Metastable nanostructured electrocatalyst with a completely different surface environment compared to conventional phase-based electrocatalyst often shows distinctive catalytic property.Although Ru-based electrocataly...Metastable nanostructured electrocatalyst with a completely different surface environment compared to conventional phase-based electrocatalyst often shows distinctive catalytic property.Although Ru-based electrocatalysts have been widely investigated toward hydrogen oxidation reaction(HOR)under alkaline electrolytes,these studies are mostly limited to conventional hexagonal-close-packed(hcp)phase,mainly arising from the lack of sufficient synthesis strategies.In this study,we report the precise synthesis of metastable binary RuW alloy with face-centered-cubic(fcc)phase.We find that the introduction of W can serve as fcc phase seeds and reduce the formation energy of metastable fcc-RuW alloy.Impressively,fcc-RuW exhibits remarkable alkaline HOR performance and stability with the activity of 0.67 mA cm_(Ru)^(-2)which is almost five and three times higher than that of hcp-Ru and commercial Pt/C,respectively,which is attributed to the optimized binding strength of adsorbed hydroxide intermediate derived from tailored electronic structure through W doping and phase engineering.Moreover,this strategy can also be applied to synthesize other metastable fcc-RuCr and fcc-RuMo alloys with enhanced HOR performances.展开更多
In this paper we study the existence and stability of two-dimensional discrete gap breathers in a two-dimensional diatomic face-centered square lattice consisting of alternating light and heavy atoms, with on-site pot...In this paper we study the existence and stability of two-dimensional discrete gap breathers in a two-dimensional diatomic face-centered square lattice consisting of alternating light and heavy atoms, with on-site potential and coupling potential. This study is focused on two-dimensional breathers with their frequency in the gap that separates the acoustic and optical bands of the phonon spectrum. We demonstrate the possibility of the existence of two-dimensional gap breathers by using a numerical method. Six types of two-dimensional gap breathers are obtained, i.e., symmetric, mirror-symmetric and asymmetric, whether the center of the breather is on a light or a heavy atom. The difference between one-dimensional discrete gap breathers and two-dimensional discrete gap breathers is also discussed. We use Aubry's theory to analyze the stability of discrete gap breathers in the two-dimensional diatomic face-centered square lattice.展开更多
By virtue of the method of multiple-scale and the quasi-discreteness approach, we have discussed the nonlinear vibration equation of a 3D discrete monatomic lattice with its nearest-neighbours interaction. The 3D simp...By virtue of the method of multiple-scale and the quasi-discreteness approach, we have discussed the nonlinear vibration equation of a 3D discrete monatomic lattice with its nearest-neighbours interaction. The 3D simple cubic lattices have the same localized modes as a 1D discrete monatomic chain with cubic and quartic nonlinearity. The nonlinear vibration in the 3D simple cubic lattice has 3D distorted solitons and 3D envelop solitons in the direction of kx = ky = kz = k and k = ±π/6α0 in the Brillouin zone, as well as has 3D vortices in the direction of kx = ky = kz = k and k = ±π/α0 in the Brillouin zone.展开更多
Instantaneous creep in face-centered cubic metals, 5N Al(99.999%), 2N Al (99%) and 4N Cu (99.99%) with different grain sizes, was firstly investigated by sudden stress-change experiments at ultra- low strain rat...Instantaneous creep in face-centered cubic metals, 5N Al(99.999%), 2N Al (99%) and 4N Cu (99.99%) with different grain sizes, was firstly investigated by sudden stress-change experiments at ultra- low strain rates ε ≤10-10 s-1 and temperature T 〈 0.32 Tn. The experimental results indicate that the observed instantaneous creep is strongly dependent on grain size, the concentration of impurity, and stacking fault energy. Creep in high-purity aluminum, 5N Al, with a very large grain size, d 〉 1600μm, shows non-viscous behavior, and is controlled by the recovery of dislocations in the boundary of dislocation cells. On the other hand, for 5N A1 with a small grain size, d=30μm, and low-purity aluminum, 2N A1, with d8= 25μm, creep shows viscous behavior and may be related to 'low temperature grain boundary sliding'. For high-purity copper, 4N Cu, with d= 40 grn and lower stacking fault energy, creep shows a non-viscous behavior, and is controlled by the recovery process of dislocations. For all of the samples, creep shows anelastic behavior.展开更多
