Obtaining an electrocorticograms(ECoG)signal requires an invasive procedure in which brain activity is recorded from the cortical surface.In contrast,obtaining electroencephalograms(EEG)recordings requires the non-inv...Obtaining an electrocorticograms(ECoG)signal requires an invasive procedure in which brain activity is recorded from the cortical surface.In contrast,obtaining electroencephalograms(EEG)recordings requires the non-invasive procedure of recording the brain activity from the scalp surface,which allows EEG recordings to be performed more easily on healthy humans.In this work,a technique previously used to study spatial-temporal patterns of brain activity on animal ECoG was adapted for use on EEG.The main issues are centered on solving the problems introduced by the increment on the interelectrode distance and the procedure to detect stable frames.The results showed that spatial patterns of beta and gamma activity can also be extracted from the EEG signal by using stable frames as time markers for feature extraction.This adapted technique makes it possible to take advantage of the cognitive and phenomenological awareness of a normal healthy subject.展开更多
Rechargeable magnesium batteries(RMBs)hold promise for offering higher volumetric energy density and safety features,attracting increasing research interest as the next post lithium-ion batteries.Developing high perfo...Rechargeable magnesium batteries(RMBs)hold promise for offering higher volumetric energy density and safety features,attracting increasing research interest as the next post lithium-ion batteries.Developing high performance cathode material by inducing multi-electron reaction process as well as maintaining structural stability is the key to the development and application of RMBs.Herein,multielectron reaction occurred in VS_(4)by simple W doping strategy.W doping induces valence of partial V as V^(2+)and V^(3+)in VS_(4)structure,and then stimulates electrochemical reaction involving multi-electrons in 0.5%W-V-S.The flower-like microsphere morphology as well as rich S vacancies is also modulated by W doping to neutralize structure change in such multi-electron reaction process.The fabricated 0.5%W-V-S delivers higher specific capacity(149.3 m A h g^(-1)at 50 m A g^(-1),which is 1.6 times higher than that of VS_(4)),superior rate capability(76 mA h g^(-1)at 1000 mA g^(-1)),and stable cycling performance(1500cycles with capacity retention ratio of 93.8%).Besides that,pesudocapaticance-like contribution analysis as well as galvanostatic intermittent titration technique(GITT)further confirms the enhanced Mg^(2+)storage kinetics during such multi-electron involved electrochemical reaction process.Such discovery provides new insights into the designing of multi-electron reaction process in cathode as well as neutralizing structural change during such reaction for realizing superior electrochemical performance in energy storage devices.展开更多
The structural stability and magnetic properties of the icosahedral Ni13, Ni13^＋1 and Ni13^-1 clusters have been obtained by utilizing all-electron density functional theory with the generalized gradient approximatio...The structural stability and magnetic properties of the icosahedral Ni13, Ni13^＋1 and Ni13^-1 clusters have been obtained by utilizing all-electron density functional theory with the generalized gradient approximations for the exchange-correlation energy. The calculated results show that the ground states of neutral and charged clusters all favour a D3d structure, a distorted icosahedron, due to the Jahn-Teller effect. The radial distortions caused by doping one electron and by doping one hole are opposite to each other. Doping one electron will result in a 1/2 decrease and doping one hole will result in a 1/2 increase of the total spin. Both increasing interatomic spacing and decreasing coordination will lead to an enhancement of the spin magnetic moments for Nil3 clusters.展开更多
The food sources of aquacultured Apostichopus japonicus and the trophic levels of organisms in a sea cucumber（A. japonicus） and prawn（Penaeus japonica） polyculture system in a saltwater pond in Zhuanghe, Liaoning ...The food sources of aquacultured Apostichopus japonicus and the trophic levels of organisms in a sea cucumber（A. japonicus） and prawn（Penaeus japonica） polyculture system in a saltwater pond in Zhuanghe, Liaoning Province were examined using carbon and nitrogen stable isotopes. Across organisms, δ13C ranged from（–25.47±0.20）‰ to（–16.48±0.17）‰（mean±SD）, and δ15N ranged from（4.23±0.49）‰ to（12.44±0.09）‰. The δ13C and δ15N contents of A. japonicus, P. japonica and Fenneropenaeus chinensis were comparatively higher than those of other organisms. Values of δ13C and δ15N revealed that P. japonica, Hemigrapsus sanguineus and Neomysis japonica comprised the largest component of the diet of A. japonicus. The mean trophic level of the organisms in this saltwater pond polyculture system was（2.75±0.08）. P. japonica, A. japonicus, F. chinensis,Synechogobius hasta and Neomysis japonica were in the 3rd trophic level（2–3）; jellyfish, H. sanguineus and zooplankton were in the 2nd trophic level（1–2）; and Enteromorpha prolifera, benthic microalgae, periphyton and suspended matter primarily consisting of phytoplankton, bacteria and humus were in the primary trophic level（0–1）.展开更多
