Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food mater...Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identifi cation;cell-cultured meat,regulations and standards.展开更多
Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food mater...Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.展开更多
Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food mater...Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.展开更多
A study recently published in Scientific Reports shows that fibers from agricultural waste can make 3D-printed concrete stronger and more environmen-tally friendly.This approach not only gives new life to organic wast...A study recently published in Scientific Reports shows that fibers from agricultural waste can make 3D-printed concrete stronger and more environmen-tally friendly.This approach not only gives new life to organic waste but also helps address the environmental issues linked to traditional building materials.The research found that adding natural fibers improves both the strength and the printability of concrete,offering a more efficient and eco-friendly option for modern construction.展开更多
From the club-like limbs of the mantis shrimp to the texture of a cicada's wing,recently reported studies of the structures found in living creatures are fostering innovations in synthetic materials.The work shows...From the club-like limbs of the mantis shrimp to the texture of a cicada's wing,recently reported studies of the structures found in living creatures are fostering innovations in synthetic materials.The work shows how biological research can underpin the development of novel materials that adopt key attributes or functions of natural substances with the goal of applying them in improved,often high-technology products[1].展开更多
Food Science of Animal Products(ISSN: 2958-4124,e-ISSN : 2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food ma...Food Science of Animal Products(ISSN: 2958-4124,e-ISSN : 2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.展开更多
Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food mater...Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.展开更多
Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food mater...Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.展开更多
In magnetic topological materials,the interplay between magnetism and nontrivial topology gives rise to exotic quantum transport phenomena,including the anomalous Hall effect and anomalous Nernst effect.Here,we report...In magnetic topological materials,the interplay between magnetism and nontrivial topology gives rise to exotic quantum transport phenomena,including the anomalous Hall effect and anomalous Nernst effect.Here,we report the observation of intrinsic topological Hall and topological Nernst effects below the Néel temperature(T_(N)=25 K)in the antiferromagnetic(AFM)topological insulator Mn Bi_(2)Te_(4).The maximum of topological Hall resistivity reaches approximately 9μΩ·cm at 2 K,while the topological Nernst signal attains a peak value of 0.1μV/K near 10 K.These anomalous transport behaviors originate from the net Berry curvature induced by the non-collinear spin structure in the canted AFM state.Our results suggest a close connection between the topological thermoelectric effect and non-collinear AFM order in AFM topological insulators.展开更多
Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food mater...Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.展开更多
Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food mater...Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.展开更多
During the organization of original photographic materials,the authors identified that the image labeled"OE-2"in Figure 1A had been erroneously replaced with another tillering phenotype-related plant image c...During the organization of original photographic materials,the authors identified that the image labeled"OE-2"in Figure 1A had been erroneously replaced with another tillering phenotype-related plant image captured simultaneously from the same directory.This substitution resulted in the incorrect incorporation of the"OE-2"image during the composite figure assembly process.展开更多
High-linearity electro-optic(EO)modulators play a crucial role in microwave photonics(MWP).Although various methods have been explored to enhance linearity in MWP links,they are often constrained by the intrinsic nonl...High-linearity electro-optic(EO)modulators play a crucial role in microwave photonics(MWP).Although various methods have been explored to enhance linearity in MWP links,they are often constrained by the intrinsic nonlinearity of modulator materials,the complexity of external control devices,the bulkiness of structures,and bandwidth limitations.In this study,we present an integrated thin-film lithium niobate(TFLN)linear Mach–Zehnder modulator(LMZM),showing,to our knowledge,a record-high spurious-free dynamic range(SFDR)of 121.7 dB·Hz^(4∕5)at 1 GHz with an optical power(OP)of 5.5 dBm into the photodetector(PD),based on a widebandwidth(>50 GHz)dual-optical-mode(TE0 and TE1)co-modulated configuration with just one RF input.Additionally,compared to conventional MZMs(CMZMs),the LMZM exhibits a>10.6-dB enhancement in SFDR with an OP of>−8 dBm at 1 GHz,and maintains a 6.07-dB SFDR improvement even at 20 GHz with an OP of 0 dBm.The novel LMZM,featuring high linearity,wide bandwidth,structural simplicity,and high integration,holds significant potential as a key component in future large-scale and high-performance MWP integrated circuits.展开更多
