石英玻璃热膨胀性能的高温分子动力学研究

采用基于第一性原理的COMPASS力场对石英玻璃的热膨胀性能作了分子动力学研究。结果分析表明Si-O键长与Si-O-Si键角是导致结构随温度变化的主要因素，两者的变化趋势和变化速率决定了材料热膨胀的不规则性。此外，还根据四面体体积随温度的变化粗略估算了四面体间隙的变化，对负热膨胀现象做了进一步讨论。     

Effects of nanosized metallic palladium loading and calcination on characteristics of composite silica

1　INTRODUCTIONThemotivationfortheresearchoncolloidalmet alparticlesstemmedfromtheiruniqueelectro opticalandelectrochemicalproperties[13] .Duringthe pastfew years,aflurryofactivityhasbeendirectedto wardsthepreparationofnanosizedmetallicparticlesduetolargeenhancementinthephysicalpropertiesofnanostructuredcompositescomparedtothebulk[4 6 ] .Therefore ,size dependentchangesinband gapener gy ,excited stateelectronicbehaviorandopticalspec traaregenerateddrasticallyfromthoseknownforthemolecularan…     

Effect of alloy grain size and silicon content on the oxidation of austenitic Fe-Cr-Ni-Mn-Si alloys in pure O2

Austenitic Fe-18Cr-20Ni-1.5Mn alloys containing 0, 0.6, and 1.5 wt.% Si were produced both by conventional and rapid solidification processing. The isothermal and cyclic oxidation resistance of the alloys were studied at 900°C in pure O₂ to elucidate the role of alloy microstructure and Si content on oxidation properties. The conventionally-processed, large-grained alloy that contained no silicon formed Fe-rich nodules during oxidation. The nodule formation was effectively eliminated by either reducing the alloy grain size by rapid solidification or by adding Si to the alloy. The lowest weight gains were achieved when a continuous silica layer formed between the alloy and the external chromia scale. The formation of the continuous silica layer required a ombination of fine alloy grain size and high Si content. The presence of S in the alloy was found to be detrimental to oxide scale adherence when the silica layer was continuous.     

Optical Design of Silica Aerogels for On-Demand Thermal Management

Silica aerogels, a type of porous material featuring extra low density and thermal conductivity, have drawn increasing interest from both academia and industry owing to their excellent thermal insulation performance. However, thermal insulation is always the single consideration when silica aerogels are used for thermal management. In this study, the on-demand thermal management (ODTM) of silica aerogel with either passive thermal insulation, passive heating, or passive cooling in different environments is revealed. The ODTM behavior of silica aerogels can be simply fulfilled through their optical property variations such as solar light transparency and infrared emissivity, which are controllable via the microstructures of the building blocks and surface composition design. Robust solar heating of 25 °C higher than the ambient in the daytime and sub-ambient cooling of 7 °C at night is achieved with the traditional transparent silica aerogel. Interestingly, sub-ambient cooling of 5 °C in the daytime and a warmer state on cold nights is achieved by modifying its solar transmittance and infrared emissivity. This study guides a comprehensive understanding of the thermal management behavior of silica aerogels and leads to ODTM applications of silica aerogels by tailoring their optical and thermal conductivity properties.     

Fast Li+ Transport via Silica Network-Driven Nanochannels in Ionomer-in-Framework for Lithium Metal Batteries

For the development of all-solid-state lithium metal batteries (LMBs), a high-porous silica aerogel (SA)-reinforced single-Li⁺ conducting nanocomposite polymer electrolyte (NPE) is prepared via two-step selective functionalization. The mesoporous SA is introduced as a mechanical framework for NPE as well as a channel for fast lithium cation migration. Two types of monomers containing weak-binding imide anions and Li⁺ cations are synthesized and used to prepare NPEs, where these monomers are grafted in SA to produce SA-based NPEs (SANPEs) as ionomer-in-framework. This hybrid SANPE exhibits high ionic conductivities (≈10⁻³ S cm⁻¹), high modulus (≈10⁵ Pa), high lithium transference number (0.84), and wide electrochemical window (>4.8 V). The resultant SANPE in the lithium symmetric cell possesses long-term cyclic stability without short-circuiting over 800 h under 0.2 mA cm⁻². Furthermore, the LiFePO₄|SANPE|Li solid-state batteries present a high discharge capacity of 167 mAh g⁻¹ at 0.1 C, good rate capability up to 1 C, wide operating temperatures (from −10 to 40 °C), and a stable cycling performance with 97% capacity retention and 100% coulombic efficiency after 75 cycles at 1 C and 25 °C. The SANPE demonstrates a new design principle for solid-state electrolytes, allowing for a perfect complex between inorganic silica and organic polymer, for high-energy-density LMBs.     