Surface structures and properties of Sn islands grown on superconducting substrate 2H-NbSe2(0001)are studied using low temperature scanning tunneling microscopy or spectroscopy.The pure face-centered cubic(fee)str...Surface structures and properties of Sn islands grown on superconducting substrate 2H-NbSe2(0001)are studied using low temperature scanning tunneling microscopy or spectroscopy.The pure face-centered cubic(fee)structure of Sn surface is obtained.Superconductivity is also detected on the fcc-Sn(111)surface,and the size of superconducting gap on the Sn surface is nearly the same as that on the superconducting substrate.Furthermore,phase transition occurs from fcc-Sn(111)toβ-Sn(001)by keeping the sample at room temperature for a certain time.Due to the strain relaxation on theβ-Sn islands,both the in-plane unit cell and out-of-plane structures distort,and the height of surface atoms varies periodically to form a universal ripple structure.展开更多
We investigate the explicit novel localized nonlinear matter waves of the cubic-quintic nonlinear Schr6dinger equation with spafiotemporal modulation of the nonlinearities and the harmonic-lattice potential using a mo...We investigate the explicit novel localized nonlinear matter waves of the cubic-quintic nonlinear Schr6dinger equation with spafiotemporal modulation of the nonlinearities and the harmonic-lattice potential using a modified similarity trans- formation. We also find that when the modulus of the Jacobian elliptic function in the limit closes to 1, the shapes of the breathing solitons may exhibit some interesting features, i.e., one breathing soliton dividing into two in the ground state. The stability of the exact solutions is investigated numerically such that some stable breathing soliton solutions are found.展开更多
Ruthenium(Ru)is one of the most promising metals for its versatility in driving a wide range of catalytic reactions.However,owing to the intrinsic preference of hexagonal close-packed(hcp)phase for bulk Ru,currently,i...Ruthenium(Ru)is one of the most promising metals for its versatility in driving a wide range of catalytic reactions.However,owing to the intrinsic preference of hexagonal close-packed(hcp)phase for bulk Ru,currently,it is still challenging to construct Ru-based nanomaterials with face-centered-cubic(fcc)phase for optimizing their performance towards potential applications.Herein,we report a facile wet-chemical method to directly create unconventional fcc-structured Ru-copper hollow urchin-like nanospheres(fcc-RuCu HUNSs)as a class of efficient pH-universal hydrogen evolution reaction(HER)electrocatalyst.Interestingly,this synthetic strategy can be expanded to prepare other fcc-Ru-based alloy nanomaterials.Significantly,the novel fcc-RuCu HUNSs exhibit superior HER performance with the overpotential of only 25,34,40,and 26 m V to reach the current density of 10 mA cm^(-2)in 0.5 M H_(2)SO_(4),0.05 M H_(2)SO_(4),0.1 M KOH,and 1 M KOH,respectively,much lower than those of hcpRuCu HUNSs and commercial Pt/C.Density functional theory(DFT)calculations further indicate that their excellent pH-universal HER performance results from the optimized adsorption free energy of H and work functions.Our work highlights the importance of phase control to design high-efficiency nanocatalysts for relevant catalytic reactions in energy conversion.展开更多
A<110>/2 screw dislocation is commonly dissociated into two <112>/6 Shockley partial dislocations on{111} planes in face-centered cubic metals.As the two partials are not purely screw,different mechanisms ...A<110>/2 screw dislocation is commonly dissociated into two <112>/6 Shockley partial dislocations on{111} planes in face-centered cubic metals.As the two partials are not purely screw,different mechanisms of cross-slip could take place,depending on the stacking fault energy,applied stress and tempe rature.It is crucial to classify the mechanisms of cross-slip because each mechanism possesses its own reaction path with a special activation process.In this work,molecular dynamics simulations have been performed systematically to explore the cross-slip mechanism under different stresses and temperatures in three different metals Ag,Cu and Ni that have different stacking fault energies of 17.8,44.4 and 126.8 mJ/m^2,re spectively.In Ag and Cu with low stacking fault energy,it is observed that the cross-slip mechanism of screw dislocations changes from the Fleischer obtuse angle(FLOA),to the Friedel-Escaig(FE),and then to the FL acute angle(FLAA) at low temperatures,with increasing the applied stress.However,when the temperature increases,the FE mechanism gradually becomes dominant,while the FLAA only occurs at the high stress region.In particular,the FLOA has not been observed in Ni because of its high stacking fault energy.展开更多