In this work,a multi-stage material design framework combining machine learning techniques with density functional theory is established to reveal the mechanism of phase stabilization in HfO_(2)based ferroelectric mat...In this work,a multi-stage material design framework combining machine learning techniques with density functional theory is established to reveal the mechanism of phase stabilization in HfO_(2)based ferroelectric materials.The ferroelectric phase fractions based on a more stringent relationship of phase energy differences is proposed as an evaluation criterion for the ferroelectric performance of hafnium-based materials.Based on the Boltzmann distribution theory,the abstract phase energy difference is converted into an intuitive phase fraction distribution mapping.A large-scale prediction of unknown dopants is conducted within the material design framework,and gallium(Ga)is identified as a new dopant for HfO_(2).Both experiments and density functional theory calculations demonstrate that Ga is an excellent dopant for ferroelectric hafnium oxide,especially,the experimentally determined variation trends of ferroelectric phase fraction and polarization properties with Ga doping concentration are in good agreement with the predictions given by machine learning.This work provides a new perspective from machine learning to deepen the understanding of the ferroelectric properties of HfO_(2)materials,offering fresh insights into the design and performance prediction of HfO_(2)ferroelectric thin films.展开更多
High Entropy Alloys(HEAs)have drawn great interest due to their exceptional properties compared to conventional materials.The configuration of HEA system is considered a key to their superior properties,but exhausting...High Entropy Alloys(HEAs)have drawn great interest due to their exceptional properties compared to conventional materials.The configuration of HEA system is considered a key to their superior properties,but exhausting all possible configurations of atom coordinates and species to find the ground energy state is extremely challenging.In this work,we proposed a quantum annealingassisted lattice optimization(QALO)algorithm,which is an active learning framework that integrates the Field-aware Factorization Machine(FFM)as the surrogate model for lattice energy prediction,Quantum Annealing(QA)as an optimizer and Machine Learning Potential(MLP)for ground truth energy calculation.By applying our algorithm to the NbMoTaWalloy,we reproduced the Nb depletion andWenrichment observed in bulk HEA.We found our optimized HEAs to have superior mechanical properties compared to the randomly generated alloy configurations.Our algorithm highlights the potential of quantum computing in materials design and discovery,laying a foundation for further exploring and optimizing structure-property relationships.展开更多
Materials and chemical scientists have tirelessly pursued the vision of creating atomically tailored materials.The promise of atomic precision in material synthesis lies in the potential to precisely control every asp...Materials and chemical scientists have tirelessly pursued the vision of creating atomically tailored materials.The promise of atomic precision in material synthesis lies in the potential to precisely control every aspect of a material's structure,thereby opening up opportunities for discovering and tuning novel physical properties[1].However,achieving atomically precise assemblies in practice remains a formidable challenge,largely due to the difficulty of controlling nucleation and growth processes at the most fundamental scale.展开更多
To enhance the power conversion efficiency(PCE)of organic photovoltaic(OPV)cells,the identification of high-performance polymer/macromolecule materials and understanding their relationship with photovoltaic performanc...To enhance the power conversion efficiency(PCE)of organic photovoltaic(OPV)cells,the identification of high-performance polymer/macromolecule materials and understanding their relationship with photovoltaic performance before synthesis are critical objectives.In this study,we developed five algorithms using a dataset of 1343 experimentally validated OPV NFA acceptor materials.The random forest(RF)algorithm exhibited the best predictive performance for material design and screening.Additionally,we explored a newly developed polymer/macromolecule structure expression,polymer-unit fingerprint(PUFp),which outperformed the molecular access system(MACCS)across diverse machine learning(ML)algorithms.PUFp facilitated the interpretability of structure-property relationships,enabling PCE predictions of conjugated polymers/macromolecules formed by the combination of donor(D)and acceptor(A)units.Our PUFp-ML model efficiently preevaluated and classified numerous acceptor materials,identifying and screening the two most promising NFA candidates.The proposed framework demonstrates the ability to design novel materials based on PUFp-ML-established feature/substructure-property relationships,providing rational design guidelines for developing high-performanceOPV acceptors.These methodologies are transferable to donor materials,thereby supporting accelerated material discovery and offering insights for designing innovative OPV materials.展开更多
