In this paper, the synthesis process of TiC+TiN multiple films on super-low-carbon stainless steels is reported. The TiC layer is coated as the first layer in the multiple film, the change of growth rate of the film o...In this paper, the synthesis process of TiC+TiN multiple films on super-low-carbon stainless steels is reported. The TiC layer is coated as the first layer in the multiple film, the change of growth rate of the film on the 316L Stainless steel is not same as the one on carbides substrates, while the mole ratio of CRi to TiCLi (mCH/TiCl4) is changed from 1.2 to 2.0. The Ti [C, N], as a kind of inter-layer between TiC and TiN layers, is helpful to improve the adhesion between the TiC and TiN layer. The cooling rate greatly influences the quality of the adhesion between the TiC+TiN film and substrates.展开更多
We develop a kind of neutron detector, which consists of a polyethylene thin film and two PIN semicon- ductors connected face-to-face. The detector is insensitive to γ-rays. Its sensitivity to neutron has been calcul...We develop a kind of neutron detector, which consists of a polyethylene thin film and two PIN semicon- ductors connected face-to-face. The detector is insensitive to γ-rays. Its sensitivity to neutron has been calculated with MCNP program and calibrated by experiments, and the results indicate that the neutron sensitivity of the compensa- tion detector will vary with polyethylene converter. The compensation PIN detector can be employed to measure pulse neutron in neutron and gamma mixture radiation field.展开更多
TCTMP ( 1,4,8,11-tetraaza cyclotetradecyl- 1,4,8,11-tetramethylene phosphonate) was synthesized and coupled with 188Re. The 188Re-TCTMP's coupling condition, stability and bio-distribution in mice were investigate...TCTMP ( 1,4,8,11-tetraaza cyclotetradecyl- 1,4,8,11-tetramethylene phosphonate) was synthesized and coupled with 188Re. The 188Re-TCTMP's coupling condition, stability and bio-distribution in mice were investigated.The results showed that satisfactory yield of 188Re could be obtained under the conditions of media pH=2.0, 0.8～1.6 mg of SnCl2 and 50 mg of ligand. 188Re-TCTMP was stable (complexation yield ＞95%) in 8 d without protection of N2. The result of bio-distribution indicated that 188Re-TCTMP had a strong affinity to skeleton and very low non-target tissue's uptake, and the amount of 188Re-TCTMP in blood was (0.06±0.02)%ID/g 6 h after injection,whereas the concentration of 188Re-HEDP (1-hydroxy-ethylidene diphosphonate) in blood was (0.28±0.05)%ID/g 6 hafter injection. Compared with 188Re-HEDP, 188Re-TCTMP exhibits better potential for the treatment of metastases.展开更多
After molecular structure of UF6 is optimized,molecular vibrational frequencies are calculated by LDA and GGA approaches. Some thermodynamic parameters are calculated based on the principle of statistic mechanics. Var...After molecular structure of UF6 is optimized,molecular vibrational frequencies are calculated by LDA and GGA approaches. Some thermodynamic parameters are calculated based on the principle of statistic mechanics. Various functionals such as PWC,VWN,VWNPB,PW91,BP,PBE,RPBE,BOP with various basis sets such as MIN,DN,DND and DNP are used. The small basis sets,MIN and DN,can arrive at self-consistency. DMol3 can save more CPU’s time and resource than all electron calculations including Hartree-Fock and DFT with Gaussian code,so it should be introduced in some research,especially on compounds of lanthanide and actinide. However,comparing with the results from classical DFT,the new calculation may accompany a rather large error.展开更多
In this paper, by applying a group of specific orthogonal wavelet packet to Eykho?algorithm, a new impulse response identification algorithm based on varying scale orthogonal WPTis provided. In comparison to Eykho? al...In this paper, by applying a group of specific orthogonal wavelet packet to Eykho?algorithm, a new impulse response identification algorithm based on varying scale orthogonal WPTis provided. In comparison to Eykho? algorithm, the new algorithm has better practicability andwider application range. Simulation results show that the proposed impulse response identificationalgorithm can be applied to both deterministic and random systems, and is of higher identificationprecision, stronger anti-noise interference ability and better system dynamic tracking property.展开更多
