Superhydrophobicity: drying transition of confined water

Long-range hydrophobic interactions operating underwater are important in the mediation of many natural and synthetic phenomena, such as protein folding, adhesion and colloid stability. Here we show that rough hydrophobic surfaces can experience attractive forces over distances more than 30 times greater than any reported previously, owing to the spontaneous evaporation of the intervening, confined water. Our finding highlights the importance of surface roughness in the interaction of extended structures in water, which has so far been largely overlooked.     

低密度玻璃化液体中力学模量与脆性的关联研究

利用低密度玻璃化液体的径向分布函数,导出过冷液体脆性与玻璃化温度、体模量和剪切模量的比值及与柏松比之间简单明确的关系.此结论定性地与实验结果一致.并为各种玻璃化液体的研究,提供有效的途径.     

Dynamics of supercooled water in confined geometry

As with most liquids, it is possible to supercool water; this generally involves cooling the liquid below its melting temperature (avoiding crystallization) until it eventually forms a glass. The viscosity and related relaxation times (tau) of glass-forming liquids typically show non-Arrhenius temperature (T) dependencies. Liquids with highly non-Arrhenius behaviour in the supercooled region are termed 'fragile'. In contrast, liquids whose behaviour is close to the Arrhenius law (In tau infinity 1/T) are termed 'strong'. A unique 'fragile-strong' transition around 228 K has been proposed for supercooled water; however, experimental studies of bulk supercooled water in this temperature range are generally hampered because crystallization occurs. Here we use broad-band dielectric spectroscopy to study the relaxation dynamics of supercooled water in a wide temperature range, including the usually inaccessible temperature region. This is possible because the supercooled water is held within a layered vermiculite clay-the geometrical confinement and presence of intercalated sodium ions prevent most of the water from crystallizing. We find a relaxational process with an Arrhenius temperature dependence, consistent with the proposed strong nature of deeply supercooled bulk water. Because water that is less supercooled has been established as highly fragile, our results support the existence of a fragile-strong transition.     

Interaction between liquid water and hydroxide revealed by core-hole de-excitation

The hydroxide ion plays an important role in many chemical and biochemical processes in aqueous solution. But our molecular-level understanding of its unusual and fast transport in water, and of the solvation patterns that allow fast transport, is far from complete. One proposal seeks to explain the properties and behaviour of the hydroxide ion by essentially regarding it as a water molecule that is missing a proton, and by inferring transport mechanisms and hydration structures from those of the excess proton. A competing proposal invokes instead unique and interchanging hydroxide hydration complexes, particularly the hypercoordinated OH(-)(H(2)O)(4) species and tri-coordinated OH(-)(H(2)O)(3) that can form a transient hydrogen bond between the H atom of the OH(-) and a neighbouring water molecule. Here we report measurements of core-level photoelectron emission and intermolecular Coulombic decay for an aqueous hydroxide solution, which show that the hydrated hydroxide ion is capable of transiently donating a hydrogen bond to surrounding water molecules. In agreement with recent experimental studies of hydroxide solutions, our finding thus supports the notion that the hydration structure of the hydroxide ion cannot be inferred from that of the hydrated excess proton.     

Relationship between structural order and the anomalies of liquid water

In contrast to crystalline solids--for which a precise framework exists for describing structure--quantifying structural order in liquids and glasses has proved more difficult because even though such systems possess short-range order, they lack long-range crystalline order. Some progress has been made using model systems of hard spheres, but it remains difficult to describe accurately liquids such as water, where directional attractions (hydrogen bonds) combine with short-range repulsions to determine the relative orientation of neighbouring molecules as well as their instantaneous separation. This difficulty is particularly relevant when discussing the anomalous kinetic and thermodynamic properties of water, which have long been interpreted qualitatively in terms of underlying structural causes. Here we attempt to gain a quantitative understanding of these structure-property relationships through the study of translational and orientational order in a models of water. Using molecular dynamics simulations, we identify a structurally anomalous region--bounded by loci of maximum orientational order (at low densities) and minimum translational order (at high densities)--in which order decreases on compression, and where orientational and translational order are strongly coupled. This region encloses the entire range of temperatures and densities for which the anomalous diffusivity and thermal expansion coefficient of water are observed, and enables us to quantify the degree of structural order needed for these anomalies to occur. We also find that these structural, kinetic and thermodynamic anomalies constitute a cascade: they occur consecutively as the degree of order is increased.     