Spin-orbit coupling is an important ingredient to regulate the many-body physics,especially for many spin liquid candidate materials such as rare-earth magnets and Kitaev materials.The rare-earth chalcogenides NaYbCh_...Spin-orbit coupling is an important ingredient to regulate the many-body physics,especially for many spin liquid candidate materials such as rare-earth magnets and Kitaev materials.The rare-earth chalcogenides NaYbCh_(2)(Ch=O,S,Se)is a congenital frustrating system to exhibit the intrinsic landmark of spin liquid by eliminating both the site disorders between Na+and Yb^(3+)ions with the big ionic size difference and the Dzyaloshinskii-Moriya interaction with the perfect triangular lattice of the Yb^(3+)ions.The temperature versus magnetic-field phase diagram is established by the magnetization,specific heat,and neutron-scattering measurements.Notably,the neutron diffraction spectra and the magnetization curve might provide microscopic evidence for a series of spin configuration for in-plane fields,which include the disordered spin liquid state,120°antiferromagnet,and one-half magnetization state.Furthermore,the ground state is suggested to be a gapless spin liquid from inelastic neutron scattering,and the magnetic field adjusts the spin orbit coupling.Therefore,the strong spin-orbit coupling in the frustrated quantum magnet substantially enriches low-energy spin physics.This rare-earth family could offer a good platform for exploring the quantum spin liquid ground state and quantum magnetic transitions.展开更多
文摘Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identifi cation;cell-cultured meat,regulations and standards.
文摘Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.
文摘Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.
文摘A study recently published in Scientific Reports shows that fibers from agricultural waste can make 3D-printed concrete stronger and more environmen-tally friendly.This approach not only gives new life to organic waste but also helps address the environmental issues linked to traditional building materials.The research found that adding natural fibers improves both the strength and the printability of concrete,offering a more efficient and eco-friendly option for modern construction.
文摘From the club-like limbs of the mantis shrimp to the texture of a cicada's wing,recently reported studies of the structures found in living creatures are fostering innovations in synthetic materials.The work shows how biological research can underpin the development of novel materials that adopt key attributes or functions of natural substances with the goal of applying them in improved,often high-technology products[1].
文摘Food Science of Animal Products(ISSN: 2958-4124,e-ISSN : 2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.
文摘Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.
文摘Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.
基金supported in part by the Natural Science Foundation of China(Grant No.U1932155)the Hangzhou Joint Fund of the Zhejiang Provincial Natural Science Foundation of China(Grant No.LHZSZ24A040001)+4 种基金the National Key R&D Program of China(Grant No.2022YFA1602602)the National Key R&D Program of China(Grant Nos.2022YFA1403800 and 20-23YFA1406500)the China Postdoctoral Science Foundation(Grant No.2023-M730011)the National Natural Science Foundation of China(Grant No.12274459)supported by the HZNU Scientific Research and Innovation Team Project(No.TD2025013)。
文摘In magnetic topological materials,the interplay between magnetism and nontrivial topology gives rise to exotic quantum transport phenomena,including the anomalous Hall effect and anomalous Nernst effect.Here,we report the observation of intrinsic topological Hall and topological Nernst effects below the Néel temperature(T_(N)=25 K)in the antiferromagnetic(AFM)topological insulator Mn Bi_(2)Te_(4).The maximum of topological Hall resistivity reaches approximately 9μΩ·cm at 2 K,while the topological Nernst signal attains a peak value of 0.1μV/K near 10 K.These anomalous transport behaviors originate from the net Berry curvature induced by the non-collinear spin structure in the canted AFM state.Our results suggest a close connection between the topological thermoelectric effect and non-collinear AFM order in AFM topological insulators.
文摘Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.
