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First-principles investigation of cohesive energy and electronic structure in vanadium phosphides 被引量:2
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作者 杨振华 王先友 苏旭平 《Journal of Central South University》 SCIE EI CAS 2012年第7期1796-1801,共6页
First-principles calculations based on the density-functional theory were employed to study the crystal structure of vanadium phosphide compounds,such as V3P,V2P,VP,VP2 and VP4. Cohesive energy of five types of vanadi... First-principles calculations based on the density-functional theory were employed to study the crystal structure of vanadium phosphide compounds,such as V3P,V2P,VP,VP2 and VP4. Cohesive energy of five types of vanadium phosphide compounds was calculated to assess their structural stability. The charge density distribution and densities of states of vanadium phosphides were discussed to study further their electronic structures. The results show that the structure of metal-rich compounds is considerably more stable than the phosphorus-rich compositions,and covalent bond exists between the V and P atoms of V3P,V2P,VP,VP2 and VP4. 展开更多
关键词 first-principles calculations STABILITY cohesive energy covalent bond
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Effects of stress and physical ageing on nonlinear creep behavior of poly(methyl methacrylate)
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作者 赵荣国 陈朝中 +1 位作者 李其抚 罗文波 《Journal of Central South University》 SCIE EI CAS 2008年第S1期582-588,共7页
The effects of stress,ageing time and ageing temperature on creep behavior of poly(methyl methacrylate) were studied.After annealing above its glass transition temperature for a period of time to eliminate the stress ... The effects of stress,ageing time and ageing temperature on creep behavior of poly(methyl methacrylate) were studied.After annealing above its glass transition temperature for a period of time to eliminate the stress and thermal history,the specimens were quenched and aged at various ageing temperatures for different ageing time,and then the short-term creep tests under different stress levels were carried out at room temperature.The creep strains were modeled by means of time-ageing time equivalence and time-stress equivalence,and the master creep curves were constructed via ageing time shift factors and stress shift factors.The results indicate that the creep rate increases with stress,while decreases with ageing time,and the ageing temperature history obviously affects the creep rate.For linear viscoelastic material,the ageing shift rate is independent on imposed stress,while for nonlinear viscoelastic material,the ageing shift rate decreases with increasing stress.The unified master creep curve up to 540 d at reference state was constructed by shifting the creep curves horizontally along the logarithmic time axis to overlap each other.It is demonstrated that the time-stress equivalence,united with the time-ageing time equivalence,provides an effective accelerated characterization technique in the laboratory to evaluate the long-term creep behavior of physical ageing polymers. 展开更多
关键词 creep time-stress EQUIVALENCE time-ageing TIME EQUIVALENCE physical ageing polymer
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Influence of strain rate on fracture behavior of poly(methyl methacrylate)
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作者 赵荣国 陈朝中 《Journal of Central South University》 SCIE EI CAS 2008年第S1期555-559,共5页