受限在纳米水环境空间中的甲烷分子

运用分子动力学模拟方法,研究了甲烷与水受限在碳纳米管中的一些性质.计算机模拟发现水分子和甲烷径向密度的非均匀分布.根据径向密度分布情况,将碳纳米管中的甲烷与水分层,分别计算了甲烷分子与水分子的扩散系数和平均氢键数.模拟结果表明:受限在碳纳米管内部中的甲烷趋向在管壁积聚,但当甲烷浓度较高时,发现在碳纳米管中央有部分甲烷分子积聚.     

界面张力法评价原油破乳剂的性能

基于原油乳状液的稳定性与油水之间的界面张力息息相关,提出了一种破乳剂的性能评价方法。该方法通过测定油水相之间的界面张力来评定多种原油破乳剂的用量及性能;同时,通过瓶试法考察了这几种破乳剂产品的脱水性能,实验结果与界面张力法一致。该方法适宜于破乳剂的初期筛选,可以快速、高效的筛选出一批性能比较优异的破乳剂。     

Magnetic and non-magnetic phases of a quantum spin liquid

A quantum spin-liquid phase is an intriguing possibility for a system of strongly interacting magnetic units in which the usual magnetically ordered ground state is avoided owing to strong quantum fluctuations. It was first predicted theoretically for a triangular-lattice model with antiferromagnetically coupled S = 1/2 spins. Recently, materials have become available showing persuasive experimental evidence for such a state. Although many studies show that the ideal triangular lattice of S = 1/2 Heisenberg spins actually orders magnetically into a three-sublattice, non-collinear 120° arrangement, quantum fluctuations significantly reduce the size of the ordered moment. This residual ordering can be completely suppressed when higher-order ring-exchange magnetic interactions are significant, as found in nearly metallic Mott insulators. The layered molecular system κ-(BEDT-TTF)(2)Cu(2)(CN)(3) is a Mott insulator with an almost isotropic, triangular magnetic lattice of spin-1/2 BEDT-TTF dimers that provides a prime example of a spin liquid formed in this way. Despite a high-temperature exchange coupling, J, of 250 K (ref. 6), no obvious signature of conventional magnetic ordering is seen down to 20 mK (refs 7, 8). Here we show, using muon spin rotation, that applying a small magnetic field to this system produces a quantum phase transition between the spin-liquid phase and an antiferromagnetic phase with a strongly suppressed moment. This can be described as Bose-Einstein condensation of spin excitations with an extremely small spin gap. At higher fields, a second transition is found that suggests a threshold for deconfinement of the spin excitations. Our studies reveal the low-temperature magnetic phase diagram and enable us to measure characteristic critical properties. We compare our results closely with current theoretical models, and this gives some further insight into the nature of the spin-liquid phase.     

洪湖地区浅层承压水动态模拟研究

洪湖地区长江深泓线标高一般在黄海基面5m以上,而承压含水层隔水顶板标高一般在9m以上,所以长江无疑已经切穿了承压含水层顶板,与其有着直接的水力联系。通过对洪湖地区水文地质条件调查,长江水位变化对浅层承压水动态影响强度、影响范围的分析,建立了一个模拟浅层承压水运动规律的动力学模型,该模型能较好的模拟出长江近岸地区浅层承压水动态规律。     

低密度低滤失气井压井液的体系研制

针对吉林松原和红岗低压区块,压力系数小于1,储层温度为50度以内,研究出低密度超低伤害水包油型气井压井液,以水为外相,0#柴油为内相,选用实验室研制的具有良好乳化能力的乳化剂和降滤失剂,确定了压井液的配方。实验结果表明,此气井压井液具有良好的低滤失性、稳定性,通过对气层岩心的渗透率实验可以得出此压井液对气层伤害极小特点的结论。     

Fragile-to-strong transition and polyamorphism in the energy landscape of liquid silica