文摘Food Science of Animal Products(ISSN:2958-4124,e-ISSN:2958-3780)is a peer-reviewed,open access international journal that publishes the latest research findings in the field of animal-origin foods,involving food materials such as meat,aquatic products,milk,eggs,animal offals and edible insects.The research scope includes the quality and processing characteristics of food raw materials,the relationships of nutritional components and bioactive substances with human health,product flavor and sensory characteristics,the control of harmful substances during processing or cooking,product preservation,storage and packaging;microorganisms and fermentation,illegal drug residues and food safety detection;authenticity identification;cell-cultured meat,regulations and standards.
文摘During the organization of original photographic materials,the authors identified that the image labeled"OE-2"in Figure 1A had been erroneously replaced with another tillering phenotype-related plant image captured simultaneously from the same directory.This substitution resulted in the incorrect incorporation of the"OE-2"image during the composite figure assembly process.
基金National Natural Science Foundation of China(62405383)Basic and Applied Basic Research Foundation of Guangdong Province(2023A1515110666)+2 种基金Guangdong Introducing Innovative and Entrepreneurial Teams of“The Pearl River Talent Recruitment Program”(2021ZT09X044)Innovation Program for Quantum Science and Technology(2021ZD0301500)Innovation Program for Quantum Science and Technology(2021ZD0300700)。
文摘High-linearity electro-optic(EO)modulators play a crucial role in microwave photonics(MWP).Although various methods have been explored to enhance linearity in MWP links,they are often constrained by the intrinsic nonlinearity of modulator materials,the complexity of external control devices,the bulkiness of structures,and bandwidth limitations.In this study,we present an integrated thin-film lithium niobate(TFLN)linear Mach–Zehnder modulator(LMZM),showing,to our knowledge,a record-high spurious-free dynamic range(SFDR)of 121.7 dB·Hz^(4∕5)at 1 GHz with an optical power(OP)of 5.5 dBm into the photodetector(PD),based on a widebandwidth(>50 GHz)dual-optical-mode(TE0 and TE1)co-modulated configuration with just one RF input.Additionally,compared to conventional MZMs(CMZMs),the LMZM exhibits a>10.6-dB enhancement in SFDR with an OP of>−8 dBm at 1 GHz,and maintains a 6.07-dB SFDR improvement even at 20 GHz with an OP of 0 dBm.The novel LMZM,featuring high linearity,wide bandwidth,structural simplicity,and high integration,holds significant potential as a key component in future large-scale and high-performance MWP integrated circuits.
基金supported by the National Natural Science Foundation of China(Grant Nos.92164108,U23A20322,12072307,62027818,11974320,61804130)the Provincial Natural Science Foundation of Hunan(Grant Nos.2023JJ30599,2023JJ50009)the National Key Research and Development Program of China(2023YFF0719600,2021YFB4000800).
文摘In this work,a multi-stage material design framework combining machine learning techniques with density functional theory is established to reveal the mechanism of phase stabilization in HfO_(2)based ferroelectric materials.The ferroelectric phase fractions based on a more stringent relationship of phase energy differences is proposed as an evaluation criterion for the ferroelectric performance of hafnium-based materials.Based on the Boltzmann distribution theory,the abstract phase energy difference is converted into an intuitive phase fraction distribution mapping.A large-scale prediction of unknown dopants is conducted within the material design framework,and gallium(Ga)is identified as a new dopant for HfO_(2).Both experiments and density functional theory calculations demonstrate that Ga is an excellent dopant for ferroelectric hafnium oxide,especially,the experimentally determined variation trends of ferroelectric phase fraction and polarization properties with Ga doping concentration are in good agreement with the predictions given by machine learning.This work provides a new perspective from machine learning to deepen the understanding of the ferroelectric properties of HfO_(2)materials,offering fresh insights into the design and performance prediction of HfO_(2)ferroelectric thin films.
