Finite element analysis has been carried out to understand the effect of various processing routes and condition on the microscale deformation behavior of Al–4.5 Cu–2 Mg alloy. The alloy has been developed through f...Finite element analysis has been carried out to understand the effect of various processing routes and condition on the microscale deformation behavior of Al–4.5 Cu–2 Mg alloy. The alloy has been developed through four different routes and condition, i.e. conventional gravity casting with and without refiner, rheocasting and SIMA process. The optical microstructures of the alloy have been used to develop representative volume elements（RVEs）. Two different boundary conditions have been employed to simulate the deformation behavior of the alloy under uniaxial loading. Finally, the simulated stress-strain behavior of the alloy is compared with the experimental result. It is found that the microstructural morphology has a significant impact on stress and strain distribution and load carrying capacity. The eutectic phase always carries a higher load than the α（Al） phase. The globular α（Al） grains with thinner and uniformly distributed eutectic network provide a better stress and strain distribution. Owing to this, SIMA processed alloy has better stress and strain distribution than other processes. Finally, the simulated yield strength of the alloy is verified by experiment and they have great agreement.展开更多
Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR MS) has become a powerful tool for analyzing the detailed composition of petroleum samples. However, the correlation between the numerous peaks obtain...Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR MS) has become a powerful tool for analyzing the detailed composition of petroleum samples. However, the correlation between the numerous peaks obtained by FT-ICR MS and bulk properties of petroleum samples is still a challenge. In this study, the internal standard method was applied for the quantitative analysis of four straight-run vacuum gas oils(VGO) by atmospheric pressure photoionization(APPI) FT-ICR MS. The heteroatom class distribution of these VGO samples turned to be different when the concentration changed. Linear relationship between the normalized abundance and the concentration of VGO samples was identified for the total aromatic compounds, aromatic hydrocarbons, S1 and N1 species. The differences of the response factors were also discussed. The sulfur contents of a series of crude oils were proved to be linear with the FT-ICR MS data calibrated by the response factor of S1 species. This study demonstrated the feasibility of the internal standard method in quantitative analysis with APPI FT-ICR MS, and the bulk properties of petroleum samples could be correlated directly with the FT-ICR MS data.展开更多
XRD,TEM,ED,and NMR analyzed four types of blast furnace slags (BFS) with different structures in this paper. The composition requirement for phase separation in BFS glass phase was then put forward,that is the composi...XRD,TEM,ED,and NMR analyzed four types of blast furnace slags (BFS) with different structures in this paper. The composition requirement for phase separation in BFS glass phase was then put forward,that is the composition of slag locates in the coexisting phase region of melilite and any silicate mineral with Q0 units. The special structure of melilite units,a 5-membered ring with high degree of polymerization (DOP),plays a key role in the formation of phase separation. In BFS system,one with chemical composition of larger ratio of (CaO + MgO/(SiO2 + Al2O3) would be more promising to meet the requirement for phase separation.展开更多
In this work, the intra-EDA method, which is a recently developed energy decomposition analysis scheme for intramolecular non-covalent interaction is extended from gas phase to solvated environment. It is the first an...In this work, the intra-EDA method, which is a recently developed energy decomposition analysis scheme for intramolecular non-covalent interaction is extended from gas phase to solvated environment. It is the first analysis scheme that performs analysis for intramolecular interaction in solution. By fragmentation scheme, a molecule is divided into intramolecular interacting fragments and environmental fragments via single bond homolysis breaking. The solvent effect is taken into account by implicit solvation model. Intramolecular interaction free energy is estimated as the separated treatment of inter-fragment interactions in dielectric environment. The analysis results highlight the importance of solvent effects to intramolecular non-covalent interaction.展开更多
文摘Finite element analysis has been carried out to understand the effect of various processing routes and condition on the microscale deformation behavior of Al–4.5 Cu–2 Mg alloy. The alloy has been developed through four different routes and condition, i.e. conventional gravity casting with and without refiner, rheocasting and SIMA process. The optical microstructures of the alloy have been used to develop representative volume elements（RVEs）. Two different boundary conditions have been employed to simulate the deformation behavior of the alloy under uniaxial loading. Finally, the simulated stress-strain behavior of the alloy is compared with the experimental result. It is found that the microstructural morphology has a significant impact on stress and strain distribution and load carrying capacity. The eutectic phase always carries a higher load than the α（Al） phase. The globular α（Al） grains with thinner and uniformly distributed eutectic network provide a better stress and strain distribution. Owing to this, SIMA processed alloy has better stress and strain distribution than other processes. Finally, the simulated yield strength of the alloy is verified by experiment and they have great agreement.
基金supported by the Major State Basic Research Development Program of China(973 Program,No.2012CB224801)
文摘Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR MS) has become a powerful tool for analyzing the detailed composition of petroleum samples. However, the correlation between the numerous peaks obtained by FT-ICR MS and bulk properties of petroleum samples is still a challenge. In this study, the internal standard method was applied for the quantitative analysis of four straight-run vacuum gas oils(VGO) by atmospheric pressure photoionization(APPI) FT-ICR MS. The heteroatom class distribution of these VGO samples turned to be different when the concentration changed. Linear relationship between the normalized abundance and the concentration of VGO samples was identified for the total aromatic compounds, aromatic hydrocarbons, S1 and N1 species. The differences of the response factors were also discussed. The sulfur contents of a series of crude oils were proved to be linear with the FT-ICR MS data calibrated by the response factor of S1 species. This study demonstrated the feasibility of the internal standard method in quantitative analysis with APPI FT-ICR MS, and the bulk properties of petroleum samples could be correlated directly with the FT-ICR MS data.
基金supported by the National Natural Science Foundation of China (Grant No.50954004)the National Science & Technology Pillar Program of China (Grant No.2007AA03Z529)
文摘XRD,TEM,ED,and NMR analyzed four types of blast furnace slags (BFS) with different structures in this paper. The composition requirement for phase separation in BFS glass phase was then put forward,that is the composition of slag locates in the coexisting phase region of melilite and any silicate mineral with Q0 units. The special structure of melilite units,a 5-membered ring with high degree of polymerization (DOP),plays a key role in the formation of phase separation. In BFS system,one with chemical composition of larger ratio of (CaO + MgO/(SiO2 + Al2O3) would be more promising to meet the requirement for phase separation.
基金supported by the National Natural Science Foundation of China (21373165, 21120102035, 21273176, 21290190)the Fundamental Research Funds for the Central Universities, China (20720150037)
文摘In this work, the intra-EDA method, which is a recently developed energy decomposition analysis scheme for intramolecular non-covalent interaction is extended from gas phase to solvated environment. It is the first analysis scheme that performs analysis for intramolecular interaction in solution. By fragmentation scheme, a molecule is divided into intramolecular interacting fragments and environmental fragments via single bond homolysis breaking. The solvent effect is taken into account by implicit solvation model. Intramolecular interaction free energy is estimated as the separated treatment of inter-fragment interactions in dielectric environment. The analysis results highlight the importance of solvent effects to intramolecular non-covalent interaction.