Although phase change memory technology has developed drastically in the past two decades, the cognition of the key switching materials still ignores an important member, the face-centered cubic Sb2Te3. Apart from the...Although phase change memory technology has developed drastically in the past two decades, the cognition of the key switching materials still ignores an important member, the face-centered cubic Sb2Te3. Apart from the well-known equilibrium hexagonal Sb2Te3 crystal, we prove the metastable face-centered cubic Sb2Te3 phase does exist. Such a metastable crystal contains a large concentration of vacancies randomly occupying the cationic lattice sites. The face-centered cubic to hexagonal phase transformation of Sb2Te3, accompanied by vacancy aggregation, occurs at a quite lower temperature compared to that of Ge2Sb2Te5 alloy. We prove that the covalent-like bonds prevail in the metastable Sb2Te3 crystal, deviating from the ideal resonant features. If a proper doping technique is adopted, the metastable Sb2Te3 phase could be promising for realizing reversibly swift and low-energy phase change memory applications. Our study may offer a new insight into commercialized Ge-Sb-Te systems and help in the design of novel phase change materials to boost the performances of the phase change memorv device.展开更多
As a typical configuration in plastic deformations, dislocation arrays possess a large variation of the separation of the partial dislocation pairs in face-centered cubic(fcc) metals. This can be manifested convenie...As a typical configuration in plastic deformations, dislocation arrays possess a large variation of the separation of the partial dislocation pairs in face-centered cubic(fcc) metals. This can be manifested conveniently by an effective stacking fault energy(SFE). The effective SFE of dislocation arrays is described within the elastic theory of dislocations and verified by atomistic simulations. The atomistic modeling results reveal that the general formulae of the effective SFE can give a reasonably satisfactory prediction for all dislocation types, especially for edge dislocation arrays. Furthermore, the predicted variation of the effective SFE is consistent with several previous experiments, in which the measured SFE is not definite, changing with dislocation density. Our approach could provide better understandings of cross-slip and the competition between slip and twinning during plastic deformations in fcc metals.展开更多
In this work, we study approximations of supercritical or suction vortices in tornadic flows and their contribution to tornadogenesis and tornado maintenance using self-avoiding walks on a cubic lattice. We extend the...In this work, we study approximations of supercritical or suction vortices in tornadic flows and their contribution to tornadogenesis and tornado maintenance using self-avoiding walks on a cubic lattice. We extend the previous work on turbulence by A. Chorin and collaborators to approximate the statistical equilibrium quantities of vortex filaments on a cubic lattice when both an energy and a statistical temperature are involved. Our results confirm that supercritical (smooth, “straight”) vortices have the highest average energy and correspond to negative temperatures in this model. The lowest-energy configurations are folded up and “balled up” to a great extent. The results support A. Chorin’s findings that, in the context of supercritical vortices in a tornadic flow, when such high-energy vortices stretch, they need to fold and transfer energy to the surrounding flow, contributing to tornado maintenance or leading to its genesis. The computations are performed using a Markov Chain Monte Carlo approach with a simple sampling algorithm using local transformations that allow the results to be reliable over a wide range of statistical temperatures, unlike the originally used pivot algorithm that only performs well near infinite temperatures. Efficient ways to compute entropy are discussed and show that a system with supercritical vortices will increase entropy by having these vortices fold and transfer their energy to the surrounding flow.展开更多
