Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the ...Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the crystal grows into facet dendrites,displaying six-fold symmetry. The size of initial crystals has an effect on the branching-off of the principal branch tip along the<100> direction, which is eliminated by setting the b/a(a and b are the semi-major and semi-minor sizes in the initial elliptical crystals, respectively) value to be less than or equal to 1. With an increase in the undercooling value, the equilibrium morphology of the crystal changes from a star-like shape to facet dendrites without side branches. The steady-state tip velocity increases exponentially when the dimensionless undercooling is below the critical value. With a further increase in the undercooling value, the equilibrium morphology of the crystal grows into a developed side-branch structure, and the steady-state tip velocity of the facet dendrites increases linearly. The facet dendrite growth has controlled diffusion and kinetics.展开更多
The ω phase is commonly observed in β-Ti alloys and plays a significant role on various properties ofβ-Ti alloys.Although many results about the role of ω phase on mechanical properties of β-Ti alloys have been d...The ω phase is commonly observed in β-Ti alloys and plays a significant role on various properties ofβ-Ti alloys.Although many results about the role of ω phase on mechanical properties of β-Ti alloys have been derived from theoretical and experimental studies,the role of ω phase on deformation mechanism hitherto remains elusive and deserves to be further studied.In this work,the role played by ω phase during the {112} <111>_(β) twining in Ti-Mo alloys were investigated by first-principles calculations at atomic scale.In the energy favorable interface of(112)_(β)(110)_(ω),we found that partial dislocations slipping on the successive(1010)_(ω)planes of ω phase can lead to the formation of {112} <111>_(β) twin nucleus.And the twin nucleus grows inwards ω grain interior through atomic shuffle.Thus,a new twinning mechanism of {112} <111>_(β) assisted by ω phase was proposed.Furthermore,our calculations indicated that the appearance of ITB(interfacial twin boundary) ω phase can improve the stability of the symmetrical{112} <111>_(β) twin boundary(TB),which can well explain the experimental phenomenon that the ITBω phase always accompanies the formation of {112} <111>_(β) twin.Finally,a probable microstructure evolution sequence was suggested,namely β matrix→β matrix+athermal ω phase→(112)[111]_(β) twin+ITB ω phase.Our calculations provide new insights on the role played byω phase during the twinning process of {112} <111>_(β),which can deepen the understanding on the deformation behaviors of β-Ti alloys.展开更多
A unique discontinuous lamellar microstructure of titanium alloys consisting of lamellar colonies at prior β-Ti grain boundaries and internal interwoven α-laths is prepared by a TiH_(2)-based powder metallurgy metho...A unique discontinuous lamellar microstructure of titanium alloys consisting of lamellar colonies at prior β-Ti grain boundaries and internal interwoven α-laths is prepared by a TiH_(2)-based powder metallurgy method.The α-variants get various crystallographic orientations and become discontinuous during vacuum annealing at 700℃.Remarkably,nanoscale phase δ-TiH compound layers are generated between α-laths and β-strips,so that dislocations are piled up at the α/δ/βinterfaces during tensile deformation.This leads to dislocation slips being confined to individual α-laths,with differentslips and particularly pyramidal<c+a>slips being activated.The efficiency of wavy slip is promoted and the work hardening rate is enhanced.Finally,the combined effect of dispersed micro-shear bands and lath distortions is considered contributive for alleviating the stress concentration at grain boundaries,resulting in a high-promising synergy of enhanced ultimate tensile strength of 1080 MPa and good elongation to fracture of 13.6%.展开更多
Chalcogenide superlattices Sb_(2)Te_(3)-GeTe is a candidate for interfacial phase-change memory(iPCM) data storage devices.By employing terahertz emission spectroscopy and the transient reflectance spectroscopy togeth...Chalcogenide superlattices Sb_(2)Te_(3)-GeTe is a candidate for interfacial phase-change memory(iPCM) data storage devices.By employing terahertz emission spectroscopy and the transient reflectance spectroscopy together,we investigate the ultrafast photoexcited carrier dynamics and current transients in Sb_(2)Te_(3)-GeTe superlattices.Sample orientation and excitation polarization dependences of the THz emission confirm that ultrafast thermo-electric,shift and injection currents contribute to the THz generation in Sb_(2)Te_(3)-GeTe superlattices.By decreasing the thickness and increasing the number of GeTe and Sb_(2)Te_(3) layer,the interlayer coupling can be enhanced,which significantly reduces the contribution from circular photo-galvanic effect(CPGE).A photo-induced bleaching in the transient reflectance spectroscopy probed in the range of~1100 nm to~1400 nm further demonstrates a gapped state resulting from the interlayer coupling.These demonstrates play an important role in the development of iPCM-based high-speed optoelectronic devices.展开更多
