The strong thermo-mechanical stress is one of the most critical failure mechanisms that affect the durability of thermoelectric devices. In this study, numerical simulations on the formation mechanism of the maximum t...The strong thermo-mechanical stress is one of the most critical failure mechanisms that affect the durability of thermoelectric devices. In this study, numerical simulations on the formation mechanism of the maximum thermal stress inside the thermoelectric device have been performed by using finite element method. The influences of the material properties and the thermal radiation on the thermal stress have been examined. The results indicate that the maximum thermal stress was located at the contact position between the two materials and occurred due to differential thermal expansions and displacement constraints of the materials. The difference in the calculated thermal stress value between the constant and the variable material properties was between 3% and 4%. At a heat flux of 1 W·cm^(-2) and an emissivity of 0.5, the influence of the radiation heat transfer on the thermal stress was only about 5%; however, when the heat flux was 20 W·cm^(-2) and the emissivity was 0.7, the influence of the radiation heat transfer was more than 30%.展开更多
Ferroelectricity and metallicity are usually believed not to coexist because conducting electrons would screen out static internal electric fields.In 1965,Anderson and Blount proposed the concept of"ferroelectric...Ferroelectricity and metallicity are usually believed not to coexist because conducting electrons would screen out static internal electric fields.In 1965,Anderson and Blount proposed the concept of"ferroelectric metal",however,it is only until recently that very rare ferroelectric metals were reported.Here,by combining high-throughput ab initio calculations and data-driven machine learning method with new electronic orbital based descriptors,we systematically investigated a large family(2964)of two-dimensional(2D)bimetal phosphates,and discovered 60 stable ferroelectrics with out-of-plane polarization,including 16 ferroelectric metals and 44 ferroelectric semiconductors that contain seven multiferroics.The ferroelectricity origins from spontaneous symmetry breaking induced by the opposite displacements of bimetal atoms,and the full-d-orbital coinage metal elements cause larger displacements and polarization than other elements.For 2D ferroelectric metals,the odd electrons per unit cell without spin polarization may lead to a half-filled energy band around Fermi level and is responsible for the metallicity.It is revealed that the conducting electrons mainly move on a single-side surface of the 2D layer,while both the ionic and electric contributions to polarization come from the other side and are vertical to the above layer,thereby causing the coexistence of metallicity and ferroelectricity.Van der Waals heterostructures based on ferroelectric metals may enable the change of Schottky barrier height or the Schottky-Ohmic contact type and induce a dramatic change of their vertical transport properties.Our work greatly expands the family of 2D ferroelectric metals and will spur further exploration of 2D ferroelectric metals.展开更多
基金financially supported by the Science Challenge Project(Grant No.TZ2018003)
文摘The strong thermo-mechanical stress is one of the most critical failure mechanisms that affect the durability of thermoelectric devices. In this study, numerical simulations on the formation mechanism of the maximum thermal stress inside the thermoelectric device have been performed by using finite element method. The influences of the material properties and the thermal radiation on the thermal stress have been examined. The results indicate that the maximum thermal stress was located at the contact position between the two materials and occurred due to differential thermal expansions and displacement constraints of the materials. The difference in the calculated thermal stress value between the constant and the variable material properties was between 3% and 4%. At a heat flux of 1 W·cm^(-2) and an emissivity of 0.5, the influence of the radiation heat transfer on the thermal stress was only about 5%; however, when the heat flux was 20 W·cm^(-2) and the emissivity was 0.7, the influence of the radiation heat transfer was more than 30%.
基金the National Key R&D Program of China(2018YFA0305800)the Strategic Priority Research Program of Chinese Academy of Sciences(XDB28000000)+2 种基金the National Natural Science Foundation of China(11834014)Beijing Municipal Science and Technology Commission(Z191100007219013)University of Chinese Academy of Sciences。
文摘Ferroelectricity and metallicity are usually believed not to coexist because conducting electrons would screen out static internal electric fields.In 1965,Anderson and Blount proposed the concept of"ferroelectric metal",however,it is only until recently that very rare ferroelectric metals were reported.Here,by combining high-throughput ab initio calculations and data-driven machine learning method with new electronic orbital based descriptors,we systematically investigated a large family(2964)of two-dimensional(2D)bimetal phosphates,and discovered 60 stable ferroelectrics with out-of-plane polarization,including 16 ferroelectric metals and 44 ferroelectric semiconductors that contain seven multiferroics.The ferroelectricity origins from spontaneous symmetry breaking induced by the opposite displacements of bimetal atoms,and the full-d-orbital coinage metal elements cause larger displacements and polarization than other elements.For 2D ferroelectric metals,the odd electrons per unit cell without spin polarization may lead to a half-filled energy band around Fermi level and is responsible for the metallicity.It is revealed that the conducting electrons mainly move on a single-side surface of the 2D layer,while both the ionic and electric contributions to polarization come from the other side and are vertical to the above layer,thereby causing the coexistence of metallicity and ferroelectricity.Van der Waals heterostructures based on ferroelectric metals may enable the change of Schottky barrier height or the Schottky-Ohmic contact type and induce a dramatic change of their vertical transport properties.Our work greatly expands the family of 2D ferroelectric metals and will spur further exploration of 2D ferroelectric metals.