A consistent empirical embedded-atom potential that includes a long range force was developed for fcc (face-centered cubic) metals and alloys. The proposed potential for pure metals does not require modification of ...A consistent empirical embedded-atom potential that includes a long range force was developed for fcc (face-centered cubic) metals and alloys. The proposed potential for pure metals does not require modification of the initial function form when being applied to alloy systems. The potential parameters of this model were determined by fitting lattice constant, three elastic constants, cohesive energy, and vacancy formation energies of the pure metals and the heats of solution of the binary alloys via an optimization technique. Parameters for Ag, AI, Au, Cu, Ni, Pd and Pt were obtained. The obtained parameters were used to calculate the bulk modulus, divacancy formation energy, crystal stability, stacking fault energy, vacancy migration energy, and melting point for each pure metal and the heats of formation and lattice constants for binary alloys. The predicted values were in good agreement with experimental results.展开更多
The anti-bird-strike performance of a lattice-material-infilled curved plate is investigated herein.Since automatically filling the curved structure by classical lattice material filling methods will cause a large num...The anti-bird-strike performance of a lattice-material-infilled curved plate is investigated herein.Since automatically filling the curved structure by classical lattice material filling methods will cause a large number of manufacturing defects,a space-dependent lattice material filling method for the curved plate is firstly proposed in this paper Next,using a face-centered cubic lattice,a lattice-material-infilled test piece with a hollow ratio of 40.8%is built.The test pieces are manufactured via additive manufacturing using titanium alloy.In bird-strike experimental tests,the test pieces are crashed against gelatin birds at an impact velocity of 200 m/s.Dynamic strain gauges are used to record the crash history and the results are discussed.Furthermore,a numerical analysis to simulate the bird-strike experiment is performed.The results from the experimental tests and numerical simulation agree well.This work shows that the lattice-material-infilled curved plate yields promising bird-strike resistance.Therefore,lattice-infilled materials are feasible for protecting aerospace components against bird-strike as well as for reducing the component weight.展开更多
基金the support from the National Natural Science Foundation of China(22272121,21972107)the National Key Research and Development program of China(2021YFB4001200)。
文摘Metastable nanostructured electrocatalyst with a completely different surface environment compared to conventional phase-based electrocatalyst often shows distinctive catalytic property.Although Ru-based electrocatalysts have been widely investigated toward hydrogen oxidation reaction(HOR)under alkaline electrolytes,these studies are mostly limited to conventional hexagonal-close-packed(hcp)phase,mainly arising from the lack of sufficient synthesis strategies.In this study,we report the precise synthesis of metastable binary RuW alloy with face-centered-cubic(fcc)phase.We find that the introduction of W can serve as fcc phase seeds and reduce the formation energy of metastable fcc-RuW alloy.Impressively,fcc-RuW exhibits remarkable alkaline HOR performance and stability with the activity of 0.67 mA cm_(Ru)^(-2)which is almost five and three times higher than that of hcp-Ru and commercial Pt/C,respectively,which is attributed to the optimized binding strength of adsorbed hydroxide intermediate derived from tailored electronic structure through W doping and phase engineering.Moreover,this strategy can also be applied to synthesize other metastable fcc-RuCr and fcc-RuMo alloys with enhanced HOR performances.
基金Project supported by the National Natural Science Foundation of China (Grant No 10574011)the Foundation for Researching Group by Beijing Normal University
文摘In this paper we study the existence and stability of two-dimensional discrete gap breathers in a two-dimensional diatomic face-centered square lattice consisting of alternating light and heavy atoms, with on-site potential and coupling potential. This study is focused on two-dimensional breathers with their frequency in the gap that separates the acoustic and optical bands of the phonon spectrum. We demonstrate the possibility of the existence of two-dimensional gap breathers by using a numerical method. Six types of two-dimensional gap breathers are obtained, i.e., symmetric, mirror-symmetric and asymmetric, whether the center of the breather is on a light or a heavy atom. The difference between one-dimensional discrete gap breathers and two-dimensional discrete gap breathers is also discussed. We use Aubry's theory to analyze the stability of discrete gap breathers in the two-dimensional diatomic face-centered square lattice.
