Tagiara N S, Moayedi E, Kyritsis A, Wondraczek L, Kamitsos E I
Theoretical and Physical Chemistry Institute , National Hellenic Research Foundation , 48 Vassileos Constantinou Avenue , 116 35 Athens , Greece.
Otto Schott Institute of Materials Research , Friedrich-Schiller-Universität Jena , Fraunhoferstrasse 6 , 07743 Jena , Germany.
J Phys Chem B. 2019 Sep 19;123(37):7905-7918. doi: 10.1021/acs.jpcb.9b04617. Epub 2019 Sep 9.
Glasses AlO-TeO, ZnO-TeO and RO-ZnO-TeO (R = Al, B) were prepared by melting in Pt crucibles and studied for correlations between structure and thermal as well as mechanical properties, whereby the glass composition is varied to tailor the short-range speciation of tellurite, aluminate, and borate groups. The glass structure was studied by Raman and infrared spectroscopy analyses, and the measured properties include glass-transition temperature (), density (ρ), and ultrasonic longitudinal () and transverse () velocities. In addition, atomic packing density (), elastic moduli, and Poisson's ratio (σ) were evaluated from the measured properties. It was found that AlO leads to cross-linked alumino-tellurite networks by strong Te-O-Al bonds, which cause a profound enhancement in . The influence of ZnO and BO on is relatively smaller due to the weaker cross-linking effects of ZnO tetrahedra and of Te···O-B bonds. Short-range bonding characteristics, interatomic bonding energy differences, and atomic packing density were found to have a strong effect on and mostly on the sound velocity. The combined effects of structure and bonding are nicely expressed in the composition dependence of Poisson's ratio; it exhibits decreasing trends with AlO content in the binary and ternary glasses studied here, but increasing trends with ZnO and BO additions in glasses ZnO-TeO and BO-ZnO-TeO, respectively. The results for Poisson's ratio and atomic packing density for the studied glasses were found to fit nicely in the global σ versus correlation established previously for a range of glasses not including tellurites so far. Finally, the sound velocities and Poisson's ratio of pure TeO glass were determined for the first time and found to differ markedly from those in the literature for TeO glass melted in alumina crucible; this is because the latter glass is highly doped by AlO leached from the alumina crucible.
通过在铂坩埚中熔融制备了AlO-TeO、ZnO-TeO和RO-ZnO-TeO(R = Al、B)玻璃,并研究了其结构与热性能以及力学性能之间的相关性,通过改变玻璃成分来调整亚碲酸盐、铝酸盐和硼酸盐基团的短程形态。通过拉曼光谱和红外光谱分析研究玻璃结构,测量的性能包括玻璃化转变温度()、密度(ρ)以及超声纵波()和横波()速度。此外,根据测量性能评估了原子堆积密度()、弹性模量和泊松比(σ)。发现AlO通过强Te-O-Al键形成交联的铝-亚碲酸盐网络,这导致显著提高。由于ZnO四面体和Te···O-B键的交联作用较弱,ZnO和BO对的影响相对较小。发现短程键合特性、原子间键合能差异和原子堆积密度对有很强的影响,并且主要对声速有影响。结构和键合的综合效应在泊松比的成分依赖性中得到很好的体现;在此处研究的二元和三元玻璃中,随着AlO含量增加,泊松比呈下降趋势,但在ZnO-TeO和BO-ZnO-TeO玻璃中,随着ZnO和BO添加量增加,泊松比分别呈上升趋势。发现所研究玻璃的泊松比和原子堆积密度结果与之前建立的、迄今不包括亚碲酸盐玻璃的一系列玻璃的全局σ与的相关性非常吻合。最后,首次测定了纯TeO玻璃的声速和泊松比,发现与在氧化铝坩埚中熔融的TeO玻璃的文献值有显著差异;这是因为后者玻璃被从氧化铝坩埚中浸出的AlO高度掺杂。