniel Şopu and
• Karsten Albe

Beilstein J. Nanotechnol. 2015, 6, 537–545, doi:10.3762/bjnano.6.56

• Cu36Zr64 glassy alloys have been cooled to 50 K with a cooling rate of 0.01 K/ps. The Cu-centered full icosahedral (FI) short range order (SRO) and free volume content was analyzed using the Voronoi tessellation method [20]. We have focused the characterization of topological SRO on the population of Cu

Properties of plasmonic arrays produced by pulsed-laser nanostructuring of thin Au films

• Katarzyna Grochowska,
• Katarzyna Siuzdak,
• Peter A. Atanasov,
• Carla Bittencourt,
• Anna Dikovska,
• Nikolay N. Nedyalkov and
• Gerard Śliwiński

Beilstein J. Nanotechnol. 2014, 5, 2102–2112, doi:10.3762/bjnano.5.219

• coalescence both result in the formation of the NP structure. The final geometry and NP distribution depends on the surface tension forces at equilibrium characterized by a minimal ratio of the NP surface-area-to-volume [31]. The short-range order observed for structures in Figure 1a–c confirms the NP self

• characterized by a short-range order and by distributions of the particle and inter-particle size and also particle shape. The partially spherical/spheroidal shape of the particles contributes to the broadening of the absorbance band and provides observable effects in the optical response of the nanoarrays. The

On the structure of grain/interphase boundaries and interfaces

• K. Anantha Padmanabhan and
• Herbert Gleiter

Beilstein J. Nanotechnol. 2014, 5, 1603–1615, doi:10.3762/bjnano.5.172

• atomistics, the free volume fraction and the number of atoms present in an ensemble should also be treated as variables and that even the short-range order that develops need not always lead to crystallinity. When the ensemble is crystalline, we have referred to it as “structural unit”. The non-crystalline

• more than one species is present in a material, i.e., short-range order always exists. This is due to the presence of interatomic (including electronic) attractive and repulsive forces and the drive to decrease the free energy of the system. Equation 1 applies to a cluster of atoms. When it gets

• that nano-glasses have a longer and special short-range order (SRO) compared with melt-quenched glasses. This is qualitatively assigned to the greater energy release during vapor-quenching compared to melt-quenching. (The ratio of heat of vaporization to heat of fusion is 25.33 for iron, 19.05 for

Adsorption of the ionic liquid [BMP][TFSA] on Au(111) and Ag(111): substrate effects on the structure formation investigated by STM

• Benedikt Uhl,
• Florian Buchner,
• Dorothea Alwast,
• Nadja Wagner and
• R. Jürgen Behm

Beilstein J. Nanotechnol. 2013, 4, 903–918, doi:10.3762/bjnano.4.102

• identify anions and cations separately. Going to the present system, [BMP][TFSA] adsorption on Ag(111) and Au(111), we find two types of structures, one type which similar to the above observations does not exhibit a long-range order but rather a short-range order, which we denote as ’2D glass’ phase, and

Plasticity of nanocrystalline alloys with chemical order: on the strength and ductility of nanocrystalline Ni–Fe

• Jonathan Schäfer and
• Karsten Albe

Beilstein J. Nanotechnol. 2013, 4, 542–553, doi:10.3762/bjnano.4.63

• choose different values for Δμ to chemically equilibrate the system at a global composition, deviating from the stoichiometric concentration. The short range order in the system was evaluated by computing the Warren and Cowley [24] order parameter for each atom surrounded by its 12 nearest neighbors as

• start from a perfectly ordered or a disordered state (not shown). Figure 2 shows representative slices through individual grains and the surrounding GBs for different grain sizes and composition. In the inset, the slice is colored according to the deviation from perfect L12 short range order, where

• green refers to a perfect L12 structure. For all atoms in the grain interior perfect L12 short range order (and consequently also long range order) is conserved for both studied grain sizes. Furthermore, it is visualized (for the 5 nm case), that also for a deviation from stoichiometric composition, the

Size-dependent phase diagrams of metallic alloys: A Monte Carlo simulation study on order–disorder transitions in Pt–Rh nanoparticles

• Johan Pohl,
• Christian Stahl and
• Karsten Albe

Beilstein J. Nanotechnol. 2012, 3, 1–11, doi:10.3762/bjnano.3.1

• and low platinum concentration. A decrease of platinum surface segregation with increasing global platinum concentration was observed, when a second, ordered phase is formed inside the core of the particle. The order–disorder transitions were analyzed in terms of the Warren–Cowley short-range order

• parameters. Concentration-averaged short-range order parameters were used to remove the surface segregation bias of the conventional short-range order parameters. Using this procedure, it was shown that the short-range order in the particles at high temperatures is bulk-like. Keywords: Monte Carlo

• question of how to interpret a two-phase equilibrium in the particle, and the effects related to surface segregation are examined. Furthermore, we evaluate the Warren–Cowley short-range order (WC-SRO) parameters in order to investigate the order–disorder phase transitions in the particles. These parameters

Ultrafine metallic Fe nanoparticles: synthesis, structure and magnetism

• Olivier Margeat,
• Marc Respaud,
• Catherine Amiens,
• Pierre Lecante and
• Bruno Chaudret

Beilstein J. Nanotechnol. 2010, 1, 108–118, doi:10.3762/bjnano.1.13

• to that of β-Mn, characterized by a short-range order. The average magnetic moment per Fe atom is raised to 2.59 µB (for comparison, bulk value of metallic Fe: 2.2 µB). Even if the spontaneous magnetization decreases rapidly as compared to bulk materials, it remains enhanced even up to room

• ., lower than that of bulk iron. XANES and EXAFS are other powerful tools for the study of short range order [29]. We therefore carried out these measurements at the iron K-edge at room temperature. Figure 3 shows the data obtained for the iron NPs and an iron foil used as a reference, and the first

• NPs without long-range order. The structural determination is therefore not unequivocal. However, this study demonstrates NPs with a short-range order similar to β-Mn with a local polytetrahedral atomic arrangement with areas both more and much less dense than in bulk structures. It is noteworthy that