基金Project supported by the Foundation for University Key Teachers by the Ministry of Education of China, the Scientific Research Fund of Heilongjiang Provincial Education Department (Grant No 10543080) and Natural Science Foundation of Heilongjiang Province, China (Grant No A200506).
文摘By virtue of the method of multiple-scale and the quasi-discreteness approach, we have discussed the nonlinear vibration equation of a 3D discrete monatomic lattice with its nearest-neighbours interaction. The 3D simple cubic lattices have the same localized modes as a 1D discrete monatomic chain with cubic and quartic nonlinearity. The nonlinear vibration in the 3D simple cubic lattice has 3D distorted solitons and 3D envelop solitons in the direction of kx = ky = kz = k and k = ±π/6α0 in the Brillouin zone, as well as has 3D vortices in the direction of kx = ky = kz = k and k = ±π/α0 in the Brillouin zone.
基金Funded by the Tianjin Research Program of Application Foundation and Advanced Technology(12JCYBJC32100)the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministryin part by Grants-in-Aid from the Japan Society for the Promotion of Science(JSPS)
文摘Instantaneous creep in face-centered cubic metals, 5N Al(99.999%), 2N Al (99%) and 4N Cu (99.99%) with different grain sizes, was firstly investigated by sudden stress-change experiments at ultra- low strain rates ε ≤10-10 s-1 and temperature T 〈 0.32 Tn. The experimental results indicate that the observed instantaneous creep is strongly dependent on grain size, the concentration of impurity, and stacking fault energy. Creep in high-purity aluminum, 5N Al, with a very large grain size, d 〉 1600μm, shows non-viscous behavior, and is controlled by the recovery of dislocations in the boundary of dislocation cells. On the other hand, for 5N A1 with a small grain size, d=30μm, and low-purity aluminum, 2N A1, with d8= 25μm, creep shows viscous behavior and may be related to 'low temperature grain boundary sliding'. For high-purity copper, 4N Cu, with d= 40 grn and lower stacking fault energy, creep shows a non-viscous behavior, and is controlled by the recovery process of dislocations. For all of the samples, creep shows anelastic behavior.
基金Supported by the National Key Research and Development Program of China under Grant Nos 2016YFA0301003 and 2016YFA0300403the National Natural Science Foundation of China under Grant Nos 11521404,11634009,U1632102,11504230,11674222,11574202,11674226,11574201 and U1632272
文摘Surface structures and properties of Sn islands grown on superconducting substrate 2H-NbSe2(0001)are studied using low temperature scanning tunneling microscopy or spectroscopy.The pure face-centered cubic(fee)structure of Sn surface is obtained.Superconductivity is also detected on the fcc-Sn(111)surface,and the size of superconducting gap on the Sn surface is nearly the same as that on the superconducting substrate.Furthermore,phase transition occurs from fcc-Sn(111)toβ-Sn(001)by keeping the sample at room temperature for a certain time.Due to the strain relaxation on theβ-Sn islands,both the in-plane unit cell and out-of-plane structures distort,and the height of surface atoms varies periodically to form a universal ripple structure.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11175158 and 11374266)the Natural Science Foundation of Zhejiang Province,China(Grant No.LY12A04001)
文摘We investigate the explicit novel localized nonlinear matter waves of the cubic-quintic nonlinear Schr6dinger equation with spafiotemporal modulation of the nonlinearities and the harmonic-lattice potential using a modified similarity trans- formation. We also find that when the modulus of the Jacobian elliptic function in the limit closes to 1, the shapes of the breathing solitons may exhibit some interesting features, i.e., one breathing soliton dividing into two in the ground state. The stability of the exact solutions is investigated numerically such that some stable breathing soliton solutions are found.
