l-Benzoxepino(3, 4-b)quinolin-l3(6H)-one and its halogen,alkyl, alkoxy derivatives Va'-d' and 1-benzothiepino(3,4-b}-quinolin- 13 ( 6H)-one Vf, and its alkyl derivatives Vg, weresynthesized through cyclization...l-Benzoxepino(3, 4-b)quinolin-l3(6H)-one and its halogen,alkyl, alkoxy derivatives Va'-d' and 1-benzothiepino(3,4-b}-quinolin- 13 ( 6H)-one Vf, and its alkyl derivatives Vg, weresynthesized through cyclization of 2-(substituted phenoxymethyl)-3-quinolinecarboxylic acids Va-d and 2-[ (un)substituted phen-ylthiomethyll-3-quinolinecarboxylic acids IVf-g in the presence ofpolyphosphoric acid.The acids IV were obtained from the corresponding ethyl-esters @ whcih were prepared through refluxing ethyl 2-bromo-methyl-3-quinolinecarboxylate(1) with substituted phenol or (un)substituted thiophenol in the presence of NaOEt.The compound Vg, was allowed to react with NBS, KaBH4, NH2OH-HCl to give compounds VII , VIII, and IX, respectively.The structures of 24 new compounds have been confirmed by elemental analysis, IR and 1H NMR.展开更多
Accurate characterization of temperature-dependent thermoelectric properties(TEPs),such as thermal conductivity and the Seebeck coefficient,is essential for modeling and design of thermoelectric devices.However,nonlin...Accurate characterization of temperature-dependent thermoelectric properties(TEPs),such as thermal conductivity and the Seebeck coefficient,is essential for modeling and design of thermoelectric devices.However,nonlinear temperature dependence and coupled transport behavior make forward simulation and inverse identification challenging under sparse measurements.We present a physics-informed machine learning framework combining physics-informed neural networks(PINN)and neural operators(PINO)for solving forward and inverse problems in thermoelectric systems.PINN enables field reconstruction and property inference by embedding governing equations into the loss function,while PINO generalizes across materials without retraining.Trained on simulated data for 20 p-type materials and tested on 60 unseen materials,PINO accurately infers TEPs using only sparse temperature and voltage data.This framework provides a scalable,dataefficient,and generalizable solution for thermoelectric property identification,facilitating highthroughput screening and inverse design of advanced thermoelectric materials.展开更多
文摘l-Benzoxepino(3, 4-b)quinolin-l3(6H)-one and its halogen,alkyl, alkoxy derivatives Va'-d' and 1-benzothiepino(3,4-b}-quinolin- 13 ( 6H)-one Vf, and its alkyl derivatives Vg, weresynthesized through cyclization of 2-(substituted phenoxymethyl)-3-quinolinecarboxylic acids Va-d and 2-[ (un)substituted phen-ylthiomethyll-3-quinolinecarboxylic acids IVf-g in the presence ofpolyphosphoric acid.The acids IV were obtained from the corresponding ethyl-esters @ whcih were prepared through refluxing ethyl 2-bromo-methyl-3-quinolinecarboxylate(1) with substituted phenol or (un)substituted thiophenol in the presence of NaOEt.The compound Vg, was allowed to react with NBS, KaBH4, NH2OH-HCl to give compounds VII , VIII, and IX, respectively.The structures of 24 new compounds have been confirmed by elemental analysis, IR and 1H NMR.
基金supported by the National Research Foundation of Korea(NRF)(No.RS-2023-00222166 and No.RS-2023-00247245)the InnoCORE program(No.N10250154),both funded by the Korean government(MSIT).
文摘Accurate characterization of temperature-dependent thermoelectric properties(TEPs),such as thermal conductivity and the Seebeck coefficient,is essential for modeling and design of thermoelectric devices.However,nonlinear temperature dependence and coupled transport behavior make forward simulation and inverse identification challenging under sparse measurements.We present a physics-informed machine learning framework combining physics-informed neural networks(PINN)and neural operators(PINO)for solving forward and inverse problems in thermoelectric systems.PINN enables field reconstruction and property inference by embedding governing equations into the loss function,while PINO generalizes across materials without retraining.Trained on simulated data for 20 p-type materials and tested on 60 unseen materials,PINO accurately infers TEPs using only sparse temperature and voltage data.This framework provides a scalable,dataefficient,and generalizable solution for thermoelectric property identification,facilitating highthroughput screening and inverse design of advanced thermoelectric materials.
