Molecular dynamics(MD)simulations and anisotropic thermal diffusion dynamics(ATD)simulations were performed on the wild TrpR and its 75 residue mutant(mTrpR)to investigate TrpR longrange effects.The ATD result shows t...Molecular dynamics(MD)simulations and anisotropic thermal diffusion dynamics(ATD)simulations were performed on the wild TrpR and its 75 residue mutant(mTrpR)to investigate TrpR longrange effects.The ATD result shows that the mTrpR has higher fluctuation than the wild TrpR,and its helix chainⅡF has particular disorder.It is obvious that the 75 residue of wild TrpR and mTrpR affects the protein dynamics flexibilities by the long-range effects.The ATD and MD both confirm that the differences in the size of side-chain and three-dimensional structures of two different 75 residues in the wild TrpR and mTrpR will spread to the entire protein by way of the long-range effects.Long-range effect affects the protein side chain interaction,conformational changes,flexibilities and secondary structures.Further,the ATD result also shows that each 75 residue of the symmetric homodimer has the same effect,and the two 75 residues have a positive correlation in long-range regulating processes.The residues 48,50,71,79 in chainⅠof wild TrpR and residues 45,72,80 in chainⅡof mTrpR play important roles in long-range interaction processes.展开更多
In this study,the effect of inclination angles relative to the building direction in the additively manufactured eutectic Al-5Mg-2Si alloy was investigated through the laser powder bed fusion(LPBF).The microstructures...In this study,the effect of inclination angles relative to the building direction in the additively manufactured eutectic Al-5Mg-2Si alloy was investigated through the laser powder bed fusion(LPBF).The microstructures and mechanical properties of the Al-5Mg-2Si alloy manufactured with different inclination angles(0°,30°,45°,60°and 90°)were reported and discussed.It is found that the“semicircular”melt pool(MP)in the load bearing face of 0°sample was eventually transformed into“stripe-like”MP in the 90°sample,accompanied by an increased fraction of melt pool boundaries(MPBs).Moreover,the microstructural analysis revealed that the columnar-to-equiaxed transition(CET)of theα-Al grains and eutectic Mg2Si was completed in the 90°sample,which were significantly refined with the average size of 10.6μm and 0.44μm,respectively.It is also found that the 90°sample exhibited good combination of strength and elongation(i.e.yield strength of 393 MPa,ultimate tensile strength of 483 MPa and elongation of 8.1%).The anisotropic mechanical properties were highly associated with the refined microstructures,thermal stress,and density of MPBs.Additionally,the CET driven by inclination angles was attributed to the variation of thermal conditions inside the local MPs.展开更多
基金supported by the Innovation project of Henan Agricultural University(No.30600982)PhD Start-up Foundation of Henan Agricultural University(30600780)2023 Instrument Operator Capability lmprovement Project(SYS2023T04)
文摘Molecular dynamics(MD)simulations and anisotropic thermal diffusion dynamics(ATD)simulations were performed on the wild TrpR and its 75 residue mutant(mTrpR)to investigate TrpR longrange effects.The ATD result shows that the mTrpR has higher fluctuation than the wild TrpR,and its helix chainⅡF has particular disorder.It is obvious that the 75 residue of wild TrpR and mTrpR affects the protein dynamics flexibilities by the long-range effects.The ATD and MD both confirm that the differences in the size of side-chain and three-dimensional structures of two different 75 residues in the wild TrpR and mTrpR will spread to the entire protein by way of the long-range effects.Long-range effect affects the protein side chain interaction,conformational changes,flexibilities and secondary structures.Further,the ATD result also shows that each 75 residue of the symmetric homodimer has the same effect,and the two 75 residues have a positive correlation in long-range regulating processes.The residues 48,50,71,79 in chainⅠof wild TrpR and residues 45,72,80 in chainⅡof mTrpR play important roles in long-range interaction processes.
基金Project(52071343)supported by the National Natural Science Foundation of China。
文摘In this study,the effect of inclination angles relative to the building direction in the additively manufactured eutectic Al-5Mg-2Si alloy was investigated through the laser powder bed fusion(LPBF).The microstructures and mechanical properties of the Al-5Mg-2Si alloy manufactured with different inclination angles(0°,30°,45°,60°and 90°)were reported and discussed.It is found that the“semicircular”melt pool(MP)in the load bearing face of 0°sample was eventually transformed into“stripe-like”MP in the 90°sample,accompanied by an increased fraction of melt pool boundaries(MPBs).Moreover,the microstructural analysis revealed that the columnar-to-equiaxed transition(CET)of theα-Al grains and eutectic Mg2Si was completed in the 90°sample,which were significantly refined with the average size of 10.6μm and 0.44μm,respectively.It is also found that the 90°sample exhibited good combination of strength and elongation(i.e.yield strength of 393 MPa,ultimate tensile strength of 483 MPa and elongation of 8.1%).The anisotropic mechanical properties were highly associated with the refined microstructures,thermal stress,and density of MPBs.Additionally,the CET driven by inclination angles was attributed to the variation of thermal conditions inside the local MPs.