Liquid silica is the archetypal glass former, and compounds based on silica are ubiquitous as natural and man-made amorphous materials. Liquid silica is also the extreme case of a 'strong' liquid, in that the variation of viscosity with temperature closely follows the Arrhenius law as the liquid is cooled toward its glass transition temperature. In contrast, most liquids are to some degree 'fragile', showing significantly faster increases in their viscosity as the glass transition temperature is approached. Recent studies have demonstrated the controlling influence of the potential energy hypersurface (or 'energy landscape') of the liquid on the transport properties near the glass transition. But the origin of strong liquid behaviour in terms of the energy landscape has not yet been resolved. Here we study the static and dynamic properties of liquid silica over a wide range of temperature and density using computer simulations. The results reveal a change in the energy landscape with decreasing temperature, which underlies a transition from a fragile liquid at high temperature to a strong liquid at low temperature. We also show that a specific heat anomaly is associated with this fragile-to-strong transition, and suggest that this anomaly is related to the polyamorphic behaviour of amorphous solid silica.     

深部承压水上煤层开采底板的破坏特征

淮南煤田潘谢新区A3煤层受底板承压水威胁,为研究其在深部开采条件下的底板破坏特征,根据井田水文工程地质条件,采用FLAC3D分析软件建立数值计算模型,模拟分析不同承压条件及开采进度时底板的破坏深度和应力重分布特征。结果表明:A3煤层底板的采动效应随开采步距增大发生规律性变化,底板破坏影响深度约16 m,应力重分布的峰值点在停采线前约11 m和开切眼后6~8 m处。煤层回采以后,采区四周发生剪切破坏,中部发生拉伸破坏,容易出现底臌。该研究为潘谢新区深部A组煤的安全开采和矿井水害防治提供了依据。     

超细水雾抑制受限空间轰燃有效性实验研究

抑制轰燃能有效降低火灾造成的人员伤亡与财产损失.通过搭建超细水雾抑制受限空间轰燃的小尺寸实验台,研究了超细水雾抑制轰燃的有效性及其影响因素.研究发现,超细水雾抑制轰燃的效果依赖于雾通量、施加时刻、施加位置等因素.在雾通量充足时,早期施加的抑制效果优于晚期施加,从受限空间底部施加的抑制效果强于从侧上方施加;雾通量不足时,超细水雾的强化燃烧功能将加速、加剧轰燃的发生.     

动载荷对Zr基非晶合金玻璃化转变及晶化过程影响

采用DMA研究了动态加载条件下Zr62Al8Ni13Cu17大块非晶合金的玻璃化转变和晶化过程，并与无外载荷时相比较，结果表明外加动载荷会缩短晶化孕育期，促进晶化。此外，通过TEM观察加载大小及频率对晶相的影响，发现在一定范围内降低加载频率会导致模量显著下降并促进非晶晶化，加载频率及载荷的大小影响析出晶粒的形状及尺寸。     

Observation of shear-induced nematic-isotropic transition in side-chain liquid crystal polymers

Flow-induced phase transitions are a fundamental (but poorly understood) property of non-equilibrium systems, and are also of practical importance for tuning the processing conditions for plastics, petroleum products, and other related materials. Recognition that polymers may exhibit liquid crystal properties has led to the discovery of the first tailored side-chain liquid crystal polymers (SCLCPs), which are formed by inserting a spacer between the main polymer chain and the lateral mesogen liquid-crystalline graftings. Subsequent research has sought to understand the nature of the coupling between the main polymer chain and the mesogens, with a view to obtaining better control of the properties of these tailored structures. We show here that the parallel or perpendicular orientation of the mesogens with respect to the main chain can be reversed by the application of an external field produced by a shear flow, demonstrating the existence of an isotropic nematic phase transition in SCLCPs. Such a transition, which was theoretically predicted for low-molecular-weight liquid crystals but never observed, is shown to be a general property of SCLCPs too. We expect that these SCLCPs will prove to be good candidate systems for the experimental study of these non-equilibrium phenomena.     

