新型超硬正交BN同素异形体的第一性原理研究

应用第一性原理计算,提出一种具有正交结构的BN化合物(O-BN),空间群为Pbam.计算结果表明:O-BN具有较强的抗压缩性和较大的体弹模量(397.38 GPa),其理论硬度值可达到65.10 GPa.同时,与先前理论提出的BN同素异形体相比,O-BN的能量更为稳定.理想拉伸强度计算进一步表明O-BN是一种潜在的超硬材料.我们的研究结果为实验上合成BN化合物起到了重要的理论指导作用.     

一种多变量自抗扰控制结构的设计研究

自抗扰控制器(active disturbance rejection control,ADRC)不依赖于被控系统的完全模型,采用扩张状态观测器(extended state observer,ESO)对系统的内扰和外扰进行实时估计,因而能取得较为理想的抗干扰效果。对于多变量系统,分散ADRC可以将通道之间的耦合看成扰动,通过各自通道的ESO进行估计。对于强耦合的多变量系统,分散ADRC可能不能及时消除耦合。本文提出一种多变量型ADRC控制结构,将静态解耦引入到ADRC控制器设计中,从而能充分利用系统已知动态特性,实现更好的解耦。采用所提方案对循环硫化床锅炉燃烧系统设计多变量ADRC控制方案,仿真结果表明该控制器具有很好的解耦性和鲁棒性。     

工业硅炉外吹气精炼除硼研究进展

冶金法太阳能级多晶硅技术具有能耗低、成本低和环境友好等特点,正逐步取代投资大、成本高的化学法而成为全球研究的热点.硼是工业硅中最难去除的非金属杂质之一,本文阐述了工业硅的生产过程和吹气炉外精炼除硼的原理,综述了国内外工业硅炉外氧气、湿氢、湿氧、湿二氧化碳以及吹气-熔渣联合精炼等工艺技术,并对本课题组湿氧精炼除硼的研究进行了重点介绍,分析了吹气精炼过程硅的损失问题,最后指出吹气-熔渣联合法是冶金法炉外精炼的发展方向.     

Effect of B2O3 on the structural and in vitro biological assessment of mesoporous bioactive glass nanospheres

In this paper, the boron-containing mesoporous bioactive glass (MBG) nanospheres have been successfully synthesized by modified sol-gel method assisted by surfactant, and the effect of boron substitution on structure and bioactivity was evaluated by combining experiments and ab initio molecular dynamics (AIMD) simulations. All of the samples exhibit regularly uniform mesoporous spherical microstructure with an average size of about 60 nm, and the boron-containing MBGs show higher specific surface area with the value up to 416.20 m²/g. The simulated body fluid (SBF) immersion test confirms that the deposited hydroxyapatite (HA) evidently increases with the increasing of boron content, indicating that the biological behavior has been significantly improved resulting from incorporation of boron. Additionally, our results also reveal that B₂O₃ substitution has positive impact on cell proliferation of human periodontal ligament cells (hPDLCs) at lower extracted concentration. Furthermore, AIMD simulation is employed to understand the relationship between structural changes and in vitro bioactivity in terms of structural information, especially the boron coordination number. The results illustrate that the boron-containing MBG nanospheres with excellent bioactivity are great potential for biomedical applications.     

载体包裹填料提高PE/PP/EPDM/BN材料导热性

以三元乙丙橡胶(EPDM)/氮化硼(BN)复合材料为母料,通过熔融共混EPDM/BN复合材料与聚乙烯(PE)、聚丙烯(PP),制备PE/PP/EPDM/BN复合材料。采用PE∶PP的比例为5∶5,以使复合材料形成共连续结构;通过EPDM包裹BN的方法,实现BN在PE/PP/EPDM/BN复合材料共连续结构的相界面处分布,以形成导热通路,从而提高PE/PP/EPDM/BN复合材料的导热性能。通过接触角测试和扩散系数公式计算预测了EPDM会选择性分布在PE/PP/EPDM复合材料共连续结构的相界面处。通过连续度计算结果得出,EPDM为PE和PP总质量的15%时,EPDM的连续度为85.3%。由扫描电子显微镜分析表明EPDM在PE/PP/EPDM/BN复合材料中连续贯通。由导热测试分析知,随着BN含量的增加,PE/PP/EPDM/BN复合材料的热导率逐渐增加。这项研究提高了PE/PP复合材料的热导率,此材料在电子工业中可能具有潜在应用。     

