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101.
Rui Hong Yi-Xin Jiang Jie Leng Ming-Jin Liu Kai-Zhi Shen Qiang Fu Jie Zhang 《高分子科学》2021,39(6):756-769
General-purpose plastics with high strength and toughness have been in great demand for structural engineering applications. To achieve the reinforcement and broaden the application scope of high-density polyethylene(HDPE), multi-flow vibration injection molding(MFVIM) and ultrahigh molecular weight polyethylene(UHMWPE) are synergistically employed in this work. Herein, the MFVIM has better shear layer control ability and higher fabrication advantage for complex parts than other analogous novel injection molding technologies reported.The reinforcing effect of various filling times and UHMWPE contents as well as the corresponding microstructure evolution are investigated.When 5 wt% UHMWPE is added, MFVIM process with six flow times thickens the shear layer to the whole thickness. The tensile strength and modulus increase to 2.14 and 1.39 times, respectively, compared to neat HDPE on the premise of remaining 70% impact strength. Structural characterizations indicate that the enhancement is attributed to the improvement of shish-kebab content and lamellae compactness, as well as related to the corresponding size distributions of undissolved UHMWPE particles. This novel injection molding technology with great industrial prospects provides a facile and effective strategy to broaden the engineering applications of HDPE materials. Besides, excessive UHMWPE may impair the synergistic enhancement effect, which is also reasonably explained. 相似文献
102.
用分子动力学模拟方法研究了五种不同冷却速率对Lennard-Jones体系凝固过程中结构与动力学性质的影响。采用两种不同的方法来确定玻璃转变温度Tg,并且对结晶温度Tc、径向分布函数g(r)、均方位移函数MSD与扩散系数D、平均配位数进行比较分析。结果表明:冷却速率影响Lennard-Jones体系凝固过程中的结构。当使用足够高的冷却速率冷却时,体系发生玻璃化转变,而且冷却速率越快,玻璃转变温度越高;当冷却速率较小时,体系形成晶体,而且冷却速率越慢,结晶温度越高,结晶程度也越高。同时发现,冷却速率对扩散系数和平均配位数也有很大影响,二者在体系发生玻璃转变时都有一个缓变的过程,表明了过冷液相区的存在。 相似文献
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106.
By using first-principles calculations, we have systematically investigated the structural and electronic properties of an infinite linear monatomic Cu chain with an adsorbed CO molecule. We find that the bridge geometry is energeticabsally favored not only when the Cu–Cu bond below the molecule is unstretched, but also for a wide range of dCu–Cu up to about 4.20 Å, while the substitutional geometry is favored only in the hyperstretched situation dCu–Cu>4.80 Å. Charge density differences point out the electron transfer is from the Cu atoms to the adsorbed CO molecule. The binding mechanism of CO to Cu chain can be described by the Blyholder’s model, in terms of σ-donation of electron density from the nonbonding CO-5σ orbital into empty metal orbitals and π-backdonation from the occupied metal d orbitals to empty CO-2π⁎ orbital. The donation/backdonation process leads to the formation of bonding/antibonding pairs, 5σb/5σa and 2πb⁎/2πa⁎, with the 5σa lying above Ef and the 2πb⁎ below Ef. 相似文献
107.
We explore the electronic structures and magnetic properties in Cu-doped MX2 (=MoS2, MoSe2, MoTe2, and WS2) based on density functional theory. A Cu dopant leads to a net moment of 5.0 or 1.0 μB in MX2, which mainly depend on the size of crystal-field splitting relative to that of the spin splitting. No magnetism is observed in Cu-doped MoTe2. The local distortion around the Cu atom reduces the total magnetic moment in two-Cu-doped MX2. The magnetic coupling between the nearest neighboring Cu atoms is ferromagnetic for all the cases, but they demonstrate various magnetic ground states with the increasing distance between Cu atoms: the Cu-doped MoS2 and WS2 exhibit anti-ferromagnetic and nonmagnetic ground state, respectively. A long-range ferromagnetic or ferrimagnetic coupling is attributed to double-exchange interaction in Cu-doped MoSe2. Half-metallic ferromagnetism with Curie temperature above room temperature in Cu-doped MoSe2 provides a useful guidance to engineer the magnetic properties of MoSe2 in experiments. 相似文献
108.
《Current Applied Physics》2015,15(5):622-631
Lithium (Li) (0–5 wt%) doped V2O5 thin films were spray deposited at 450 °C onto ITO substrates. Structural analysis using X-ray diffraction and Raman spectroscopy revealed orthorhombic phase of the films. In addition to the V2O5 phase, presence of VO2 peaks due to high deposition temperature is also evident from structural and optical characterization. The non-stoichiometric nature of the films due to loss of the terminal O atom was confirmed from Raman spectroscopy. The direct band gap, indirect bandgap, and phonon energies were also calculated from optical studies. Different charge states of vanadium ions present in the film were identified from X-ray photoelectron spectroscopy study. Results from cyclic voltammetry experiments reflected significant differences between the undoped and Li doped V2O5 samples. Transport properties by Hall-effect measured at room temperature indicated significant increase in conductivity, carrier concentration and mobility of V2O5 thin films on doping with Li. A Dye Sensitized Solar Cell (DSSC) was fabricated using mobility enhanced 5 wt% Li doped V2O5 film as photoanode and its efficiency was found to be 2.7%. A simple electrochromic cell is fabricated using undoped V2O5 thin film to demonstrate the colour change. 相似文献
109.
Here we described the design and synthesis of a discrete 3D amphiphilic metallacage 4,in which the tetragonal prismatic frameworks act as the hydrophobic cores and the poly(ethylene glycol)(PEG)chains as the hydrophilic tails.The structure of 4 was characterized by 1H NMR,31P NMR and electrospray ionization time-of-flight mass spectrometry(ESI-TOF-MS).Notably,4 with its Iong PEG tails was subsequently ordered into micelles at a low concentration(1.20×10^-6 mol/L)in water.As the concentration and cultivation time increased,the micelles can further self-assembly into nanofibers and nanoribbons.Considering the dynamic property of the coordination bond,these structures show reversible transformation under external stimuli. 相似文献
110.
Two novel rhodamine-based polystyrene solid-phase fluorescence sensors PS-PA-I and PS-PA-II with different lengths of polyamines were synthesized for Hg(II) determination. The detection mechanism involving the Hg(II) chelation-induced spirocycle open of rhodamine was proposed with the aid of theoretical calculation. The stronger N-Hg bond and the longer polyamine chain in PS-PA-II led to a better selectivity, much higher and more quickly fluorescence response to Hg(II). 相似文献