Global optimization of crystal compositions is a significant yet computationally intensive method to identify stable structures within chemical space.The specific physical properties linked to a threedimensional atomi...Global optimization of crystal compositions is a significant yet computationally intensive method to identify stable structures within chemical space.The specific physical properties linked to a threedimensional atomic arrangement make this an essential task in the development of new materials.We present a method that efficiently uses active learning of neural network force fields for structure relaxation,minimizing the required number of steps in the process.This is achieved by neural network force fields equipped with uncertainty estimation,which iteratively guide a pool of randomly generated candidates toward their respective local minima.Using this approach,we are able to effectively identify themost promising candidates for further evaluation using density functional theory(DFT).Our method not only reliably reduces computational costs by up to two orders of magnitude across the benchmark systemsSi_(16),Na_(8)Cl_(8),Ga_(8)As_(8)and Al_(4)O_(6)but also excels in finding themost stable minimum for the unseen,more complex systems Si46 and Al16O24.Moreover,we demonstrate at the example of Si_(16)that our method can find multiple relevant local minima while only adding minor computational effort.展开更多
Due to the dependence of the chemical and physical properties of the bimetallic nanoparticles（NPs） on their structures,a fundamental understanding of their structural characteristics is crucial for their syntheses a...Due to the dependence of the chemical and physical properties of the bimetallic nanoparticles（NPs） on their structures,a fundamental understanding of their structural characteristics is crucial for their syntheses and wide applications. In this article, a systematical atomic-level investigation of Au–Pd bimetallic NPs is conducted by using the improved particle swarm optimization（IPSO） with quantum correction Sutton–Chen potentials（Q-SC） at different Au/Pd ratios and different sizes. In the IPSO, the simulated annealing is introduced into the classical particle swarm optimization（PSO） to improve the effectiveness and reliability. In addition, the influences of initial structure, particle size and composition on structural stability and structural features are also studied. The simulation results reveal that the initial structures have little effects on the stable structures, but influence the converging rate greatly, and the convergence rate of the mixing initial structure is clearly faster than those of the core-shell and phase structures. We find that the Au–Pd NPs prefer the structures with Au-rich in the outer layers while Pd-rich in the inner ones. Especially, when the Au/Pd ratio is 6：4, the structure of the nanoparticle（NP） presents a standardized Pd（core） Au（shell） structure.展开更多
The acquisition of polymer-grade(≥99.95%)C_(2)H_(4) poses a challenge due to the presence of ethane(C_(2)H_(6))having similar physical and chemical properties.Consequently,the one-step purification of C_(2)H_(4) beco...The acquisition of polymer-grade(≥99.95%)C_(2)H_(4) poses a challenge due to the presence of ethane(C_(2)H_(6))having similar physical and chemical properties.Consequently,the one-step purification of C_(2)H_(4) becomes a crucial and demanding process.In this study,we synthesized ZIF-78 with a GME configuration using different metal sources(Zn,Co).Both substances have been identified as ethane-selective adsorbents with excellent thermal stability.The Brunauer Emmett Teller(BET)surface area of ZIF-78-Co(748 m^(2)/g)surpasses that of ZIF-78-Zn(585 m^(2)/g),and the former exhibits a higher Q_(st) value for C_(2)H_(6),resulting in enhanced adsorption capacity for C_(2)H_(6)(50.61 cm^(3)/g)and selectivity for C_(2)H_(6)/C_(2)H_(4)(1.71)compared to ZIF-78-Zn(48.97 cm^(3)/g,1.46)at 298 K and 1 bar.Grand Canonical Monte Carlo(GCMC)calculations indicate that C_(2)H_(6) has a stronger interaction with the ZIF-78-Co framework.Breakthrough experiments for the C_(2)H_(6)/C_(2)H_(4)(50:50,V/V)mixture at 298 K and 1 bar demonstrate that ZIF-78-Co achieves separation in approximately 5 min/g,outperforming ZIF-78-Zn.And the separation time for ZIF-78-Co in the C_(2)H_(6)/C_(2)H_(4)(10:90,V/V)mixture is 9 min/g.Furthermore,ZIF-78-Co exhibits excellent structural stability,thermal stability,water stability,and acid-base stability.Therefore,it holds promising prospects for practical industrial separation.Additionally,we hope that our findings inspire further experimentation on alternative metal ethane adsorbents.展开更多
A dpoamic deecription of the marked disparity in economic developmentbetween China' s Middle-West Resion and Along-Coast Resion is presented.Some qualitative investigation is siven to the expected prospects of the...A dpoamic deecription of the marked disparity in economic developmentbetween China' s Middle-West Resion and Along-Coast Resion is presented.Some qualitative investigation is siven to the expected prospects of the Middle-West Resion with some preliminary stratesic suggestions proposed.展开更多