The mass transfer process in a perforated rotating disk contactor(PRDC) using a toluene-acetone-water system was investigated.The volumetric overall mass transfer coefficients are calculated in a PRDC column.Both mass...The mass transfer process in a perforated rotating disk contactor(PRDC) using a toluene-acetone-water system was investigated.The volumetric overall mass transfer coefficients are calculated in a PRDC column.Both mass transfer directions are considered in experiments.The influences of operating variables containing agitation rate,dispersed and continuous phase flow rates and mass transfer in the extraction column are studied.According to obtained results,mass transfer is significantly dependent on agitation rate,while the dispersed and continuous phase flow rates have a minor effect on mass transfer in the extraction column.Furthermore,a novel empirical correlation is developed for prediction of overall continuous phase Sherwood number based on dispersed phase holdup,Reynolds number and mass transfer direction.There has been great agreement between experimental data and predicted values using a proposed correlation for all operating conditions.展开更多
Interfacial phase change memory （iPCM） based on GeTe and Sb2Te3 superlattices （SLs） is an emerging contender for non-volatile data storage applications. A detailed knowledge of the atomic structure of these materi...Interfacial phase change memory （iPCM） based on GeTe and Sb2Te3 superlattices （SLs） is an emerging contender for non-volatile data storage applications. A detailed knowledge of the atomic structure of these materials is crucial for further development of SLs and for a better understanding of the resistivity switching characteristics of iPCM devices. In this work, crystalline GeTe-Sb2TeB- based SLs, produced by pulsed laser deposition onto a Si（111） substrate at temperatures lower than in previous studies, are analyzed by advanced scanning transmission electron microscopy. The results reveal the formation of Ge-rich Ge（x＋y）Sb（2-y）Tez building blocks with specific numbers of ordered Ge cation layers （between I and 5） and disordered cation layers （4） for z = 6-10, as well as intermixed cation layers for z = 5, within the SLs. The G Ge（x＋y）Sb（2-y）Tez units are separated from the Sb2Te3 building blocks by van der Waals gaps. In particular, the interlayer bonding is promoted by the formation of outermost cation layers consisting of intermixed GeSb within the building blocks adjacent to the van der Waals gaps. The Ge（x＋y）Sb（2-y）Tez units with z 〉 5 retain metastable crystal structures with two-dimensional bonding within the SLs. The present study shed new light on the possible configurations of the building units that can be formed during the synthesis of GeTe-Sb2Te3-based iPCM materials. In addition, a possible switching mechanism active in iPCM materials is discussed.展开更多
Low-dimensional H2 aggregates have been successfully fabricated on Au（111） surfaces and investigated by means of low temperature scanning tunneling microscopy. We use manganese phthalocyanine （MnPc） molecules anch...Low-dimensional H2 aggregates have been successfully fabricated on Au（111） surfaces and investigated by means of low temperature scanning tunneling microscopy. We use manganese phthalocyanine （MnPc） molecules anchored on the Au（111） surface to efficiently collect and pin hydrogen molecules. A two-dimensional （2D） molecular hydrogen cluster is formed around the MnPc. The hydrogen cluster exhibits bias-dependent topography and spatial-dependent conductance spectra, which are rationalized by the exponentially decreasing threshold energy with distance from the central MnPc to activate the motion of the H2 molecules. This exponential drop reveals an interfacial phase behavior in the 2D cluster.展开更多
Molybdenum disulfide (MoS2) has been recognized as one of the most promising candidates to replace precious Pt for hydrogen evolution reaction (HER) catalysis, due to the natural abundance, low cost, tunable electroni...Molybdenum disulfide (MoS2) has been recognized as one of the most promising candidates to replace precious Pt for hydrogen evolution reaction (HER) catalysis, due to the natural abundance, low cost, tunable electronic properties, and excellent chemical stability. Although notable processes have been achieved in the past decades, their performance is still far less than that of Pt. Searching effective strategies to boosting their HER performance is still the primary goal. In this review, the recent process of the electronic regulation of MoS2 for HER is summarized, including band structure engineering, electronic state modulation, orbital orientation regulation, interface engineering. Last, the key challenges and opportunities in the development of MoS2-based materials for electrochemical HER are also discussed.展开更多
基金Project(10834015) supported by the National Natural Science Foundation of ChinaProject(12SKY01-1) supported by the Doctoral Fund of Shangluo University,ChinaProject(14JK1223) supported by the Scientific Research Program of Shaanxi Provincial Education Department,China
文摘Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the crystal grows into facet dendrites,displaying six-fold symmetry. The size of initial crystals has an effect on the branching-off of the principal branch tip along the<100> direction, which is eliminated by setting the b/a(a and b are the semi-major and semi-minor sizes in the initial elliptical crystals, respectively) value to be less than or equal to 1. With an increase in the undercooling value, the equilibrium morphology of the crystal changes from a star-like shape to facet dendrites without side branches. The steady-state tip velocity increases exponentially when the dimensionless undercooling is below the critical value. With a further increase in the undercooling value, the equilibrium morphology of the crystal grows into a developed side-branch structure, and the steady-state tip velocity of the facet dendrites increases linearly. The facet dendrite growth has controlled diffusion and kinetics.