A superconductor to superfluid phase transition in liquid metallic hydrogen

Although hydrogen is the simplest of atoms, it does not form the simplest of solids or liquids. Quantum effects in these phases are considerable (a consequence of the light proton mass) and they have a demonstrable and often puzzling influence on many physical properties, including spatial order. To date, the structure of dense hydrogen remains experimentally elusive. Recent studies of the melting curve of hydrogen indicate that at high (but experimentally accessible) pressures, compressed hydrogen will adopt a liquid state, even at low temperatures. In reaching this phase, hydrogen is also projected to pass through an insulator-to-metal transition. This raises the possibility of new state of matter: a near ground-state liquid metal, and its ordered states in the quantum domain. Ordered quantum fluids are traditionally categorized as superconductors or superfluids; these respective systems feature dissipationless electrical currents or mass flow. Here we report a topological analysis of the projected phase of liquid metallic hydrogen, finding that it may represent a new type of ordered quantum fluid. Specifically, we show that liquid metallic hydrogen cannot be categorized exclusively as a superconductor or superfluid. We predict that, in the presence of a magnetic field, liquid metallic hydrogen will exhibit several phase transitions to ordered states, ranging from superconductors to superfluids.     

轴向电场对纳米管道中溶液离子径向分布的影响

用分子动力学模拟的方法,研究了轴向外加电场强度对圆柱形纳米管道中NaCI溶液离子径向密度分布的影响.仿真结果表明,纳米管道两端的外加电场强度增大时,系统的瞬时动能增加.离子获得较大的径向动能就可以克服所在位置势能束缚,运动到使原来浓度峰值减小的径向位置,以保证系统的自由能减小,从而导致离子径向浓度峰值变小.壁面电荷密度越小,离子受到壁面电荷的束缚就越小,这一现象越明显.由于离子的径向分布对电渗流有直接影响,因此这一仿真对电渗流的理论研究和利用外电场实现离子分离的纳流体器件的设计具有重要的参考价值.     

承压水地层管廊基坑开挖变形特征及抗突涌稳定性分析

管廊穿越富水软弱地层时,对其安全建设产生了不容忽视的影响。为了研究富水地层管廊基坑开挖变形的稳定性,依托济南新东站开源路富水地层管廊基坑工程,分析影响基坑开挖变形的关键因素,提出基坑周边土体变形破坏影响因素的敏感性评价指标,建立基坑底板抗突涌稳定性系数及隔水层临界厚度公式。结果表明:随开挖深度和承压水头增加,水平位移具有分层现象,深层呈“月牙形”,最大变形位于基坑底部两侧下部,呈现向桩后和基坑中心靠拢趋势;地表沉降呈凹槽形,从基坑边向两侧呈先增大后减小趋势,而隆起变形越靠近基坑中心越大,施工中应注意基坑底部两侧向中间过度时出现的较大隆起值。基坑周围土体变形破坏影响因素指标敏感性大小依次为开挖深度、加固厚度和承压水头,施工时要适当采取降水措施,预留足够的隔水层厚度,加固坑底以增强其稳定性,更要适当控制基坑开挖深度;与传统法相比,考虑土体抗剪强度所计算的基坑抗突涌稳定性系数较大,隔水层临界厚度较小,与现场情况更加吻合。     

半模基片集成波导和微带转换的分析

为实现基片集成波导结构的小型化,沿场分布对称面将其截成两半,利用等效磁壁限制场型变化,提出了半模基片集成波导结构.在此基础上,研究了半模基片集成波导与微带线的转换问题,并设计Ku波段的半模基片基层波导-微带线转换结构.仿真结果表明,在所设计的频段内,插损优于0.5 dB,反射损耗小于-15 dB,实测结果与仿真结果基本吻合.实验表明,半模基片集成波导能够保持基片集成波导的传播特性.     

地铁车站不同工况减压降水对环境的影响

为了研究不同工况下基坑降水对周边地下水位变化和地表沉降的影响,采用"现场抽水试验—水文地质参数反演—数值模拟计算"的一体化手段,运用MIDAS/GTS数值分析软件,对苏州地铁4号线某车站基坑降水建立了三维有限元分析模型,模拟计算不同的降水方案设计下所产生的基坑外地下水位变化和地表沉降,并对其进行对比分析。结果表明,不同的降水施工工况对周围环境的影响大小不一,在进行降水设计时需对不同降水工况设计下的环境影响进行预测和评估,使降水对周围环境影响最小,以实现降水方案设计的最优化。