（100）应变对正交相Ca2P0.25Si0.75能带结构及光学性质的影响

采用第一性原理赝势平面波方法对（100）应变下正交相Ca2P0.25Si0.75的能带结构及光学性质进行模拟计算.计算结果表明：（100）面在晶格发生100％～116％张应变时,带隙随着应变增加而减小;在晶格发生96％～100％压应变时,带隙随着张应变的增加而增加;88％～96％压应变时,带隙随着压应变的增加而减小;当压应变大于88％后转变为间接带半导体.当施加应变后光学性质发生显著的变化：随着压应变的增加静态介电常数、折射率逐渐减小,张应变则反之.施加压应变反射向低能方向偏移,施加张应变反射向高能方向偏移,但施加应变对反射区域的影响不显著.施压应变吸收谱、光电导率的变化与介电函数和折射率相反.综上所述,应变可以改变Ca2P0.25Si0.75的电子结构和光学常数,是调节Ca2P0.25Si0.75光电传输性能的有效手段.     

Anticancer Ruthenium(III) Complex KP1019 Interferes with ATP‐Dependent Ca2+ Translocation by Sarco‐Endoplasmic Reticulum Ca2+‐ATPase (SERCA)

Sarco‐endoplasmic reticulum Ca²⁺‐ATPase (SERCA), a P‐type ATPase that sustains Ca²⁺ transport and plays a major role in intracellular Ca²⁺ homeostasis, represents a therapeutic target for cancer therapy. Here, we investigated whether ruthenium‐based anticancer drugs, namely KP1019 (indazolium [trans‐tetrachlorobis(1H‐indazole)ruthenate(III)]), NAMI‐A (imidazolium [trans‐tetrachloro(1H‐imidazole)(S‐dimethylsulfoxide)ruthenate(III)]) and RAPTA‐C ([Ru(η⁶‐p‐cymene)dichloro(1,3,5‐triaza‐7‐phosphaadamantane)]), and cisplatin (cis‐diammineplatinum(II) dichloride) might act as inhibitors of SERCA. Charge displacement by SERCA adsorbed on a solid‐supported membrane was measured after ATP or Ca²⁺ concentration jumps. Our results show that KP1019, in contrast to the other metal compounds, is able to interfere with ATP‐dependent translocation of Ca²⁺ ions. An IC₅₀ value of 1 μM was determined for inhibition of calcium translocation by KP1019. Conversely, it appears that KP1019 does not significantly affect Ca²⁺ binding to the ATPase from the cytoplasmic side. Inhibition of SERCA at pharmacologically relevant concentrations may represent a crucial aspect in the overall pharmacological and toxicological profile of KP1019.     

Fabrication and investigation of Ca/Tb co-doped HfO2 infrared coatings

In this study, Ca/Tb co-doped HfO₂ coatings were prepared by atmosphere plasma spraying. The chemical composition, morphology and infrared property of the coatings were characterized. The coatings possessed a layer-stacked morphology. When the Ca/Tb doping atomic ratio was 1:1, the phase of the coatings gradually changed from monoclinic to cubic with increasing the doping mass. The CTH2 coating had the highest emissivity which was 0.820 in 0.75–6.5 µm and 0.902 in 6.5–15 µm respectively. The enhancement in short band was mainly due to the introduction of Ca²⁺ and Tb³⁺ ions that generated oxygen vacancies in the lattice forming impurity levels within the forbidden band, moreover, the transfer of Tb³⁺ to Tb⁴⁺ increased the concentration of free electrons, which promoted the absorption of free carriers. The increase in long band attributed to the lattice distortion that reduced the lattice symmetry and strengthened the absorption of lattice polar vibration.     

Comparative studies of grain refinement of commercial purity Mg by CaO and Ca addition

ABSTRACT

The comparative studies of grain refinement of commercial purity Mg by CaO/Ca addition have been investigated by using TP-1 tests, optical microscope, XRD characterisation and TEM (STEM) observation along with EDX analysis. Experimental results showed that Ca/CaO addition significantly refines the grain structure of commercial purity Mg. Compared with Ca addition, CaO exhibits finer grain size and the average grain size remains invariable with further CaO addition. CaO addition is readily reduced to Ca by Mg melt and forms Mg₂Ca on the surface of MgO particles. First-principle calculations were used to understand the nucleation of Mg₂Ca layer by a coherent interface model calculating the work of adhesion and the interface energy between Mg₂Ca and α-Mg. The combination of experiments and calculations showed that the formation of Mg₂Ca layer on MgO facilitates the nucleation of α-Mg and then refines the grain structure by Ca or CaO addition.     

