A longstanding challenge in materials science has been the computational modeling of interfaces between materials with different lattice parameters.Traditional approaches using plane-wave basis sets require either int...A longstanding challenge in materials science has been the computational modeling of interfaces between materials with different lattice parameters.Traditional approaches using plane-wave basis sets require either introducing artificial strain through unified lattice parameters or constructing prohibitively large supercells to accommodate the mismatch.These limitations have often deterred researchers from investigating large,mismatched interfaces,creating a gap in the understanding of these important systems.This work introduces an innovative algorithm that adaptively tunes the plane-wave basis sets to match the periodic structure of each material across the interface.By eliminating the need for extensive supercells or compromised lattice parameters,this new method reduces computational costs while retaining reliable results.The ability to efficiently calculate the eigen-energies of such mismatched systems,a crucial step for full density functional theory(DFT)calculations,is demonstrated with two dimensional versions of InAs/Si and SiC/Si interface potentials.展开更多
In this article,several cases are cited to demonstrate how foreign private equity firms circumvent Chinese government restrictions on capital flows and investing in strategic and sensitive sectors. Speci cally,private...In this article,several cases are cited to demonstrate how foreign private equity firms circumvent Chinese government restrictions on capital flows and investing in strategic and sensitive sectors. Speci cally,private equities investing in Chinese companies to be listed abroad can use the Red-chip,Sheng Da or overseas option models. Private equities investing in domestically-listed Chinese companies can resort to foreign-funded banks,underground banking,stock-holder borrowing,stocks held by the third party,equity bonds or local investment company purchases.展开更多
基金support of The Boeing Company,as part of the Boeing-Technion Sustainable Aviation Fuel Innovation CenterWe sincerely thank Boeing for their valuable support and collaboration.This project was also conducted within the framework of the Guy Sella Memorial Project at Technion,established by SolarEdge Technologies LTD.Partial funding from The Israeli Sustainable Aviation Fuel Knowledge Center–iSAF,supported by The Israeli Ministry of Innovation,Science,and Technology,is gratefully acknowledgedThis article is based upon work from COST IG18234(NanoCatML),supported by COST(European Cooperation in Science and Technology)http://www.cost.eu.
文摘A longstanding challenge in materials science has been the computational modeling of interfaces between materials with different lattice parameters.Traditional approaches using plane-wave basis sets require either introducing artificial strain through unified lattice parameters or constructing prohibitively large supercells to accommodate the mismatch.These limitations have often deterred researchers from investigating large,mismatched interfaces,creating a gap in the understanding of these important systems.This work introduces an innovative algorithm that adaptively tunes the plane-wave basis sets to match the periodic structure of each material across the interface.By eliminating the need for extensive supercells or compromised lattice parameters,this new method reduces computational costs while retaining reliable results.The ability to efficiently calculate the eigen-energies of such mismatched systems,a crucial step for full density functional theory(DFT)calculations,is demonstrated with two dimensional versions of InAs/Si and SiC/Si interface potentials.
文摘In this article,several cases are cited to demonstrate how foreign private equity firms circumvent Chinese government restrictions on capital flows and investing in strategic and sensitive sectors. Speci cally,private equities investing in Chinese companies to be listed abroad can use the Red-chip,Sheng Da or overseas option models. Private equities investing in domestically-listed Chinese companies can resort to foreign-funded banks,underground banking,stock-holder borrowing,stocks held by the third party,equity bonds or local investment company purchases.
