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作 者:明庭尧 周虹君 高君华 代鸿 MING Tingyao;ZHOU Hongjun;GAO Junhua;DAI Hong(Chongqing Metropolitan College of Science and Technology,Chongqing University,Yongchuan Chongqing 402167,China;School of Engineering Research Information and Electrical Engineering,Chongqing University of Arts and Sciences/New Energy Storage Device and Application Engineering Research Center,Yongchuan Chongqing 402160,China)
机构地区:[1]重庆大学重庆城市科技学院,重庆永川402167 [2]重庆文理学院电子电气工程学院/重庆市高校新型储能器件及应用工程研究中心,重庆永川402160
出 处:《西南大学学报(自然科学版)》2022年第8期127-134,共8页Journal of Southwest University(Natural Science Edition)
基 金:重庆市教育委员会科学技术研究项目(KJQN201902503);重庆市自然科学基金面上项目(cstc2020jcyj-msxmX0920);重庆市永川区自然科学基金重点项目(2021yc-jckx20045).
摘 要:考虑到原子非简谐振动,建立物理模型,求出氧化钴(CoO)的原子振动的简谐系数和非简谐系数,应用固体物理理论,得到德拜温度和阻尼系数、特征寿命以及定容比热随温度的变化规律,探讨了原子非简谐振动的影响.结果表明:①CoO的德拜温度、阻尼系数和定容比热均随温度升高而增大,而特征寿命却减少,其中,德拜温度、阻尼系数和特征寿命随温度的变化非常缓慢,每升高1 K,德拜温度仅升高0.001%,而阻尼系数仅升高0.0002%,特征寿命减少约0.0002%;②定容比热随温度升高是非线性增大,其中,温度较低(T<100 K)时,近似遵从T^(3)变化规律;温度较高(T>1300 K)时,趋于常量;③非简谐振动对材料的德拜温度、阻尼系数、特征寿命和定容比热均有重要影响:若不考虑原子的非简谐效应,则CoO的德拜温度、阻尼系数、特征寿命为常量,考虑到原子非简谐振动后,则德拜温度、阻尼系数随温度的升高而增大,而特征寿命随温度的升高却减少,热容量的值比不考虑非简谐效应的值稍有减小.温度愈高,简谐与非简谐的值的差愈大,即非简谐效应愈显著.Considering the anharmonic vibration of atoms,a physical model is established to calculate the simple harmonic coefficient and anharmonic coefficient of atomic vibration of CoO.The variations of Debye temperature and damping coefficient,characteristic life and constant volume specific heat with temperature are obtained by using the theory of solid state physics,and the influence of primary anharmonic vibration is discussed.The results show that:①The Debye temperature,damping coefficient and constant volume specific heat of CoO increase with the increase of temperature,but the characteristic life of CoO decreases.The change of Debye temperature,damping coefficient and characteristic life with temperature is very slow.When temperature increasing 1K,the Debye temperature only increases 0.001%,while the damping coefficient increases only increases 0.0002%,and the characteristic life decreases about 0.0002%.②The specific heat at constant volume increases nonlinearly with the increase of temperature.When the temperature is low(T<100 K),it approximately follows the variation law of T^(3).When the temperature is high(T>1300 K),it tends to be constant.③Anharmonic vibration has an important influence on Debye temperature,damping coefficient,characteristic life and specific heat at constant volume.If the anharmonic effect of atoms is not considered,the Debye temperature,damping coefficient and characteristic life of CoO are constant.If the anharmonic effect of atoms is considered,the Debye temperature and damping coefficient increase with the increase of temperature.However,the characteristic life decreases with the increase of temperature,and the value of heat capacity is slightly smaller than that without considering anharmonic effect.The higher the temperature,the greater the difference between the harmonic and anharmonic values,means the more significant anharmonic effect.
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