First-principles study on the effect of Hf content onmartensitic transformation temperatureof TiNiHf alloy

In this paper a first-principles study of the electronic structure and stability of B2 TiDFT TiNiHf 电子结构 马氏体转化温度 平面波DFT, TiNiHf, electronic structure, martensitic transformation temperatureProject supported by the National Natural Science Foundation of China (Grant No 50471018).3/3/2006 12:00:00 AM6/7/2006 12:00:00 AMIn this paper a first-principles study of the electronic structure and stability of B2 Ti1-xNiHfx （x = 0.2, 0.4, 0.6） and B19′ Ti1-xNiHfx（x = 0, 0.5） alloys is presented. The calculations are performed by the plane-wave pseudopotential method in the framework of the density functional theory with the generalized gradient approximation. This paper calculates the lattice parameters, density of states, charge density, and heats of formation. The results show that the electronic structure and stability of B2 Ti1-xNiHfx change gradually with Hf content. However, Hf content has little effect on the electronic structure and stability of B19′ Ti1-xNiHfx. The mechanism of the effect of Hf content on martensitic transformation temperature of TiNiHf alloys is studied from the electronic structure.     

The effect of Fe on the martensitic transformation of TaRu high-temperature shape memory alloys:A first-principles study

The effect of Fe on the martensitic transformation of TaRu high-temperature shape memory alloys has been investigated using first-principles calculations. The site preference of Fe in TaRu alloys has been clarified for the first time, and the results show that Fe is predicted to occupy Ru sites. The addition of Fe increases the stability of the Ta₅₀Ru_50-xFe_x β phase, leading to a significant decrease in the β to β′ martensitic transformation temperature. In addition, the mechanism of the Fe alloying effect is explained on the basis of the electronic structure.     

Combined experimental and theoretical study on the effect of Nb content on martensitic transformation of NbRu shape memory alloys

The effect of Nb content on the martensitic transformation of NbRu high-temperature shape memory alloys is investigated by experiments and first-principles calculations. We calculate the lattice parameters, density of states, charge density, and heats of formation of Nb_50+xRu_50-x β phase. The results show that an increase in Nb content increases the stability of Nb_50+xRu_50-x β phase, leading to a significant decrease of the β to β' martensitic transformation temperature. In addition, the mechanism of the effects of Nb content on phase stability and martensitic transformation temperature is studied on the basis of electronic structure.     

Effect of Co on magnetic property and phase stability of Ni--Mn--Ga ferromagnetic shape memory alloys: A first-principles study

The effect of Co content on magnetic property and phase stability of Ni50-xMn25Ga25Cox ferromagnetic shape memory alloys has been investigated using first-principles calculations. The total energy difference between paramagnetic and ferromagnetic state of austenite plays an important role in the magnetic transition. The high Curie temperature can be attributed to the stronger Co-Mn exchange interaction as compared to the Ni-Mn one. The phase stability of Ni50-xMn25Ga25Cox austenite increases with increasing Co content, which is discussed based on the electronic structure.     

雄县地下水多组分含量分析及水质评价

为了解雄县地区地下水水化学特征及水质现状,选取43组地下水,采用仪器分析和容量法相结合的方式对雄县地下水典型的环境项目进行测定,运用数理统计和三元相图分析了雄县地下水的主要离子特征,并运用综合评价法对地下水质量予以评价。结果表明,该类指标的方法检出限为0.001～1.30mg/L,相对标准偏差为0.30%～3.7%,pH值和偏硅酸空间变异最低(CV30%),Mg~(2+)、Cl~-、SO_4~(2-)和碘化物的空间变异性最高(CV100%),水化学类型主要以HCO_3-Na型为主,水质评价结果显示研究区域地下水水质总体状况较好,多为Ⅱ类水和Ⅲ类水。研究成果对了解雄县地下水水质现状具有重要意义。     

Microstructural,phase transformation and magnetic properties of Ni-Mn-Ga alloy fabricated by spark plasma sintering

The microstructural,phase transformation and magnetic properties of Ni-Mn-Ga alloy fabricated using the spark plasma sintering method have been investigated. The results show that both the as-sintered and annealed sintered specimens exhibit typical martensitic transformation behaviours. The martensite of the sintered specimen after annealing exhibits a ferromagnetic nature. Moreover,study of the fracture surface indicates that the transgranular fracture contributes to the higher ductility of sintered Ni-Mn-Ga alloy. In addition,the transformation strain in sintered Ni-Mn-Ga alloy is studied for the first time.