Improving the gas barrier,mechanical and thermal properties of poly(vinyl alcohol) with molybdenum disulfide nanosheets

New multifunctional materials with both high structural and gas barrier performances are important for a range of applications. Herein we present a one‐step mechanochemical process to prepare molybdenum disulfide (MoS₂) nanosheets with hydroxy functional groups that can simultaneously improve mechanical strength, thermal conductivity, and gas permittivity of a polymer composite. By homogeneously incorporating these functionalized MoS₂ nanosheets at low loading of less than 1 vol %, a poly(vinyl alcohol) (PVA) polymer exhibits elongation at break of 154%, toughness of 82 MJ/m³, and in‐plane thermal conductivity of 2.31 W/m K. Furthermore, this composite exhibits significant gas barrier performance, reducing the permeability of helium by 95%. Under fire condition, the MoS₂ nanosheets form thermally stable char, thus enhancing the material's resistance to fire. Hydrogen bonding has been identified as the main interaction mechanism between the nanofillers and the polymer matrix. The present results suggest that the PVA composite reinforced with 2D layered nanomaterial offers great potentials in packaging and fire retardant applications. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019 , 57, 406–414     

The effective geometry Monte Carlo algorithm: Applications to molecular communication

In this work, we address the systematic biases and random errors stemming from finite step sizes encountered in diffusion simulations. We introduce the Effective Geometry Monte Carlo (EG-MC) simulation algorithm which modifies the geometry of the receiver. We motivate our approach in a 1D toy model and then apply our findings to a spherical absorbing receiver in a 3D unbounded environment. We show that with minimal computational cost the impulse response of this receiver can be precisely simulated using EG-MC. Afterwards, we demonstrate the accuracy of our simulations and give tight constraints on the single free parameter in EG-MC. Finally, we comment on the range of applicability of our results. While we present the EG-MC algorithm for the specific case of molecular diffusion, we believe that analogous methods with effective geometry manipulations can be utilized to approach a variety of problems in other branches of physics such as condensed matter physics and cosmological large scale structure simulations.     

Intrinsically microporous polyimides containing spirobisindane and phenazine units: Synthesis,characterization and gas permeation properties

A new diamine containing spirobisindane and phenazine units, namely, 3,3,3′,3′‐tetramethyl‐2,2′,3,3′‐tetrahydro‐1,1′‐spirobi[cyclopenta[b]phenazine]‐7,7′‐diamine (TTSBIDA) was synthesized starting from commercially available 5,5′,6,6′‐tetrahydroxy‐3,3,3′,3′‐tetramethyl‐1,1′‐spirobisindane (TTSBI). TTSBI was oxidized to 3,3,3′,3′‐tetramethyl‐2,2′,3,3′‐tetrahydro‐1,1′‐spirobi[indene]‐5,5′,6,6′‐tetraone (TTSBIQ) which was subsequently condensed with 4‐nitro‐1,2‐phenylenediamine to obtain 3,3,3′,3′‐tetramethyl‐7,7′‐dinitro‐2,2′,3,3′‐tetrahydro‐1,1′‐spirobi[cyclopenta[b]phenazine] (TTSBIDN). TTSBIDN was converted into TTSBIDA by reduction of the nitro groups using hydrazine hydrate in the presence of Pd/C as the catalyst. A series of new polyimides of intrinsic microporosity (PIM‐PIs) were synthesized by polycondensation of TTSBIDA with commercially available aromatic dianhydrides. PIM‐PIs exhibited amorphous nature, high thermal stability (T₁₀ > 480 °C) and intrinsic microporosity (BET surface area = 59–289 m²/g). The gas permeation characteristics of films of selected PIM‐PIs were evaluated and they exhibited appreciable gas permeability as well as high selectivity. The CO₂ and O₂ permeability of PIM‐PIs were in the range 185.4–39.2 and 30.6–6.2 Barrer, respectively. Notably, polyimide derived from TTSBIDA and 4,4′‐(hexafluoroisopropylidene)diphthalic anhydride (PIM‐PI‐6FDA) exhibited high CO₂ and O₂ permeability of 185.4 and 30.6 Barrer with CO₂/CH₄ and O₂/N₂ selectivity of 43.1 and 5.1, respectively. The data of PIM‐PI‐6FDA for CO₂/CH₄ and O₂/N₂ gas pairs were located near Robeson upper bound. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018 , 56, 766–775     

Annealing effects on the microwave permittivity and permeability properties of Fe79Si16B5 microwires and their micowave absorption performances

This paper reports that amorphous magnetic microwires(Fe79Si16B5) have been fabricated by a melt-extraction technique and have been annealed at 600°C and 750°C respectively.Differential scanning calorimeter measurements show that nanocrystalline magnetic phase(α-Fe) has been formed in the amorphous matrix when it was annealed at 600°C.Hard magnetic phase(Fe2B) was formed in the microwires annealed at 750°C,which increases the magnetic coercivity.Microwave permittivity and permeability are found to be dependent on the microstructures.The permittivity fitting results show that multi Lorentzian dispersion processes exist.For microwires annealed at 750°C,their resonance peaks due to the domain wall movements and natural resonance are found higher than those of microwires annealed at 600°C.The microwave absorption performance of microwires annealed at 600°C is found better than microwires annealed at 750°C.     