Similar material simulation test W9-15 101 fully mechanized caving face with was carried out in a geological model of large mining height in the Liuhuanggou Colliery, in Xinjiang Uigur Autonomous Region. The roof over...Similar material simulation test W9-15 101 fully mechanized caving face with was carried out in a geological model of large mining height in the Liuhuanggou Colliery, in Xinjiang Uigur Autonomous Region. The roof overlying strata movement law in the stope of a fully mechanized caving face with large mining height was studied and show that the roof overlying strata in the stope of a fully mechanized caving face with large mining height can be formed into a stable arch structure; the fracture rock beam is formed resembling a ＂bond beam＂, but it has essentially the structure of ＂multi-span beams＂ under the big structure of the stable arch. The roof overlying strata movement law in the stope of a fully mechanized caving face with large mining height is similar to that of the common, fully mechanized caving stope, which is determined by the deformation and instability of the structure of ＂multi-span beams＂. But because of the differences between the mining heights, the peak pressure in the stope of a fully mechanized caving face with large mining height is smaller while the affected area of abutment pressure is wider in the front of the working face; this is the obvious difference in abutment pressure between the stope of a fully mechanized caving face with large mining height and that of the common.展开更多
The elTcct of different dimension stabilization treatments on the dimension stability of SiC_(p)/Al composites were investigated by the measurement of microyield strength,microcreep properties,dimension,residual stres...The elTcct of different dimension stabilization treatments on the dimension stability of SiC_(p)/Al composites were investigated by the measurement of microyield strength,microcreep properties,dimension,residual stress and analyses of transmission electron microscopy.Results show that the heat cycle dimension stabilization techniques could efficiently decrease the residual stress,stabilize the dimension change,and increase resistance to microplastic deformation.The main reason was that the heat cycle dimension stabilization techniques might form stable dislocation structure in the SiC_(p)/A1 composites.展开更多
Developing materials with ultrahigh thermal conductivity is crucial for thermal management and energy conversion.The recent development of generative models and machine learning(ML)holds great promise for predicting n...Developing materials with ultrahigh thermal conductivity is crucial for thermal management and energy conversion.The recent development of generative models and machine learning(ML)holds great promise for predicting new functional materials.However,these data-driven methods are not tailored to identifying energetically stable structures and accurately predicting their thermal properties,as they lack physical constraints and information about the complexity of atomic many-body interactions.Here,we show how combining deep generative models of crystal structures with quantum-accurate,fast ML interatomic potentials can accelerate the prediction of materials with ultrahigh lattice thermal conductivity while ensuring energy optimality.We exploit structural symmetry and similarity metrics derived from atomic coordination environments to enable fast exploration of the structural space produced by the generative model.Additionally,we propose an active-learning-based protocol for the on-the-fly training of ML potentials to achieve high-fidelity predictions of stability and lattice thermal conductivity in prospective materials.Applying this method to carbon materials,we screen 100,000 candidates and identify 34 carbon polymorphs,approximately a quarter of which had not been previously predicted,to have lattice thermal conductivity above 800 W m^(−1)K^(−1),reaching up to 2,400 W m^(−1)K^(−1)aside from diamond.These findings provide a viable pathway toward the ML-assisted prediction of periodic materials with exceptional thermal properties.展开更多
We give a characterization of structurally stable diffeomorphisms by making use of the notion of LP-shadowing property. More precisely, we prove that the set of structurally stable diffeomorphisms coincides with the C...We give a characterization of structurally stable diffeomorphisms by making use of the notion of LP-shadowing property. More precisely, we prove that the set of structurally stable diffeomorphisms coincides with the C1-interior of the set of diffeomorphisms having LP-shadowing property.展开更多
基金supported by the National Natural Science Foundation of China(Nos.60421002 and 60874098)the National High-Tech Research and Development Program(863)of China(No.2007AA042103)
文摘Obtaining an electrocorticograms(ECoG)signal requires an invasive procedure in which brain activity is recorded from the cortical surface.In contrast,obtaining electroencephalograms(EEG)recordings requires the non-invasive procedure of recording the brain activity from the scalp surface,which allows EEG recordings to be performed more easily on healthy humans.In this work,a technique previously used to study spatial-temporal patterns of brain activity on animal ECoG was adapted for use on EEG.The main issues are centered on solving the problems introduced by the increment on the interelectrode distance and the procedure to detect stable frames.The results showed that spatial patterns of beta and gamma activity can also be extracted from the EEG signal by using stable frames as time markers for feature extraction.This adapted technique makes it possible to take advantage of the cognitive and phenomenological awareness of a normal healthy subject.
