最后,根据第一性原理模拟计算出了了不同相的吉布斯自由能随温度和成分变化的多项式表达式,从而可以用于铝锂合金中尺度析出的模拟。 [1] B W S A , Envelope S L B C P , Envelope J L A B P .First principles prediction of the Al-Li phase diagram including configurational and vibrational entropic c...
PHASE transitionsMARTENSITIC transformationsALUMINUM-lithium alloysThe phase diagram of the Al-Li system was determined by means of first principles calculations in combination with the cluster expansion formalism and statistical mechanics. The ground state phases were determined from first principles ...
最后,根据第一性原理模拟计算出了了不同相的吉布斯自由能随温度和成分变化的多项式表达式,从而可以用于铝锂合金中尺度析出的模拟。 [1] B W S A , Envelope S L B C P , Envelope J L A B P .First principles prediction of the Al-Li phase diagram including configurational and vibrational entropic c...
4.最后,得到了不同相的吉布斯自由能随温度和成分变化的多项式表达式,可用于铝锂合金中尺度析出模拟。 [1] Liu, S., Esteban-Manzanares, G. & LLorca, J. First Principles Prediction of the Al-Li Phase Diagram.Metall Mater Trans A52, 4675–4690 (2021). 科学指南针为超过3000家高校和企业提供一站式...
KEYWORDSALi—Mg-5ialloys.phasediagramcalculation.micro~tructures 含锂的铝合金密度低,比强度高,是一种重要的航空材料.提高含锂的铝合金的塑 韧性配 合,是材料研究的目标合金化是改善含锂铝合金性能的一种重要手段.人们已经对 A1一Cu-Li, A1一Mg-Li和Al—Li—cu-Mg系合金做了大量研究【..6O00系合金是一...
Relations of equilibrium phases in the Al-Ca-Li system were calculated by means of the CALPHAD (calculation of phase diagram) method. The reported thermodynamic model parameters for all the constituent binary systems were directly used in the present calculation. A novel thermodynamic description for...
Extensive lithium disorde rin Li_(1.5)Fe_(0.5)Ti_(1.5)(PO_4)_3 Nasicon by neutron diffraction,and the Li_(1+x)Fe_xTi_(2-x)(PO_4)_3 phase Catti et al., " Extensive Lithium Disorder in Li1.5Fe0.5Ti1.5(PO4) Nasicon by Neutron Diffraction, and the Li1+xFexTi2-x(PO4)3 Phas...
Phase evolution and mechanical properties of Al-2.8 % Cu-1.35 %Li- 0.11%Zr alloy under thermal coupling HAO Min", WANG Liang 1^, LI Guoai", FENG Zhaohui 1^,CHEN Junzhou u , HE Weiwei 陀 (1. Beijing Institute of Aeronautical Materials, Beijing ...
Lee and Persson82employed a cluster expansion model to determine the structural phases that give rise to the different features in the voltage profile of LixNi0.5Mn1.5O4. Yuet al.83calculated the phase diagram of spinel LixCuyTiS2, a material that undergoes lithium displacement reactions, using...
The high-pressure phase diagram of an aluminium-rich Al-Li alloy at a 5.4 GPa pressure was investigated. To determine the equilibrium state under high-pressure and high-temperature conditions, the quenching method was applied and a phase analysis of the sample was performed using X-ray diffractio...