基金supported by the Ministry of Science and Technology of China(2017YFA0208200,2016YFA0204100)the National Natural Science Foundation of China(22025108,21902136)+1 种基金the China Postdoctoral Science Foundation(2020M682083)the Start-up Support from Xiamen University。
文摘Ruthenium(Ru)is one of the most promising metals for its versatility in driving a wide range of catalytic reactions.However,owing to the intrinsic preference of hexagonal close-packed(hcp)phase for bulk Ru,currently,it is still challenging to construct Ru-based nanomaterials with face-centered-cubic(fcc)phase for optimizing their performance towards potential applications.Herein,we report a facile wet-chemical method to directly create unconventional fcc-structured Ru-copper hollow urchin-like nanospheres(fcc-RuCu HUNSs)as a class of efficient pH-universal hydrogen evolution reaction(HER)electrocatalyst.Interestingly,this synthetic strategy can be expanded to prepare other fcc-Ru-based alloy nanomaterials.Significantly,the novel fcc-RuCu HUNSs exhibit superior HER performance with the overpotential of only 25,34,40,and 26 m V to reach the current density of 10 mA cm^(-2)in 0.5 M H_(2)SO_(4),0.05 M H_(2)SO_(4),0.1 M KOH,and 1 M KOH,respectively,much lower than those of hcpRuCu HUNSs and commercial Pt/C.Density functional theory(DFT)calculations further indicate that their excellent pH-universal HER performance results from the optimized adsorption free energy of H and work functions.Our work highlights the importance of phase control to design high-efficiency nanocatalysts for relevant catalytic reactions in energy conversion.
基金financially supported by the Program of “One Hundred Talented People” of the Chinese Academy of Sciences (JBY)the National Natural Science Foundation of China (Nos. 51871223, 51771206, and 51790482)。
文摘A<110>/2 screw dislocation is commonly dissociated into two <112>/6 Shockley partial dislocations on{111} planes in face-centered cubic metals.As the two partials are not purely screw,different mechanisms of cross-slip could take place,depending on the stacking fault energy,applied stress and tempe rature.It is crucial to classify the mechanisms of cross-slip because each mechanism possesses its own reaction path with a special activation process.In this work,molecular dynamics simulations have been performed systematically to explore the cross-slip mechanism under different stresses and temperatures in three different metals Ag,Cu and Ni that have different stacking fault energies of 17.8,44.4 and 126.8 mJ/m^2,re spectively.In Ag and Cu with low stacking fault energy,it is observed that the cross-slip mechanism of screw dislocations changes from the Fleischer obtuse angle(FLOA),to the Friedel-Escaig(FE),and then to the FL acute angle(FLAA) at low temperatures,with increasing the applied stress.However,when the temperature increases,the FE mechanism gradually becomes dominant,while the FLAA only occurs at the high stress region.In particular,the FLOA has not been observed in Ni because of its high stacking fault energy.
基金This work was supported by the Strategic Priority Research Program of Chinese Academy of Sciences (No. XDA09020402), National Integrate Circuit Research Program of China (No. 2009ZX02023-003), National Natural Science Foundation of China (Nos. 61076121, 61176122, 61106001, 61261160500, and 61376006), Science and Technology Council of Shanghai (Nos. 13ZR1447200 and 13DZ2295700). The supercomputer time was provided by the National Supercomputer Center in Tianjin, and the calculations were performed on TianHe-1 (A).
文摘Although phase change memory technology has developed drastically in the past two decades, the cognition of the key switching materials still ignores an important member, the face-centered cubic Sb2Te3. Apart from the well-known equilibrium hexagonal Sb2Te3 crystal, we prove the metastable face-centered cubic Sb2Te3 phase does exist. Such a metastable crystal contains a large concentration of vacancies randomly occupying the cationic lattice sites. The face-centered cubic to hexagonal phase transformation of Sb2Te3, accompanied by vacancy aggregation, occurs at a quite lower temperature compared to that of Ge2Sb2Te5 alloy. We prove that the covalent-like bonds prevail in the metastable Sb2Te3 crystal, deviating from the ideal resonant features. If a proper doping technique is adopted, the metastable Sb2Te3 phase could be promising for realizing reversibly swift and low-energy phase change memory applications. Our study may offer a new insight into commercialized Ge-Sb-Te systems and help in the design of novel phase change materials to boost the performances of the phase change memorv device.