Infrared spectrum and NMR chemical shifts of Si (CH3)2O double free radical were calculatedemploying density functional theory(DFT) with the basis sets 6 - 311 + G(2d, p). Excited states, dipole momentand energy of Si...Infrared spectrum and NMR chemical shifts of Si (CH3)2O double free radical were calculatedemploying density functional theory(DFT) with the basis sets 6 - 311 + G(2d, p). Excited states, dipole momentand energy of Si(CH3 )2O double free radical were also calculated using time dependent density function theory(TD-DFT) with the same basis sets. It is found that the external electric field along the X,Y and Z axis affectdifferently on the excited states and other properties of Si(CH3)2O double free radical.展开更多
Tin-117m(t1/2 14d; γ 159keV, 86%) is an ideal tracer for studyingbiological behavior of tin compounds as well as for developing clinically-useful radio-pharmaceuticals. It had been reported that Sn-117m[4+] DTPA has ...Tin-117m(t1/2 14d; γ 159keV, 86%) is an ideal tracer for studyingbiological behavior of tin compounds as well as for developing clinically-useful radio-pharmaceuticals. It had been reported that Sn-117m[4+] DTPA has unexpectedlyhigh bone uptake and bone-to-blood ratio, and is potentially useful as an agent forskeletal scintigraphy and radiotherapy of bone tumors. In this work, HEDTMP [N-(2-hydroxyethyl) ethlenediamine-1,1,2-tri (methylene phosphonic acid)] was synthesized.Let it form complex with 117mSn. The formation conditions, stability and distributioncoefficient between oil and water of the complex were investigated.展开更多
According to the experimental data, there is an intermediate substance that formed in the initial stage of oxidation reaction when water vapor is absorbed onto the metallic uranium. The minimum energy of UOH 2 wich C ...According to the experimental data, there is an intermediate substance that formed in the initial stage of oxidation reaction when water vapor is absorbed onto the metallic uranium. The minimum energy of UOH 2 wich C 2v configuration is obtained in the state of 5A 1 by B3LYP method of the density function theory (DFT), which is consistent with that by statics of atoms and molecules reaction (AMRS) and group theory. The results from calculations indicate that the adsorption of water vapor on the metallic uranium is an exothermic reaction and that the adsorbed amount decreases with the elevated temperatures. the adsorptive heat at 1 atm is -205.474 7 kJ.mol -1 , which indicates a typical chemical adsorption.展开更多
There are six independent constituents with 4 chemical elements, i.e. PuH 2.7 (s), PuN(s), Pu 2O 3(s), N 2, O 2 and H 2, therefore , the system described involves of 2 independent reactions ,both ΔG°0. The cal...There are six independent constituents with 4 chemical elements, i.e. PuH 2.7 (s), PuN(s), Pu 2O 3(s), N 2, O 2 and H 2, therefore , the system described involves of 2 independent reactions ,both ΔG°0. The calculated equilibrium compositions are in agreement with those of the experimental, which indicates that the chemical equilibrium is nearly completely approached. Therefore, it is believed that the reaction rate of plutonium hydride with air is extremely rapid. The present paper has briefly discussed the simultaneous reactions and its thermodynamic coupling effect.展开更多
文摘In this paper, the synthesis process of TiC+TiN multiple films on super-low-carbon stainless steels is reported. The TiC layer is coated as the first layer in the multiple film, the change of growth rate of the film on the 316L Stainless steel is not same as the one on carbides substrates, while the mole ratio of CRi to TiCLi (mCH/TiCl4) is changed from 1.2 to 2.0. The Ti [C, N], as a kind of inter-layer between TiC and TiN layers, is helpful to improve the adhesion between the TiC and TiN layer. The cooling rate greatly influences the quality of the adhesion between the TiC+TiN film and substrates.
文摘We develop a kind of neutron detector, which consists of a polyethylene thin film and two PIN semicon- ductors connected face-to-face. The detector is insensitive to γ-rays. Its sensitivity to neutron has been calculated with MCNP program and calibrated by experiments, and the results indicate that the neutron sensitivity of the compensa- tion detector will vary with polyethylene converter. The compensation PIN detector can be employed to measure pulse neutron in neutron and gamma mixture radiation field.
