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101.
Mariagrazia Fortino Alessandro Berselli Nicholas Stone-Weiss Lu Deng Ashutosh Goel Jincheng Du Alfonso Pedone 《Journal of the American Ceramic Society》2019,102(12):7225-7243
Borates and borosilicates are potential candidates for the design and development of glass formulations with important industrial and technological applications. A major challenge that retards the pace of development of borate/borosilicate based glasses using predictive modeling is the lack of reliable computational models to predict the structure-property relationships in these glasses over a wide compositional space. A major hindrance in this pursuit has been the complexity of boron-oxygen bonding due to which it has been difficult to develop adequate B–O interatomic potentials. In this article, we have evaluated the performance of three B–O interatomic potential models recently developed by Bauchy et al [J. Non-Cryst. Solids, 2018, 498, 294–304], Du et al [J. Am. Ceram. Soc. https://doi.org/10.1111/jace.16082 ] and Edèn et al [Phys. Chem. Chem. Phys., 2018, 20, 8192–8209] aiming to reproduce the short-to-medium range structures of sodium borosilicate glasses in the system 25 Na2O x B2O3 (75 − x) SiO2 (x = 0-75 mol%). To evaluate the different force fields, we have computed at the density functional theory level the NMR parameters of 11B, 23Na, and 29Si of the models generated with the three potentials and the simulated MAS NMR spectra compared with the experimental counterparts. It was observed that the rigid ionic models proposed by Bauchy and Du can both reliably reproduce the partitioning between BO3 and BO4 species of the investigated glasses, along with the local environment around sodium in the glass structure. However, they do not accurately reproduce the second coordination sphere of silicon ions and the Si–O–T (T = Si, B) and B-O-T distribution angles in the investigated compositional space which strongly affect the NMR parameters and final spectral shape. On the other hand, the core-shell parameterization model proposed by Edén underestimates the fraction of BO4 species of the glass with composition 25Na2O 18.4B2O3 56.6SiO2 but can accurately reproduce the shape of the 11B and 29Si MAS-NMR spectra of the glasses investigations due to the narrower B–O–T and Si-O-T bond angle distributions. Finally, the effect of the number of boron atoms (also distinguishing the BO3 and BO4 units) in the second coordination sphere of the network former cations on the NMR parameters have been evaluated. 相似文献
102.
R Fuhrer C Dufouil TC Antonucci MJ Shipley C Helmer JF Dartigues 《Canadian Metallurgical Quarterly》1999,149(2):116-126
The possible modifying effect of social relations on the association between depression and mortality was examined in a community-based cohort study. A total of 3,777 randomly selected persons 65 years of age and older in southwest France were followed over a 5-year period from 1988 in the Personnes Agees Quid (PAQUID). At study entry, the prevalence of elevated depressive symptomatology was 12.9% for men and 14.7% for women, and the reported relative isolation was 14.1% for men and 26.0% for women. During a total of 16,984 person-years of follow-up, 849 deaths occurred. Among participants with high levels of depressive symptomatology, the age-adjusted mortality rate ratio was 2.10 (95% confidence interval 1.7-2.7) in men and 1.76 (95% confidence interval 1.4-2.3) in women. When compared with individuals with the most connections, men and women with few social network connections were also at increased risk of mortality: age-adjusted rate ratio = 2.69 (95% confidence interval 1.9-3.8) for men and 1.56 (95% confidence interval 1.0-2.4) for women. Satisfaction with social support had a small but nonsignificant effect on mortality risk. For women, the excess risks due to depressive symptoms and few network connections are observed only in the 65- to 74-year age group, after adjusting for health and health behaviors. Social relations did not significantly modify the depression-mortality associations for either men or women, although the depression-mortality effect was reduced by 12.8% in men. The latter findings do not appear to be compatible with the buffering hypothesis, whereby we would expect social relations to decrease the depression-mortality association. Nonetheless, there are independent effects from these two factors, and older men who are depressed and not socially connected are at increased risk of dying earlier. 相似文献
103.
Theoretical and experimental design considerations for single-mode-crossing switches at the wavelength of 1.32 μm are presented. The dependence of extinction ratio on branch angle for the extended electrodes and the estimation of fabrication tolerances of the crossing channel structure are discussed. It is also shown that crossing channel devices required a precise control of fabrication parameters 相似文献
104.
FN Rehman M Audeh ES Abrams PW Hammond M Kenney TC Boles 《Canadian Metallurgical Quarterly》1999,27(2):649-655
A flexible chemistry for solid phase attachment of oligonucleotides is described. Oligonucleotides bearing 5'-terminal acrylamide modifications efficiently co-polymerize with acrylamide monomers to form thermally stable DNA-containing polyacrylamide co-polymers. Co-polymerization attachment is specific for the terminal acrylamide group. Stable probe-containing layers are easily fabricated on supports bearing exposed acrylic groups, including plastic microtiter plates and silanized glass. Attachment can be accomplished using standard polyacrylamide gel recipes and polymerization techniques. Supports having a high surface density of hybridizable oligonucleotide (approximately 200 fmol/mm2) can be produced. 相似文献
105.
P Chanbancherd AE Brown R Trichavaroj P Tienamporn P Puthakird N Limpairojn TC VanCott MS de Souza 《Canadian Metallurgical Quarterly》1999,37(3):804-806
Dried blood spot (DBS) specimens were assessed as an alternative to plasma for human immunodeficiency virus type 1 (HIV-1) serotyping by V3 loop peptide enzyme immunoassay. Nested PCR capable of distinguishing HIV-1 subtypes B and E was used as the reference standard. Ninety-two percent of DBS samples were typeable as either HIV-1 subtype B or E. Serotype results with DBS and plasma were identical for 254 of 257 specimens. A simple DBS collection method provides a convenient alternative for conducting HIV-1 serotype surveillance while retaining sensitivity and specificity. 相似文献
106.
The dependence of interconnection delays on several different methods has been examined for GaAs-based VLSI. 相似文献
107.
108.
High Strength Low Alloy (HSLA) steel exhibits good ductility at low temperatures down to 77 K in both ferrite-pearlite and
dual-phase structures. The instantaneous strain-rate sensitivity (m) increases with decreasing temperature and reaches a maximum at 100 K. This peak temperature is much lower than that for
plain carbon steels. The post-uniform elongation, which is more sensitively dependent onm, shows only slight increase around 100 K. The effect ofm on the post-uniform elongation is probably mitigated by the increasing dependence ofm on strain rate above 180 K. The uniform elongation, normally associated with the strain hardening characteristics of the
material, also shows some increase around 100 K. Therefore, both strain-hardening and strain-rate hardening are responsible
for the enhanced ductility of HSLA steel around 100 K. 相似文献
109.
110.