基金support of this work by the Program of ‘‘One Hundred Talented People’’ of the Chinese Academy of Sciences (JBY) and the National Natural Science Foundation of China (Nos. 51571198, 51771206, 51331007, 51501197 and 51401207)
文摘As a typical configuration in plastic deformations, dislocation arrays possess a large variation of the separation of the partial dislocation pairs in face-centered cubic(fcc) metals. This can be manifested conveniently by an effective stacking fault energy(SFE). The effective SFE of dislocation arrays is described within the elastic theory of dislocations and verified by atomistic simulations. The atomistic modeling results reveal that the general formulae of the effective SFE can give a reasonably satisfactory prediction for all dislocation types, especially for edge dislocation arrays. Furthermore, the predicted variation of the effective SFE is consistent with several previous experiments, in which the measured SFE is not definite, changing with dislocation density. Our approach could provide better understandings of cross-slip and the competition between slip and twinning during plastic deformations in fcc metals.
文摘In this work, we study approximations of supercritical or suction vortices in tornadic flows and their contribution to tornadogenesis and tornado maintenance using self-avoiding walks on a cubic lattice. We extend the previous work on turbulence by A. Chorin and collaborators to approximate the statistical equilibrium quantities of vortex filaments on a cubic lattice when both an energy and a statistical temperature are involved. Our results confirm that supercritical (smooth, “straight”) vortices have the highest average energy and correspond to negative temperatures in this model. The lowest-energy configurations are folded up and “balled up” to a great extent. The results support A. Chorin’s findings that, in the context of supercritical vortices in a tornadic flow, when such high-energy vortices stretch, they need to fold and transfer energy to the surrounding flow, contributing to tornado maintenance or leading to its genesis. The computations are performed using a Markov Chain Monte Carlo approach with a simple sampling algorithm using local transformations that allow the results to be reliable over a wide range of statistical temperatures, unlike the originally used pivot algorithm that only performs well near infinite temperatures. Efficient ways to compute entropy are discussed and show that a system with supercritical vortices will increase entropy by having these vortices fold and transfer their energy to the surrounding flow.
文摘A consistent empirical embedded-atom potential that includes a long range force was developed for fcc (face-centered cubic) metals and alloys. The proposed potential for pure metals does not require modification of the initial function form when being applied to alloy systems. The potential parameters of this model were determined by fitting lattice constant, three elastic constants, cohesive energy, and vacancy formation energies of the pure metals and the heats of solution of the binary alloys via an optimization technique. Parameters for Ag, AI, Au, Cu, Ni, Pd and Pt were obtained. The obtained parameters were used to calculate the bulk modulus, divacancy formation energy, crystal stability, stacking fault energy, vacancy migration energy, and melting point for each pure metal and the heats of formation and lattice constants for binary alloys. The predicted values were in good agreement with experimental results.
基金provided by National Key R&D Program of China(2018YFB1106400)National Natural Science Foundation of China(11672057,11702052,U1906233)+1 种基金Aeronautical Science Foundation of China(2018ZB63002)China Postdoctoral Science Foundation(2018M640251,2019T120201)。
文摘The anti-bird-strike performance of a lattice-material-infilled curved plate is investigated herein.Since automatically filling the curved structure by classical lattice material filling methods will cause a large number of manufacturing defects,a space-dependent lattice material filling method for the curved plate is firstly proposed in this paper Next,using a face-centered cubic lattice,a lattice-material-infilled test piece with a hollow ratio of 40.8%is built.The test pieces are manufactured via additive manufacturing using titanium alloy.In bird-strike experimental tests,the test pieces are crashed against gelatin birds at an impact velocity of 200 m/s.Dynamic strain gauges are used to record the crash history and the results are discussed.Furthermore,a numerical analysis to simulate the bird-strike experiment is performed.The results from the experimental tests and numerical simulation agree well.This work shows that the lattice-material-infilled curved plate yields promising bird-strike resistance.Therefore,lattice-infilled materials are feasible for protecting aerospace components against bird-strike as well as for reducing the component weight.