文摘TCTMP ( 1,4,8,11-tetraaza cyclotetradecyl- 1,4,8,11-tetramethylene phosphonate) was synthesized and coupled with 188Re. The 188Re-TCTMP's coupling condition, stability and bio-distribution in mice were investigated.The results showed that satisfactory yield of 188Re could be obtained under the conditions of media pH=2.0, 0.8～1.6 mg of SnCl2 and 50 mg of ligand. 188Re-TCTMP was stable (complexation yield ＞95%) in 8 d without protection of N2. The result of bio-distribution indicated that 188Re-TCTMP had a strong affinity to skeleton and very low non-target tissue's uptake, and the amount of 188Re-TCTMP in blood was (0.06±0.02)%ID/g 6 h after injection,whereas the concentration of 188Re-HEDP (1-hydroxy-ethylidene diphosphonate) in blood was (0.28±0.05)%ID/g 6 hafter injection. Compared with 188Re-HEDP, 188Re-TCTMP exhibits better potential for the treatment of metastases.
文摘After molecular structure of UF6 is optimized,molecular vibrational frequencies are calculated by LDA and GGA approaches. Some thermodynamic parameters are calculated based on the principle of statistic mechanics. Various functionals such as PWC,VWN,VWNPB,PW91,BP,PBE,RPBE,BOP with various basis sets such as MIN,DN,DND and DNP are used. The small basis sets,MIN and DN,can arrive at self-consistency. DMol3 can save more CPU’s time and resource than all electron calculations including Hartree-Fock and DFT with Gaussian code,so it should be introduced in some research,especially on compounds of lanthanide and actinide. However,comparing with the results from classical DFT,the new calculation may accompany a rather large error.
文摘In this paper, by applying a group of specific orthogonal wavelet packet to Eykho?algorithm, a new impulse response identification algorithm based on varying scale orthogonal WPTis provided. In comparison to Eykho? algorithm, the new algorithm has better practicability andwider application range. Simulation results show that the proposed impulse response identificationalgorithm can be applied to both deterministic and random systems, and is of higher identificationprecision, stronger anti-noise interference ability and better system dynamic tracking property.
文摘Infrared spectrum and NMR chemical shifts of Si (CH3)2O double free radical were calculatedemploying density functional theory(DFT) with the basis sets 6 - 311 + G(2d, p). Excited states, dipole momentand energy of Si(CH3 )2O double free radical were also calculated using time dependent density function theory(TD-DFT) with the same basis sets. It is found that the external electric field along the X,Y and Z axis affectdifferently on the excited states and other properties of Si(CH3)2O double free radical.
文摘Tin-117m(t1/2 14d; γ 159keV, 86%) is an ideal tracer for studyingbiological behavior of tin compounds as well as for developing clinically-useful radio-pharmaceuticals. It had been reported that Sn-117m[4+] DTPA has unexpectedlyhigh bone uptake and bone-to-blood ratio, and is potentially useful as an agent forskeletal scintigraphy and radiotherapy of bone tumors. In this work, HEDTMP [N-(2-hydroxyethyl) ethlenediamine-1,1,2-tri (methylene phosphonic acid)] was synthesized.Let it form complex with 117mSn. The formation conditions, stability and distributioncoefficient between oil and water of the complex were investigated.
文摘According to the experimental data, there is an intermediate substance that formed in the initial stage of oxidation reaction when water vapor is absorbed onto the metallic uranium. The minimum energy of UOH 2 wich C 2v configuration is obtained in the state of 5A 1 by B3LYP method of the density function theory (DFT), which is consistent with that by statics of atoms and molecules reaction (AMRS) and group theory. The results from calculations indicate that the adsorption of water vapor on the metallic uranium is an exothermic reaction and that the adsorbed amount decreases with the elevated temperatures. the adsorptive heat at 1 atm is -205.474 7 kJ.mol -1 , which indicates a typical chemical adsorption.
文摘There are six independent constituents with 4 chemical elements, i.e. PuH 2.7 (s), PuN(s), Pu 2O 3(s), N 2, O 2 and H 2, therefore , the system described involves of 2 independent reactions ,both ΔG°0. The calculated equilibrium compositions are in agreement with those of the experimental, which indicates that the chemical equilibrium is nearly completely approached. Therefore, it is believed that the reaction rate of plutonium hydride with air is extremely rapid. The present paper has briefly discussed the simultaneous reactions and its thermodynamic coupling effect.