Wet-chemical coating of silicon carbide fibers with hexagonal boron nitride layers

Hexagonal BN fiber coatings and BN powders were prepared by pyrolysis of the raw materials boric acid and urea in an atmosphere consisting of hydrogen and nitrogen. The powders were used to determine the appropriate mixing ratio of the raw materials to produce BN with the desired composition and crystal structure. The pyrolysis of boric acid and urea in a molar mixing ratio of 1:2 resulted in a BN that was hexagonal and had a near-stoichiometric composition.To prepare a solution for the coating of fibers, boric acid and urea were dissolved in an ethanol-water mixture. The coating was then applied to SiC filaments using a continuous roll-to-roll dip-coating process. It could be shown by SEM/EDS that BN layers were applied to the fibers. No significant bridging in the fiber bundle was found. Furthermore, it could be demonstrated by grazing incidence x-ray diffraction that the layers were crystalline.     

铸造Al-Si合金中Sr与B间反应产物的研究

通过观察不同Sr,B含量时Al-Si合金中枝晶α和共晶Si形态与大小的变化，考察了Sr,B间的交互作用，采用X射线能谱仪对反应产物进行了分析。研究表明反应产物呈现两种不同类型：当Sr含量在0.025-0.030,B含量在0.028-0.036（质量分数，％）范围内时，二者间交互作用形成细小的SrB6化合物颗粒相，数量很少，存在于枝晶α中心；但当合金中Sr和B含量高于此范围时，形成Sr,B原子比接近3：4的Sr-B化合物，颗粒尺寸大、数量较多，且大多出现在共晶区。Sr-B化合物的形成消耗了大量的Sr和B,削弱了二元素的变质效果，导致了Sr,B间的互毒化行为。该化合物的形成为Sr,B间互毒化机理提供了直接证据。     

EFFECTS OF NUCLEATION AGENTS ON EFFICIENCY OF BORON EXTRACTION FROM MgO－B_2O_3－SiO_2 SLAGS

ＥＦＦＥＣＴＳＯＦＮＵＣＬＥＡＴＩＯＮＡＧＥＮＴＳＯＮＥＦＦＩＣＩＥＮＣＹＯＦＢＯＲＯＮＥＸＴＲＡＣＴＩＯＮＦＲＯＭＭｇＯ－Ｂ_２Ｏ_３－ＳｉＯ_２ＳＬＡＧＳ￥Ｚｈａｎｇ，Ｐｅｉｘｉｎ；Ｌｏｕ，Ｈａｉｌｉｎｇ；Ｓｕｉ，Ｚｈｉｔｏｎｇ（Ｄｅｐａｒｔｍｅｎ?..     

烧结型钕铁硼电镀锌工艺研究

研究了不同前处理工艺对烧结型钕铁硼电镀锌层性能的影响，通过对镀层孔隙率、结合力、耐蚀性等性能的测试，确定了封孔、除油、除锈、活化、浸锌、电镀锌工艺，得到了光亮、孔隙率低、结合力和耐蚀性强的镀层。     

硼对AZ91镁合金组织及性能的影响

研究了硼对AZ91镁合金显微组织和硬度的影响。结果表明：当B的加入量小于0．01％（质量分数）时，随硼加入量的增加，合金铸态组织和平均晶粒尺寸显著减小，布氏硬度明显提高；B加入量为0．01％时，合金平均晶粒尺寸由未加B的120μm细化到30μm左右；当加入量超过0．01％时，晶粒有粗化的趋势；分析认为具有密排六方结构的高熔点化合物AlB2（Tm=980℃）可作为α-Mg的异质核心，大量异质结晶核心的存在是使α-Mg晶粒细化的主要原因。