基金supported by the National Natural Science Foundation of China under Grant No.52072196,52002200,52102106,52202262,22379081,and 22379080Major Basic Research Program of the Natural Science Foundation of Shandong Province under Grant No.ZR2020ZD09+1 种基金the Natural Science Foundation of Shandong Province under Grant No.ZR2020QE063,ZR202108180009,ZR2023QE059the Postdoctoral Program in Qingdao under No.QDBSH20220202019。
文摘Rechargeable magnesium batteries(RMBs)hold promise for offering higher volumetric energy density and safety features,attracting increasing research interest as the next post lithium-ion batteries.Developing high performance cathode material by inducing multi-electron reaction process as well as maintaining structural stability is the key to the development and application of RMBs.Herein,multielectron reaction occurred in VS_(4)by simple W doping strategy.W doping induces valence of partial V as V^(2+)and V^(3+)in VS_(4)structure,and then stimulates electrochemical reaction involving multi-electrons in 0.5%W-V-S.The flower-like microsphere morphology as well as rich S vacancies is also modulated by W doping to neutralize structure change in such multi-electron reaction process.The fabricated 0.5%W-V-S delivers higher specific capacity(149.3 m A h g^(-1)at 50 m A g^(-1),which is 1.6 times higher than that of VS_(4)),superior rate capability(76 mA h g^(-1)at 1000 mA g^(-1)),and stable cycling performance(1500cycles with capacity retention ratio of 93.8%).Besides that,pesudocapaticance-like contribution analysis as well as galvanostatic intermittent titration technique(GITT)further confirms the enhanced Mg^(2+)storage kinetics during such multi-electron involved electrochemical reaction process.Such discovery provides new insights into the designing of multi-electron reaction process in cathode as well as neutralizing structural change during such reaction for realizing superior electrochemical performance in energy storage devices.
基金Project supported by the National Natural Science Foundation of China （Grant Nos 10574036 and 10574037）. and the Hebei Natural Science Foundation （Grant Nos A2004000141 and 2005000143）.
文摘The structural stability and magnetic properties of the icosahedral Ni13, Ni13^＋1 and Ni13^-1 clusters have been obtained by utilizing all-electron density functional theory with the generalized gradient approximations for the exchange-correlation energy. The calculated results show that the ground states of neutral and charged clusters all favour a D3d structure, a distorted icosahedron, due to the Jahn-Teller effect. The radial distortions caused by doping one electron and by doping one hole are opposite to each other. Doping one electron will result in a 1/2 decrease and doping one hole will result in a 1/2 increase of the total spin. Both increasing interatomic spacing and decreasing coordination will lead to an enhancement of the spin magnetic moments for Nil3 clusters.
基金The National Marine Public Welfare Project of China under contract No.201305005
文摘The food sources of aquacultured Apostichopus japonicus and the trophic levels of organisms in a sea cucumber（A. japonicus） and prawn（Penaeus japonica） polyculture system in a saltwater pond in Zhuanghe, Liaoning Province were examined using carbon and nitrogen stable isotopes. Across organisms, δ13C ranged from（–25.47±0.20）‰ to（–16.48±0.17）‰（mean±SD）, and δ15N ranged from（4.23±0.49）‰ to（12.44±0.09）‰. The δ13C and δ15N contents of A. japonicus, P. japonica and Fenneropenaeus chinensis were comparatively higher than those of other organisms. Values of δ13C and δ15N revealed that P. japonica, Hemigrapsus sanguineus and Neomysis japonica comprised the largest component of the diet of A. japonicus. The mean trophic level of the organisms in this saltwater pond polyculture system was（2.75±0.08）. P. japonica, A. japonicus, F. chinensis,Synechogobius hasta and Neomysis japonica were in the 3rd trophic level（2–3）; jellyfish, H. sanguineus and zooplankton were in the 2nd trophic level（1–2）; and Enteromorpha prolifera, benthic microalgae, periphyton and suspended matter primarily consisting of phytoplankton, bacteria and humus were in the primary trophic level（0–1）.
