陶瓷颗粒烧结过程中气孔的扩散转移

用扩散界面相场模型研究陶瓷烧结过程中五球模型内部的气孔扩散与演化过程。采用一组随时间和空间连续变化的取向场变量和浓度场变量来表征烧结过程微结构特征,并分别用Ginzburg-Laudau动力学方程和Cahn-Hilliard动力学方程描述取向场变量和浓度场变量随时间的演化。计算模拟结果表明,陶瓷颗粒间的气孔主要是通过晶界向较大的气孔扩散聚集和颗粒外部空间扩散,这些结果与已有的陶瓷颗粒烧结实验和理论结果相符合,揭示了陶瓷颗粒烧结致密化过程的本质。     

基于带宽积分平均衍射效率的多层衍射光学元件设计

以衍射光学元件(DOE)相位延迟表达式为基础,研究并给出了多层衍射光学元件(MLDOE)的带宽积分平均衍射效率(BIADE)与相应设计波长关系的表达式。在MLDOE的基底材料确定后,由所给出的表达式可以得到最大BIADE及相应的设计波长,由此可以实现MLDOE的BIADE最大化、精确化设计。在0.4～0.7μm可见光波段,以聚甲基丙烯酸酯和聚碳酸酯为基底材料,通过优化得到最大BIADE为99.3%,相应的设计波长为0.435μm和0.598μm,各层谐衍射元件(HDE)的微结构高度分别为16.460μm和12.813μm,所得到的BIADE比以0.4μm和0.7μm为设计波长时高4%。     

2D编织陶瓷基复合材料应力-应变行为的试验研究和模拟

本文对2D编织陶瓷基复合材料拉伸应力-应变行为进行了试验研究和理论模拟。将2D编织结构简化为：正交铺层结构和纤维束波动结构。基于基体随机开裂、纤维随机断裂的统计分布理论,得到正交铺层结构的应力-应变关系;基于体积平均方法,将纤维束波动部分分割为若干子单元;由于纤维束的波动使各子单元材料方向与加载方向不一致,因此考虑了各子单元的线性行为和非线性行为对材料响应的影响,同时引入强度分析模型,得到纤维束波动部分的应力-应变关系。结合正交铺层部分和纤维束波动部分的应力-应变关系,得到2D编织结构的应力-应变行为,理论与试验吻合较好。     

CePO_4/Ce-ZrO_2可加工陶瓷性能与断裂机制研究

以Ce ZrO2为基体,通过复合不同加入量的第二相CePO4颗粒,研究了陶瓷材料力学性能的变化,并借助加载能谱仪(EDS)的扫描电子显微镜(SEM)对材料弯曲断口及压痕裂纹扩展方式进行分析。当CePO4加入量为25%时,虽然材料力学性能有一定下降,但已经能用WC刀具进行加工。材料的弯曲断口显示,CePO4在两相体系中的断裂呈层片状形式;加入CePO4后,由于两相之间弱结合界面的存在,压痕裂纹扩展形式发生明显变化,由连续扩展机制过渡为不连续扩展。由这两种机制形成的材料断裂过程是阶段性的,在实际中可以用作材料最终破坏前的预报。     