基金supported by the National Key R&D Program of China(No.2016YFB0701302)the CAS Frontier Science Research Project(No.QYZDJ-SSW-JSC015,QYZDY-SSW-JSC027)+1 种基金supported by the SYNL Basic Frontier&Technological Innovation Research Project(No.L2019R10)the computational support from the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund(the second phase)under Grant No.U1501501。
文摘The ω phase is commonly observed in β-Ti alloys and plays a significant role on various properties ofβ-Ti alloys.Although many results about the role of ω phase on mechanical properties of β-Ti alloys have been derived from theoretical and experimental studies,the role of ω phase on deformation mechanism hitherto remains elusive and deserves to be further studied.In this work,the role played by ω phase during the {112} <111>_(β) twining in Ti-Mo alloys were investigated by first-principles calculations at atomic scale.In the energy favorable interface of(112)_(β)(110)_(ω),we found that partial dislocations slipping on the successive(1010)_(ω)planes of ω phase can lead to the formation of {112} <111>_(β) twin nucleus.And the twin nucleus grows inwards ω grain interior through atomic shuffle.Thus,a new twinning mechanism of {112} <111>_(β) assisted by ω phase was proposed.Furthermore,our calculations indicated that the appearance of ITB(interfacial twin boundary) ω phase can improve the stability of the symmetrical{112} <111>_(β) twin boundary(TB),which can well explain the experimental phenomenon that the ITBω phase always accompanies the formation of {112} <111>_(β) twin.Finally,a probable microstructure evolution sequence was suggested,namely β matrix→β matrix+athermal ω phase→(112)[111]_(β) twin+ITB ω phase.Our calculations provide new insights on the role played byω phase during the twinning process of {112} <111>_(β),which can deepen the understanding on the deformation behaviors of β-Ti alloys.
基金financially supported by the National Natural Science Foundation of China(Nos.52301145,52275329)the Applied Basic Research Program of Liaoning Province,China(No.2023JH2/101300158)+1 种基金the Fundamental Research Fund for the Central Universities,China(No.N2202010)the Key Research Programs of High Education Institutions in Henan Province,China(No.24A430017).
文摘A unique discontinuous lamellar microstructure of titanium alloys consisting of lamellar colonies at prior β-Ti grain boundaries and internal interwoven α-laths is prepared by a TiH_(2)-based powder metallurgy method.The α-variants get various crystallographic orientations and become discontinuous during vacuum annealing at 700℃.Remarkably,nanoscale phase δ-TiH compound layers are generated between α-laths and β-strips,so that dislocations are piled up at the α/δ/βinterfaces during tensile deformation.This leads to dislocation slips being confined to individual α-laths,with differentslips and particularly pyramidal<c+a>slips being activated.The efficiency of wavy slip is promoted and the work hardening rate is enhanced.Finally,the combined effect of dispersed micro-shear bands and lath distortions is considered contributive for alleviating the stress concentration at grain boundaries,resulting in a high-promising synergy of enhanced ultimate tensile strength of 1080 MPa and good elongation to fracture of 13.6%.
基金Project supported by the National Key Research and Development Program of China(Grant Nos.2023YFF0719200 and 2022YFA1404004)the National Natural Science Foundation of China(Grant Nos.62322115,61988102,61975110,62335012,and 12074248)+3 种基金111 Project(Grant No.D18014)the Key Project supported by Science and Technology Commission Shanghai Municipality(Grant No.YDZX20193100004960)Science and Technology Commission of Shanghai Municipality(Grant Nos.22JC1400200 and 21S31907400)General Administration of Customs People’s Republic of China(Grant No.2019HK006)。
文摘Chalcogenide superlattices Sb_(2)Te_(3)-GeTe is a candidate for interfacial phase-change memory(iPCM) data storage devices.By employing terahertz emission spectroscopy and the transient reflectance spectroscopy together,we investigate the ultrafast photoexcited carrier dynamics and current transients in Sb_(2)Te_(3)-GeTe superlattices.Sample orientation and excitation polarization dependences of the THz emission confirm that ultrafast thermo-electric,shift and injection currents contribute to the THz generation in Sb_(2)Te_(3)-GeTe superlattices.By decreasing the thickness and increasing the number of GeTe and Sb_(2)Te_(3) layer,the interlayer coupling can be enhanced,which significantly reduces the contribution from circular photo-galvanic effect(CPGE).A photo-induced bleaching in the transient reflectance spectroscopy probed in the range of~1100 nm to~1400 nm further demonstrates a gapped state resulting from the interlayer coupling.These demonstrates play an important role in the development of iPCM-based high-speed optoelectronic devices.