纳米悬浮液的有效导热系数

文中以有效介质近似理论为基础,考虑了纳米颗粒在基液中强烈的B rown ian运动对强化传热的作用和纳米颗粒的表面吸附液体层、纳米颗粒的粒径和体积分数对纳米悬浮液有效导热系数的影响,建立了预测纳米悬浮液有效导热系数的模型,通过对纳米CuO-去离子水溶液的验证,发现该模型比几种经典模型具有更高的精度,因此具有一定的参考价值。     

碳纳米管阵列水渗透性质的研究

碳纳米管阵列组成的碳纳米管分子膜在生物学分子器件等方面有重要应用. 本文利用分子动力学方法计算研究水分子对(11, 11)碳纳米管阵列的渗透过程. 结果发现, 只有当阵列间隙面积大于57.91 Ų时, 水分子才能进入阵列间隙中, 并揭示了碳管内部、阵列间隙内水分子结构随相邻碳管间距变化的演化趋势以及管内外水分子电偶极矩的分布特性.     

利用井中偶极弯曲波反演渗透率的影响因素及灵敏度分析

本文以各向同性饱和流体孔隙介质充液井孔中声场传播理论为基础,系统考察了影响偶极弯曲波特征的主要因素,分析了快慢地层条件下弯曲波衰减和速度对不同参数的敏感度,对比结果表明,弯曲波的速度基本不受地层渗透率的影响,其衰减对渗透率的敏感性要远高于速度。弯曲波中心频率会随着波的衰减而发生偏移,说明利用弯曲波衰减和频移特征联合反演地层渗透率是可行的。通过对比快慢地层下的弯曲波衰减和速度灵敏度曲线,发现在慢速地层中反演渗透率的结果要好于快速地层。同时,本文也指出在低孔低渗储层中,还可以考虑利用弯曲波衰减识别气层。     

Behavior of a PZT ring under non-uniform mechanical stress

Ring-shaped lead zirconate titanate (PZT) piezoelectric vibrators were subjected to non-uniform mechanical stress applied by bolt clamping. The effect of mechanical stress on the effective electromechanical coupling factor (k_eff) and mechanical quality factor (Q_m) of the thickness and wall thickness modes was studied by an equivalent electric circuit analysis. The initiation and propagation of cracks under mechanical stress were also discussed based on the resonance method and the indentation technique. k_eff for both the thickness and wall thickness modes decreased with increase in mechanical stress due to de-poling of the PZT. Q_m of the thickness mode dropped sharply with increase in mechanical stress while Q_m of the wall thickness mode remained almost unchange. Existence of microcracks in a PZT vibrator can be detected by the occurrence of spurious vibrations at the wall thickness mode in the electrical impedance vs. frequency spectra.     

Investigating directed cortical interactions in time-resolved fMRI data using vector autoregressive modeling and Granger causality mapping

We present a framework aimed to reveal directed interactions of activated brain areas using time-resolved fMRI and vector autoregressive (VAR) modeling in the context of Granger causality. After describing the underlying mathematical concepts, we present simulations helping to characterize the conditions under which VAR modeling and Granger causality can reveal directed interactions from fluctuations in BOLD-like signal time courses. We apply the proposed approach to a dynamic sensorimotor mapping paradigm. In an event-related fMRI experiment, subjects performed a visuomotor mapping task for which the mapping of two stimuli (“faces” vs “houses”) to two responses (“left” or “right”) alternated periodically between the two possible mappings. Besides expected activity in sensory and motor areas, a fronto-parietal network was found to be active during presentation of a cue indicating a change in the stimulus-response (S-R) mapping. The observed network includes the superior parietal lobule and premotor areas. These areas might be involved in setting up and maintaining stimulus-response associations. The Granger causality analysis revealed a directed influence exerted by the left lateral prefrontal cortex and premotor areas on the left posterior parietal cortex.     

Particle size distribution, magnetic permeability and dc conductivity of nano-structured and bulk LiNiZn-ferrite samples

Nanoparticles of Li_0.1(Ni_1−xZn_x)_0.8Fe_2.1O₄ (x=0-1.0) were prepared by a chemical co-precipitation method. A part of the precipitated powders was sintered at 1473 K for 2 h to obtain bulk samples via increasing the particle sizes. The particle size distribution, dc conductivity and magnetic permeability were investigated for the nano-structured samples and their bulk counterparts. The permeability as a function of temperature revealed the size effect of nano-structure in agreement with the literature. In some of the samples the permeability was almost constant over a considerable range of temperature, which may be useful in practical applications that require stability. Moreover, the nano-size structure caused a significant decrease in dc conductivity values.