A novel chain complex was synthesized and its crystal structure has been deter- mined by X-ray diffraction technique. It was found that the local coordination geometry around Cu(Ⅱ) is a distorted tetrahedron and C14H...A novel chain complex was synthesized and its crystal structure has been deter- mined by X-ray diffraction technique. It was found that the local coordination geometry around Cu(Ⅱ) is a distorted tetrahedron and C14H9CuNO3CH3OH is bridged by the carboxylate oxygen atom to form an infinite one-dimensional linear chain. The hydrogen bond exists between O(1) and solvate molecule O(4). The crystal belongs to monoclinic, space group P21 with a = 9.6650(19), b = 7.1280(14), c = 9.925(2) ? b = 98.39(3)? V = 676.4(2) 3, Z = 2, F(000) = 342 and m(MoK? = 1.629 mm-1 .展开更多
In this work thermal conduction in one-dimensional （1D） chains of anharmonic oscillators are studied using computer simulation. The temperature profile, heat flux and thermal conductivity are investigated for chain ...In this work thermal conduction in one-dimensional （1D） chains of anharmonic oscillators are studied using computer simulation. The temperature profile, heat flux and thermal conductivity are investigated for chain length N = 100, 200, 400, 800 and 1600. In the computer simulation anharmonicity is introduced due to Fermi-Pasta- U1am-β （FPU-β） model For substrate interaction, an onsite potential due to Frenkel-Kontorova （FK） model has been used. Numerical simulations demonstrate that temperature gradient scales behave as N-1 linearly with the relation J = 0.1765/N. For the thermal conductivity K, KN to N obey the linear relation of the type KN = 0.8805N. It is shown that thermal transport is dependent on phonon-phonon interaction as web as phonon-lattice interaction. The thermal conductivity increases linearly with increase inanharmonicity and predicts relation κ =0.133 ＋ 0.804β. It is also concluded that for higher value of the strength of the onsite potential system tends to a thermal insulator.展开更多
文摘A novel chain complex was synthesized and its crystal structure has been deter- mined by X-ray diffraction technique. It was found that the local coordination geometry around Cu(Ⅱ) is a distorted tetrahedron and C14H9CuNO3CH3OH is bridged by the carboxylate oxygen atom to form an infinite one-dimensional linear chain. The hydrogen bond exists between O(1) and solvate molecule O(4). The crystal belongs to monoclinic, space group P21 with a = 9.6650(19), b = 7.1280(14), c = 9.925(2) ? b = 98.39(3)? V = 676.4(2) 3, Z = 2, F(000) = 342 and m(MoK? = 1.629 mm-1 .
文摘In this work thermal conduction in one-dimensional （1D） chains of anharmonic oscillators are studied using computer simulation. The temperature profile, heat flux and thermal conductivity are investigated for chain length N = 100, 200, 400, 800 and 1600. In the computer simulation anharmonicity is introduced due to Fermi-Pasta- U1am-β （FPU-β） model For substrate interaction, an onsite potential due to Frenkel-Kontorova （FK） model has been used. Numerical simulations demonstrate that temperature gradient scales behave as N-1 linearly with the relation J = 0.1765/N. For the thermal conductivity K, KN to N obey the linear relation of the type KN = 0.8805N. It is shown that thermal transport is dependent on phonon-phonon interaction as web as phonon-lattice interaction. The thermal conductivity increases linearly with increase inanharmonicity and predicts relation κ =0.133 ＋ 0.804β. It is also concluded that for higher value of the strength of the onsite potential system tends to a thermal insulator.