The effect of strain rate on fracture behavior of poly(methyl methacrylate) was investigated.The uniaxial tensile rupture tests for the poly(methyl methacrylate) samples were carried out at different strain rates at a... The effect of strain rate on fracture behavior of poly(methyl methacrylate) was investigated.The uniaxial tensile rupture tests for the poly(methyl methacrylate) samples were carried out at different strain rates at ambient temperature.It is found that the elastic modulus of the material increases with increasing strain rate,while the elongation is reversal with strain rate.Simultaneously,there exists a critical strain rate within which the stress-strain curves overlap one another,and beyond which the curves depart from each other.The amount of energy added to the system due to work done by the imposed load was calculated,and the strain energy stored in the material at each strain rate was calculated by the current stress integral with respect to strain.The complementary strain energy,which is the difference between the work and the strain energy,was obtained and was considered to supply the surface energy to create a new crack surface in the polymeric material.It is found that the work done by the imposed load,which is needed for the fracture of poly(methyl methacrylate) sample,decreases with increasing strain rate,and the strain energy decreases with strain rate as well,which demonstrates that the polymeric material at high strain rate is easier to fracture than that at low strain rate.As the strain rate increases,the fracture mode changes from ductile,semi-ductile to brittle mode.The complementary strain energy almost sustains a constant at any strain rate.The density of surface energy,which characterizes the energy per unit area needed for creating crack surface,is a strain rate-independent material constant. 展开更多
关键词 VISCOELASTICITY fracture STRAIN ENERGY COMPLEMENTARY STRAIN ENERGY polymer
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采用丁二腈拓宽Li/CFx一次电池的使用温度范围 被引量:3
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作者 王宁 罗振亚 +4 位作者 张庆丰 潘俊安 袁铜 杨颖 谢淑红 《Journal of Central South University》 SCIE EI CAS CSCD 2023年第2期443-453,共11页
在锂离子一次电池中,氟化碳(CFx)正极因具备高能量密度而广受关注。然而,低温下CFx正极的放电比容量急剧衰减。本研究采用丁二腈(SN)作为电解液添加剂,提高了-20℃~60℃宽温范围内的放电性能。实验结果表明,以0.5C倍率放电时,60℃、40℃... 在锂离子一次电池中,氟化碳(CFx)正极因具备高能量密度而广受关注。然而,低温下CFx正极的放电比容量急剧衰减。本研究采用丁二腈(SN)作为电解液添加剂,提高了-20℃~60℃宽温范围内的放电性能。实验结果表明,以0.5C倍率放电时,60℃、40℃、25℃、0℃、-10℃和-20℃的放电比容量分别是869.9 mA·h/g、801.9 mA·h/g、761.8 mA·h/g、527.3 mA·h/g、299.4 mA·h/g、140.7 mA·h/g,明显高于无添加剂的放电比容量792 mA·h/g、766.6 mA·h/g、723.6 mA·h/g、398.8 mA·h/g、207 mA·h/g、137.7 mA·h/g。由于丁二腈参与了固体电解质中间相的形成,有效地降低了电化学阻抗,加快了放电反应动力学,改善了电池的低温电化学性能。同时,SN改善了低温下电解液与隔膜之间的相容性,提高了Li+的迁移扩散速率。本研究提供了一种方便、低黏度的电解液体系,拓宽了Li/CFx一次电池在宽温域下的应用。 展开更多
关键词 Li/CFx一次电池 丁二腈 电解液 宽温域 放电比容量
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石墨Gibbs表面自由能对锂离子电池传统负极浆初始黏度和稳定性的影响 被引量:1
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作者 周奇 文博 +5 位作者 张佳丽 刘锋 欧阳晓平 梁伊丽 吴泽轶 谢志勇 《Journal of Central South University》 SCIE EI CAS CSCD 2023年第3期665-676,共12页
负极浆料的初始黏度和稳定性对锂离子电池的生产工艺和后期性能至关重要。但是关于石墨原料的理化性质对负极浆料初始黏度和稳定性的影响尚未从根本上阐明。通过对不同粒度和比表面积的商业化石墨进行初始黏度测试,发现负极浆料的初始... 负极浆料的初始黏度和稳定性对锂离子电池的生产工艺和后期性能至关重要。但是关于石墨原料的理化性质对负极浆料初始黏度和稳定性的影响尚未从根本上阐明。通过对不同粒度和比表面积的商业化石墨进行初始黏度测试,发现负极浆料的初始黏度与石墨的非极性Gibbs表面自由能呈正相关。同时还发现,Gibbs表面自由能极性部分和非极性部分的相对大小对负极浆料的稳定性有影响。当Gibbs表面自由能极性部分接近非极性部分时,制备的浆料具有最佳的稳定性,且静置120 h以后克容量保持稳定。有趣的是,XRD和Raman光谱表征结果显示石墨粒子的Gibbs表面自由能与缺陷之间没有直接的线性关系。本研究可为锂离子电池工业生产中石墨原料的选择提供指导。 展开更多
关键词 锂离子电池 Gibbs表面自由能 石墨 负极浆料
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