基金N.W.A.G.and M.G.contributed to this research while working at the BASLEARN-TU Berlin/BASF Joint Lab for Machine Learning,co-financed by TU Berlin and BASF SE.K.T.S.contributed to this research while working at TU Berlin and BIFOLD with grant number 01IS18037Asupported by JSPS KAKENHI Grant Number JP23H05457 and by JST-CREST Grant Number JPMJCR22O2.We thank Jonas Lederer and Klaus-Robert Müller for insightful discussions and feedback.
文摘Global optimization of crystal compositions is a significant yet computationally intensive method to identify stable structures within chemical space.The specific physical properties linked to a threedimensional atomic arrangement make this an essential task in the development of new materials.We present a method that efficiently uses active learning of neural network force fields for structure relaxation,minimizing the required number of steps in the process.This is achieved by neural network force fields equipped with uncertainty estimation,which iteratively guide a pool of randomly generated candidates toward their respective local minima.Using this approach,we are able to effectively identify themost promising candidates for further evaluation using density functional theory(DFT).Our method not only reliably reduces computational costs by up to two orders of magnitude across the benchmark systemsSi_(16),Na_(8)Cl_(8),Ga_(8)As_(8)and Al_(4)O_(6)but also excels in finding themost stable minimum for the unseen,more complex systems Si46 and Al16O24.Moreover,we demonstrate at the example of Si_(16)that our method can find multiple relevant local minima while only adding minor computational effort.
基金supported by the National Natural Science Foundation of China(Grant Nos.11474234 and 61403318)the Fundamental Research Funds for the Central Universities of China(Grant No.20720160085)
文摘Due to the dependence of the chemical and physical properties of the bimetallic nanoparticles（NPs） on their structures,a fundamental understanding of their structural characteristics is crucial for their syntheses and wide applications. In this article, a systematical atomic-level investigation of Au–Pd bimetallic NPs is conducted by using the improved particle swarm optimization（IPSO） with quantum correction Sutton–Chen potentials（Q-SC） at different Au/Pd ratios and different sizes. In the IPSO, the simulated annealing is introduced into the classical particle swarm optimization（PSO） to improve the effectiveness and reliability. In addition, the influences of initial structure, particle size and composition on structural stability and structural features are also studied. The simulation results reveal that the initial structures have little effects on the stable structures, but influence the converging rate greatly, and the convergence rate of the mixing initial structure is clearly faster than those of the core-shell and phase structures. We find that the Au–Pd NPs prefer the structures with Au-rich in the outer layers while Pd-rich in the inner ones. Especially, when the Au/Pd ratio is 6：4, the structure of the nanoparticle（NP） presents a standardized Pd（core） Au（shell） structure.
基金supported by the National Key R&D Program of China(2022YFB3806800)the National Natural Science Foundation of China(22278288,22278287)the research project supported by the Shanxi Scholarship Council of China(2021-053).
