基于通用力场(Universal Force Field,UFF)方法对二氧化锆纳米管进行结构优化,并计算得到了Zr-O键等效梁单元力学性质。通过等效梁单元模拟Zr-O键,质量单元模拟Zr原子和O原子,建立Zr NTs分子结构有限元模型。研究了手性、直径和长度对...基于通用力场(Universal Force Field,UFF)方法对二氧化锆纳米管进行结构优化,并计算得到了Zr-O键等效梁单元力学性质。通过等效梁单元模拟Zr-O键,质量单元模拟Zr原子和O原子,建立Zr NTs分子结构有限元模型。研究了手性、直径和长度对一端固定和两端固定结构固有频率的影响。结果表明:手性几乎不影响Zr NTs的固有频率;随着直径的增大,两端固定结构固有频率先增大后减小,一端固定结构固有频率增大;随着长度的增大,固有频率减小,二氧化锆纳米管在长径比小于3时,固有频率随长度的增加而急剧减小,长径比大于3时,固有频率的减小幅度随长度的增加明显降低。展开更多
Blends of inorganic nano zirconium dioxide(ZrO-2) and poly(ether-sulfone)(PES) were prepared by mechanical blending. Their mechanical, thermal and electrical properties were investigated. Compared with pure PES, this ...Blends of inorganic nano zirconium dioxide(ZrO-2) and poly(ether-sulfone)(PES) were prepared by mechanical blending. Their mechanical, thermal and electrical properties were investigated. Compared with pure PES, this kind of organic/inorganic nano-composite exhibit a better electrical property, lower coefficients of thermal expansion, as well as a similar thermal properties. The mechanical properties are composition-dependent.展开更多
文摘基于通用力场(Universal Force Field,UFF)方法对二氧化锆纳米管进行结构优化,并计算得到了Zr-O键等效梁单元力学性质。通过等效梁单元模拟Zr-O键,质量单元模拟Zr原子和O原子,建立Zr NTs分子结构有限元模型。研究了手性、直径和长度对一端固定和两端固定结构固有频率的影响。结果表明:手性几乎不影响Zr NTs的固有频率;随着直径的增大,两端固定结构固有频率先增大后减小,一端固定结构固有频率增大;随着长度的增大,固有频率减小,二氧化锆纳米管在长径比小于3时,固有频率随长度的增加而急剧减小,长径比大于3时,固有频率的减小幅度随长度的增加明显降低。
文摘Blends of inorganic nano zirconium dioxide(ZrO-2) and poly(ether-sulfone)(PES) were prepared by mechanical blending. Their mechanical, thermal and electrical properties were investigated. Compared with pure PES, this kind of organic/inorganic nano-composite exhibit a better electrical property, lower coefficients of thermal expansion, as well as a similar thermal properties. The mechanical properties are composition-dependent.