文摘The mass transfer process in a perforated rotating disk contactor(PRDC) using a toluene-acetone-water system was investigated.The volumetric overall mass transfer coefficients are calculated in a PRDC column.Both mass transfer directions are considered in experiments.The influences of operating variables containing agitation rate,dispersed and continuous phase flow rates and mass transfer in the extraction column are studied.According to obtained results,mass transfer is significantly dependent on agitation rate,while the dispersed and continuous phase flow rates have a minor effect on mass transfer in the extraction column.Furthermore,a novel empirical correlation is developed for prediction of overall continuous phase Sherwood number based on dispersed phase holdup,Reynolds number and mass transfer direction.There has been great agreement between experimental data and predicted values using a proposed correlation for all operating conditions.
文摘Interfacial phase change memory （iPCM） based on GeTe and Sb2Te3 superlattices （SLs） is an emerging contender for non-volatile data storage applications. A detailed knowledge of the atomic structure of these materials is crucial for further development of SLs and for a better understanding of the resistivity switching characteristics of iPCM devices. In this work, crystalline GeTe-Sb2TeB- based SLs, produced by pulsed laser deposition onto a Si（111） substrate at temperatures lower than in previous studies, are analyzed by advanced scanning transmission electron microscopy. The results reveal the formation of Ge-rich Ge（x＋y）Sb（2-y）Tez building blocks with specific numbers of ordered Ge cation layers （between I and 5） and disordered cation layers （4） for z = 6-10, as well as intermixed cation layers for z = 5, within the SLs. The G Ge（x＋y）Sb（2-y）Tez units are separated from the Sb2Te3 building blocks by van der Waals gaps. In particular, the interlayer bonding is promoted by the formation of outermost cation layers consisting of intermixed GeSb within the building blocks adjacent to the van der Waals gaps. The Ge（x＋y）Sb（2-y）Tez units with z 〉 5 retain metastable crystal structures with two-dimensional bonding within the SLs. The present study shed new light on the possible configurations of the building units that can be formed during the synthesis of GeTe-Sb2Te3-based iPCM materials. In addition, a possible switching mechanism active in iPCM materials is discussed.
基金This work was financially supported by the National Natural Science Foundation of China （Nos. 51210003 and 11290165）, National Basic Research Program of China （No. 2009CB929103）, TRR61 and Chinese Academy of Sciences.
文摘Low-dimensional H2 aggregates have been successfully fabricated on Au（111） surfaces and investigated by means of low temperature scanning tunneling microscopy. We use manganese phthalocyanine （MnPc） molecules anchored on the Au（111） surface to efficiently collect and pin hydrogen molecules. A two-dimensional （2D） molecular hydrogen cluster is formed around the MnPc. The hydrogen cluster exhibits bias-dependent topography and spatial-dependent conductance spectra, which are rationalized by the exponentially decreasing threshold energy with distance from the central MnPc to activate the motion of the H2 molecules. This exponential drop reveals an interfacial phase behavior in the 2D cluster.
基金the financial supports of the National Natural Science Foundation of China(Nos.21771169,51801075,and 11722543)the National Key Research and Development Program of China(No.2017YFA0206703)+1 种基金Anhui Provincial Natural Science Foundation(No.BJ2060190077)Re-cruitment Program of Global Expert,and the Fundamental Research Funds for the Central Universities(Nos.WK2060190074,WK2060190081,and WK2310000066).
文摘Molybdenum disulfide (MoS2) has been recognized as one of the most promising candidates to replace precious Pt for hydrogen evolution reaction (HER) catalysis, due to the natural abundance, low cost, tunable electronic properties, and excellent chemical stability. Although notable processes have been achieved in the past decades, their performance is still far less than that of Pt. Searching effective strategies to boosting their HER performance is still the primary goal. In this review, the recent process of the electronic regulation of MoS2 for HER is summarized, including band structure engineering, electronic state modulation, orbital orientation regulation, interface engineering. Last, the key challenges and opportunities in the development of MoS2-based materials for electrochemical HER are also discussed.