Freely Tailorable Yolk-Shell Encapsulation: Versatile Applications in Ultralow-k Dielectric,Drug Delivery Systems,and Catalysts

Herein, a facile, controllable, and versatile method is reported to prepare monodisperse yolk-shell and yolk-multishell silica nanoparticles (NPs) with mesoporous shells by a novel selective etching strategy. The mechanism of selective etching based on fluoride-silica chemistry is investigated in detail and thus provides a fundamentally novel principle for the fabrication of yolk-shell NPs. Specifically, this unprecedented and versatile synthesis strategy can be used to encapsulate essentially any silica-based, carbon-based, metal, metal oxide, or other possible NPs. Noteworthy is that most of the yolk-shell mesoporous silica (mSiO₂) NPs are prepared for the first time. To demonstrate the major structural and compositional advantages of the designed yolk-shell NPs, their applications in the fields of ultralow-dielectric constant (k) materials, drug delivery systems, and catalysts were explored. In detail, the lowest k value of the prepared yolk-shellordered mesoporous silica@mSiO₂/fluorinated polybenzoxazole composite films is 2.02; The obtained yolk-shell mSiO₂/C@mSiO₂/C NPs possess high hydrophilicity and pH-responsive sensitivity; The conversion of the catalytic reaction of the designed magnetic yolk-shell hollow Fe₃O₄@SiO₂/Au@mSiO₂ NPs at 20 min is 97% with a high conversion rate (92%) and recyclability even after 10 reuses. This innovative work lays a solid foundation for freely tailorable yolk-shell encapsulation and will greatly stimulate more efforts devoted to relevant research and development.     

An overview on microwave processing of material: A special emphasis on glass melting

Material processing adopting microwave heating has emerged as an alternative tool owing to faster processing, a cleaner environment, and several other advantages. This review provides a summary of recent reports of microwave synthesis of materials. This study reviews the use of microwave energy for application in several material processing technologies apart from food processing. A special emphasis has been made in the processing of glass adopting microwave energy. Melting of glass comprising SiO₂, P₂O₅, B₂O₃ as the main building block has been discussed. It has been revealed that silica, a microwave transparent material as reported earlier, can be heated under microwave heating directly. Microwave absorption of raw materials and different glass system has been discussed. Dielectric properties, particularly loss tangent or loss factor, are presented for some glass composition. Less evaporation of ingredient and low contamination from the crucible wall are noticed during glass melting using microwave heating. Enhanced iron redox ratio (Fe⁺²/∑Fe) in microwave processing may be considered an advantage in the preparation of heat absorbing filter glass. Small-scale glass melting using the microwave heating has a significant impact on energy and time saving. However, the challenges associated with the upscaling glass melting with microwave heating and future scope have been talked about.     

Simultaneous Imaging of Endogenous Survivin mRNA and On‐Demand Drug Release in Live Cells by Using a Mesoporous Silica Nanoquencher

The design of multifunctional drug delivery systems capable of simultaneous target detection, imaging, and therapeutics in live mammalian cells is critical for biomedical research. In this study, by using mesoporous silica nanoparticles (MSNs) chemically modified with a small‐molecule dark quencher, followed by sequential drug encapsulation, MSN capping with a dye‐labeled antisense oligonucleotide, and bioorthogonal surface modification with cell‐penetrating poly(disulfide)s, the authors have successfully developed the first mesoporous silica nanoquencher (qMSN), characterized by high drug‐loading and endocytosis‐independent cell uptake, which is able to quantitatively image endogenous survivin mRNA and release the loaded drug in a manner that depends on the survivin expression level in tumor cells. The authors further show that this novel drug delivery system may be used to minimize potential cytotoxicity encountered by many existing small‐molecule drugs in cancer therapy.     

静电纺丝法制备超疏水氟硅改性纳米SiO_2/PET共混膜

利用1H,1H,2H,2H-全氟辛基三氯硅烷对SiO_2纳米粒子进行表面改性,制备得到氟硅改性SiO_2纳米粒子(M-SiO_2),并将其与聚对苯二甲酸乙二酯(PET)共混后溶于六氟异丙醇(HFIP)溶剂中进行静电纺丝。采用接触角测量仪、扫描电镜和X射线光电子能谱研究了M-SiO_2/PET电纺膜的疏水性能、表面形貌以及化学组成。结果表明,静电纺丝法制备的M-SiO_2/PET共混电纺膜对水的接触角可高达155.2°,并且对水的滞后角仅为3.4°,即具有超疏水性能。