Effect of Ca on Corrosion Resistance Behavior of as-Cast AZ91 Magnesium Alloys

研究了0.5,1.0和1.5(质量分数,%,下同)的Ca对铸态AZ91镁合金微观组织和耐蚀性的影响。利用OM、SEM/EDS和XRD观察金相组织、进行微观分析和确定相组成。分别采用静态失重腐蚀、电化学腐蚀和盐雾腐蚀对不同成分的AZ91合金进行实验。结果表明,0.5Ca的存在没有形成任何新的金属间相,而是通过溶解于第二相和基质中抑制β-Mg17Al12相的不连续沉淀。AZ91-1.0Ca合金耐蚀性最好。AZ91-1.0Ca和AZ91-1.5Ca合金中出现了骨状的Al4Ca相,并且β相尺寸显著下降。在AZ91-1.0Ca合金中,β相分布十分均匀。因此,可以认为,随着不同含量Ca的加入,铸态AZ91镁合金耐蚀性的变化是由于其微观组织的变化而引起的。     

磷酸二氢钾溶液脱钙实验研究

采用K2CO3及NH4HCO4作为除杂剂,对萃取法制备KH2PO4过程中的钾料液进行脱Ca2+实验研究,考察碳酸盐脱除Ca2+对KH2PO4产品质量的影响。结果表明,K2CO3比NH4HCO3更适合作为KH2PO4溶液的除杂剂,同时,热过滤操作有助于脱Ca2+液的分离,并提高产品性能。     

等通道转角挤压对生物Mg-Zn-Ca合金显微组织与腐蚀行为的影响

旨在探讨等通道转角挤压(equal-channel-angular-pressed,ECAP)对生物医用Mg-3Zn-0.2Ca合金的显微组织以及腐蚀行为的影响。对铸态Mg-3Zn-0.2Ca合金进行了1,2,4道次的剪切挤压变形。采用光学显微组织观察、X射线反射法、电化学等手段研究了挤压道次对镁合金显微组织、织构以及腐蚀行为的影响,也特别关注了ECAP对试样的不同截面方向的显微组织演变以及模拟体液(simulatedbodyfluid,SBF)电化学腐蚀行为的影响。结果表明:ECAP变形后铸态Mg-3Zn-0.2Ca镁合金晶粒逐渐细化,变形后镁合金呈现出与挤压方向呈一定角度的002面剪切织构;随着挤压道次增加,合金的耐蚀性先增加后降低。等通道转角挤压对合金耐蚀性的影响是晶粒尺寸、晶体缺陷和织构变化的综合效果;ECAP变形后合金不同截面方向呈现不同的耐蚀性,垂直于挤压方向截面的耐蚀性优于另2个方向截面的耐蚀性。     

Wettability and biomineralisation of laser cladded Si doped TiCN biocoating

Surface textured Si doped TiCN coatings were synthesised on Ti–6Al–4V alloy by laser cladding technique. Phase constituent examination by X-ray diffraction revealed the formation of similar phases of TiC_0.2N_0.8 and Ti₅Si₄ within all coated samples. Laser coated samples presented much higher surface free energy compared to Ti–6Al–4V control due to the textured structure, which in turn demonstrated a better wettability and improved biomineralisation. Variation of silica content presented no significant influence on surface free energy, indicating that the silica content can be varied in a large range. The mineralised samples obtained after immersion in simulated body fluid were characterised to understand the mechanism and kinetics of Ca–P precipitation. The results confirmed that the precipitation kinetics of Ca–P was influenced by the substitution of silica.     

析出相对含Ca镁合金腐蚀行为的影响

利用XRD、SEM、TEM和EDS等方法表征了Mg-Al-Zn-xCa(x=0、1.25%、1.74%、2.53%)合金腐蚀前后的组织结构,并采用失重法、电化学法、扫描探针显微镜(SPM)研究了合金腐蚀行为。结果表明：合金主要由α-Mg、β-Mg₁₇Al₁₂、Al₂Ca和(Mg,Al)₂Ca 组成。随着Ca含量的增加,合金组织中枝晶臂减小,主要沿晶界分布的Mg₁₇Al₁₂尺寸、数量逐渐减小, Al₂Ca由骨骼状连接成网状,(Mg,Al)₂Ca增多长大。腐蚀测试结果显示：添加Ca后的合金中α+β共晶减少,导致腐蚀通道变窄且比例减小。Ca元素能够使阳极自腐蚀电位升高,形成的Al₂Ca阴极相抑制了析氢过程。合金中主要析出相Al₂Ca 与α-Mg的电势差小于β-Mg₁₇Al₁₂与α-Mg的电势差。     

Influence of trace Ca addition on texture and stretch formability of AM50 magnesium alloy sheet

The AM50, AM50–0.1Ca, AM50–0.3Ca and AM50–0.5Ca (wt.%) alloys were hot-rolled and their mechanical properties were determined for the purpose of investigating the effect of trace Ca addition on the texture and stretch formability of AM50 alloy. The results show that the addition of trace Ca can effectively modify the basal texture, which is characterized by the split of basal poles deviated from the normal direction (ND) after the hot rolling, while a broad spread of the basal planes toward the transverse direction (TD) after the annealing. Such change of the basal texture is related to the prior formation of massive compression twins and the decrease of the c/a ratio. Erichsen value increases from 2.25 to 4.21 mm with the increase of Ca content. The enhancement of stretch formability is ascribed to the weakened basal texture, which results in the increase of n-value and the decrease of r-value.