二维铁电材料ABP2X6内在极高的负泊松比

Recently, ferroelectric materials have attracted considerable research attention. In particular, two dimensional (2D) ferroelectric materials have been considered as most crucial for next-generation circuit designs because of their application as novel electric memory devices. However, a 2D ferroelectric material is very rare. The ferroelectric materials with the form ABP₂X₆ (A = Ag, Cu; B = Bi, In; X = S, Se) are of interest because of their ferroelectric property maintained in their ultrathin structures. Within the ABP₂X₆ monolayer, the P―P bonds form the pillars that hold the top and bottom X planes, while the off-center A―B atoms between the X layers induce a spontaneous ferroelectric polarization. If the two off-center A―B sites are equally aligned, this would lead to the appearance of the paraelectric state. Such intriguing structures must impart novel mechanical properties to the materials. Until now, there has been no report on the mechanical properties of monolayer ABP₂X₆. Based on first-principles calculations, we studied the structural, electronic, mechanical as well as the electromechanical coupling properties of monolayer ABP₂X₆ (A = Ag, Cu; B = Bi, In; X = S, Se). We found that they are all semiconductors with wide bandgaps of 2.73, 2.17, 3.00, and 2.31 eV for CuInP₂Se₆, CuBiP₂Se₆, AgBiP₂S₆, and AgBiP₂Se₆, respectively, which are calculated based on the Heyd-Scuseria-Ernzerhof (HSE) exchange correlation functional model. The conduction band minimum is mainly from p orbitals of X and B atoms, whereas the valence band maximum is due to the hybridization of the p orbital of X atoms and the d orbital of A atoms. Moreover, there are three short and three long A/B―X bonds due to the A―B off-center displacement. Together with the d-p orbital hybridization, the main reason for the distorted ferroelectric structure in ABP₂X₆ monolayers is the Jahn-Teller effect. ABP₂X₆ monolayers are predicted to be a new class of auxetic materials with an out-of-plane negative Poisson's ratio, i.e., the values of the negative Poisson's ratio are in the order AgBiP₂S₆ (−0.805) < AgBiP₂Se₆ (−0.778) < CuBiP₂Se₆ (−0.670) < CuInP₂S₆ (−0.060). This is mainly due to the tensile strain applied in the x/y direction enlarging the angle between P―P bonds and top layer X atoms, thereby enhancing the bucking height of monolayer ABP₂X₆. Moreover, external strain has a significant impact on the A―B off-center displacement, rendering an out-of-plane piezoelectric polarization. The values of e₁₃ for CuInP₂S₆, CuBiP₂Se₆, AgBiP₂S₆, AgBiP₂Se₆ monolayers are calculated to be −3.95 × 10⁻¹², −5.68 × 10⁻¹², −3.94 × 10⁻¹², −2.71 × 10⁻¹² C∙m⁻¹, respectively, which are comparable to the only experimentally confirmed 2D out-of-plane piezoelectric Janus system (piezoelectric coefficient = −3.8 × 10⁻¹² C∙m⁻¹). This unusual auxetic behavior, ferroelectric polarization, and the electromechanical coupling in monolayer ABP₂X₆ could potentially lead to enormous technologically important applications in nanoelectronics, nanomechanics, and piezoelectrics.     

4-(3-(4-羟基苯基) -3-氧代-1-芳基丙氨基)-N-(5-甲基异噁唑-3-基)苯磺酰胺的合成与抗糖尿病活性

由磺胺甲噁唑、对羟基苯乙酮和芳香醛反应直接合成了13个未见报道的β-氨基酮,反应选择性发生在羰基α位。产物结构通过¹H NMR、¹³C NMR、MS进行了表征。生物活性试验显示,低浓度范围,所得化合物不仅显示一定的蛋白质酪氨酸磷酸酶1B(PTP1B)和α-葡萄糖苷酶抑制活性,而且具有中等强度的过氧化物酶体增殖物激活受体反应元件(PPRE)的激动活性,8个化合物的激动活性超过40％,其中化合物11的活性达到72.7％。     

ICP-AES测定陶瓷器皿中微量溶出铅、镉的研究

用4%乙酸溶液萃取分离日用瓷表面微量溶出元素Pb和Cd后,采用电感耦合等离子体原子发射光谱(ICP-AES)法进行了分析,对影响其测量的各种因素进行了较详细的研究,确定了实验的最佳测定条件。结果表明,方法的检出限为0.023(Pb)和0.006μg/L(Cd),回收率为98.0%~104.0%,RSD小于3.5%。该法准确、快速、简便,应用于日用瓷中的微量溶出铅、镉的测定,结果满意。     

预烧温度对CaO-Li_2 O-Sm_2O_3-TiO_2微波介质陶瓷介电性能的影响

用固相反应法制备了CaO-Li2O-Sm2O3-TiO2(CLST)微波介质陶瓷。通过改变预烧温度(1 000~1 200℃)研究其对CLST微波介质陶瓷介电性能的影响。研究过程中,对预烧粉体与烧结陶瓷进行XRD与SEM分析,对陶瓷的介电性能εr、Q、τf进行了测试。结果表明,预烧温度对CLST微波介质陶瓷介电性能有较大影响,在预烧温度1 150℃,烧结温度1 340℃时可获得较好的介电性能:εr=112,Q=845,τf=52×10-6/℃。     

掺盐MEBA-co-KH570共聚物的湿敏性能

采用甲基丙烯酸二甲氨基乙酯的溴代丁烷季铵盐和硅烷偶联剂KH570的共聚物作为感湿聚合物,并向该聚合物中掺杂LiCl、CaCl2、FeCl33种不同的盐类,制备了高分子电阻型湿敏元件,系统研究了聚合物浓度、无机盐的种类和浓度对元件湿敏性能的影响。结果表明,在33%～95%RH湿度范围内,元件显示出较高的灵敏度(b为-0.043 8～-0.038 8)和较好的线性(R为-0.994 8～-0.981 6),且阻抗随聚合物浓度的增加而下降,但响应变慢;掺杂LiCl和CaCl2可使元件阻抗变小,掺杂FeCl3却使元件阻抗增大;在1×10-2mol/L的最佳LiCl掺杂浓度下,元件具有最好的灵敏度(b=-0.044 6)和最短的脱湿时间(20 s)。