Simulation evidence for the origin of the first sharp diffraction peak

The local environment of trivalent lanthanide ions in sodium silicate glasses: A neutron diffraction study using isotopic substitution

“…(2)) for each partial pair term are shown in Table 3. The first diffraction peak in the sodium silicate (Na3S) base composition is seen at 1.7 Å À1 , and this is also present in the RE-bearing glasses although the magnitude has decreased and the peak is broader, which suggests a change in network connectivity on addition of the RE ion [25]. There are also prominent peaks at %2.9 and 5.4 Å À1 in the base glass that decrease in magnitude in the Dy-bearing samples.…”

On the Origin and Structure of the First Sharp Diffraction Peak of Amorphous Silicon

“…The behavior of the FSDP in covalent glasses often shows an anomalous dependence with respect to temperature, [ 2,13 ] pressure, [ 13,14 ] and composition. [ 6,15 ] Following the well‐known Debye–Waller [ 16 ] behavior, one may assume that the peaks in the structure factor should decrease with the increase of the temperature of the system. However, the first (sharp) diffraction peak of many glassy systems has been found to remain either invariant or become more intense and narrower at high temperature.…”

“…[ 21 ] The addition of extrinsic atoms in glassy networks has been also found to affect the FSDP. Lee and Elliott [ 15 ] have noted that the inclusion of extrinsic atoms in v‐SiO 2 can change the chemical ordering of the interstitial voids in the glassy network, which can alter the shape/width of the FSDP.…”

“…Experimental studies on GeSe 3 and GeSe 5 glasses by Armand et al [12] have indicated that the Ge-Ge atomic correlation on the length scale of 6-7 Å is the primary cause of the FSDP, which is supported by molecular dynamics studies by Vashishta et al [9] The behavior of the FSDP in covalent glasses often shows an anomalous dependence with respect to temperature, [2,13] pressure, [13,14] and composition. [6,15] Following the well-known Debye-Waller [16] behavior, one may assume that the peaks in the structure factor should decrease with the increase of the temperature of the system. However, the first (sharp) diffraction peak of many glassy systems has been found to remain either invariant or become more intense and narrower at high temperature.…”

Simulation study of pores and pore clusters in amorphous alloys Co100−xBx and Fe100−yPy

“…In contrast, the number of large pores in Fe-B and Co-B is constant over a wide range of boron concentrations. We also found some works about the pore problem in amorphous oxides [15][16][17][18]. The statistics of the pore distribution and form of their aggregation in amorphous silica were investigated in a model containing 648 atoms [15].…”