文摘The acquisition of polymer-grade(≥99.95%)C_(2)H_(4) poses a challenge due to the presence of ethane(C_(2)H_(6))having similar physical and chemical properties.Consequently,the one-step purification of C_(2)H_(4) becomes a crucial and demanding process.In this study,we synthesized ZIF-78 with a GME configuration using different metal sources(Zn,Co).Both substances have been identified as ethane-selective adsorbents with excellent thermal stability.The Brunauer Emmett Teller(BET)surface area of ZIF-78-Co(748 m^(2)/g)surpasses that of ZIF-78-Zn(585 m^(2)/g),and the former exhibits a higher Q_(st) value for C_(2)H_(6),resulting in enhanced adsorption capacity for C_(2)H_(6)(50.61 cm^(3)/g)and selectivity for C_(2)H_(6)/C_(2)H_(4)(1.71)compared to ZIF-78-Zn(48.97 cm^(3)/g,1.46)at 298 K and 1 bar.Grand Canonical Monte Carlo(GCMC)calculations indicate that C_(2)H_(6) has a stronger interaction with the ZIF-78-Co framework.Breakthrough experiments for the C_(2)H_(6)/C_(2)H_(4)(50:50,V/V)mixture at 298 K and 1 bar demonstrate that ZIF-78-Co achieves separation in approximately 5 min/g,outperforming ZIF-78-Zn.And the separation time for ZIF-78-Co in the C_(2)H_(6)/C_(2)H_(4)(10:90,V/V)mixture is 9 min/g.Furthermore,ZIF-78-Co exhibits excellent structural stability,thermal stability,water stability,and acid-base stability.Therefore,it holds promising prospects for practical industrial separation.Additionally,we hope that our findings inspire further experimentation on alternative metal ethane adsorbents.
文摘A dpoamic deecription of the marked disparity in economic developmentbetween China' s Middle-West Resion and Along-Coast Resion is presented.Some qualitative investigation is siven to the expected prospects of the Middle-West Resion with some preliminary stratesic suggestions proposed.
基金Supported by National Natural Science Fundation of China(50674045)
文摘Similar material simulation test W9-15 101 fully mechanized caving face with was carried out in a geological model of large mining height in the Liuhuanggou Colliery, in Xinjiang Uigur Autonomous Region. The roof overlying strata movement law in the stope of a fully mechanized caving face with large mining height was studied and show that the roof overlying strata in the stope of a fully mechanized caving face with large mining height can be formed into a stable arch structure; the fracture rock beam is formed resembling a ＂bond beam＂, but it has essentially the structure of ＂multi-span beams＂ under the big structure of the stable arch. The roof overlying strata movement law in the stope of a fully mechanized caving face with large mining height is similar to that of the common, fully mechanized caving stope, which is determined by the deformation and instability of the structure of ＂multi-span beams＂. But because of the differences between the mining heights, the peak pressure in the stope of a fully mechanized caving face with large mining height is smaller while the affected area of abutment pressure is wider in the front of the working face; this is the obvious difference in abutment pressure between the stope of a fully mechanized caving face with large mining height and that of the common.
文摘The elTcct of different dimension stabilization treatments on the dimension stability of SiC_(p)/Al composites were investigated by the measurement of microyield strength,microcreep properties,dimension,residual stress and analyses of transmission electron microscopy.Results show that the heat cycle dimension stabilization techniques could efficiently decrease the residual stress,stabilize the dimension change,and increase resistance to microplastic deformation.The main reason was that the heat cycle dimension stabilization techniques might form stable dislocation structure in the SiC_(p)/A1 composites.
基金supported by the National Natural Science Foundation of China(Nos.52425601,52250273,52327809,U20A20301,and 82361138571)National Key Research and Development Program of China(No.2023YFB4404104)Beijing Natural Science Foundation(No.L233022).
文摘Developing materials with ultrahigh thermal conductivity is crucial for thermal management and energy conversion.The recent development of generative models and machine learning(ML)holds great promise for predicting new functional materials.However,these data-driven methods are not tailored to identifying energetically stable structures and accurately predicting their thermal properties,as they lack physical constraints and information about the complexity of atomic many-body interactions.Here,we show how combining deep generative models of crystal structures with quantum-accurate,fast ML interatomic potentials can accelerate the prediction of materials with ultrahigh lattice thermal conductivity while ensuring energy optimality.We exploit structural symmetry and similarity metrics derived from atomic coordination environments to enable fast exploration of the structural space produced by the generative model.Additionally,we propose an active-learning-based protocol for the on-the-fly training of ML potentials to achieve high-fidelity predictions of stability and lattice thermal conductivity in prospective materials.Applying this method to carbon materials,we screen 100,000 candidates and identify 34 carbon polymorphs,approximately a quarter of which had not been previously predicted,to have lattice thermal conductivity above 800 W m^(−1)K^(−1),reaching up to 2,400 W m^(−1)K^(−1)aside from diamond.These findings provide a viable pathway toward the ML-assisted prediction of periodic materials with exceptional thermal properties.
文摘We give a characterization of structurally stable diffeomorphisms by making use of the notion of LP-shadowing property. More precisely, we prove that the set of structurally stable diffeomorphisms coincides with the C1-interior of the set of diffeomorphisms having LP-shadowing property.