基金supported by the Quantum Computing Based on Quantum Advantage Challenge Research(grant RS-2023-00255442)through the National Research Foundation of Korea(NRF)funded by the Korean government(Ministry of Science and ICT).This research also used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory,which is supported by the Office of Science of the U.S.Department of Energy under Contract No.DEAC05-00OR22725The authors also would like to thank the Notre Dame Center for Research Computing for supporting all the simulations in this work.Notice:This manuscript has in part been authored by UT-Battelle,LLC under Contract No.DEAC05-00OR22725 with the U.S.Department of EnergyThe United States Government retains and the publisher,by accepting the article for publication,acknowledges that the U.S.Government retains a non-exclusive,paid up,irrevocable,world-wide license to publish or reproduce the published form of the manuscript,or allow others to do so,for U.S.Government 15 purposes.The Department of Energy will provide public access to these results of federally sponsored research in accordance with theDOE Public Access Plan(http://energy.gov/downloads/doe-publicaccess-plan).
文摘High Entropy Alloys(HEAs)have drawn great interest due to their exceptional properties compared to conventional materials.The configuration of HEA system is considered a key to their superior properties,but exhausting all possible configurations of atom coordinates and species to find the ground energy state is extremely challenging.In this work,we proposed a quantum annealingassisted lattice optimization(QALO)algorithm,which is an active learning framework that integrates the Field-aware Factorization Machine(FFM)as the surrogate model for lattice energy prediction,Quantum Annealing(QA)as an optimizer and Machine Learning Potential(MLP)for ground truth energy calculation.By applying our algorithm to the NbMoTaWalloy,we reproduced the Nb depletion andWenrichment observed in bulk HEA.We found our optimized HEAs to have superior mechanical properties compared to the randomly generated alloy configurations.Our algorithm highlights the potential of quantum computing in materials design and discovery,laying a foundation for further exploring and optimizing structure-property relationships.
文摘Materials and chemical scientists have tirelessly pursued the vision of creating atomically tailored materials.The promise of atomic precision in material synthesis lies in the potential to precisely control every aspect of a material's structure,thereby opening up opportunities for discovering and tuning novel physical properties[1].However,achieving atomically precise assemblies in practice remains a formidable challenge,largely due to the difficulty of controlling nucleation and growth processes at the most fundamental scale.
基金support was provided by the National Natural Science Foundation of China(92463310,92163212,52473235,52472213,22179062,52125202,and U24A2065)National Key R&D Program of China(2022YFA1203400)+3 种基金High Level of Special Funds(G03050K002)Guangdong Provincial Key Laboratory of Computational Science and Material Design(2019B030301001)the Natural Science Foundation of Jiangsu Province(BK20230035)Computing resources were supported by the Center for Computational Science and Engineering at Southern University of Science and Technology.
文摘To enhance the power conversion efficiency(PCE)of organic photovoltaic(OPV)cells,the identification of high-performance polymer/macromolecule materials and understanding their relationship with photovoltaic performance before synthesis are critical objectives.In this study,we developed five algorithms using a dataset of 1343 experimentally validated OPV NFA acceptor materials.The random forest(RF)algorithm exhibited the best predictive performance for material design and screening.Additionally,we explored a newly developed polymer/macromolecule structure expression,polymer-unit fingerprint(PUFp),which outperformed the molecular access system(MACCS)across diverse machine learning(ML)algorithms.PUFp facilitated the interpretability of structure-property relationships,enabling PCE predictions of conjugated polymers/macromolecules formed by the combination of donor(D)and acceptor(A)units.Our PUFp-ML model efficiently preevaluated and classified numerous acceptor materials,identifying and screening the two most promising NFA candidates.The proposed framework demonstrates the ability to design novel materials based on PUFp-ML-established feature/substructure-property relationships,providing rational design guidelines for developing high-performanceOPV acceptors.These methodologies are transferable to donor materials,thereby supporting accelerated material discovery and offering insights for designing innovative OPV materials.
基金supported by the Ministry of Science and Technology of China(Grant No.2022YFA1402700,2018YFGH000095)the NSF of China(Grant No.U2032213,11774223,12274186,11774352,11974244,U1832214,and U1932215)+2 种基金the interdisciplinary program Wuhan National High Magnetic Field Center(Grant No.WHMFC 202122)Huazhong University of Science and Technology,and the Research Grants Council of Hong Kong with General Research Fund Grant No.17303819the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB33010100)。
文摘Spin-orbit coupling is an important ingredient to regulate the many-body physics,especially for many spin liquid candidate materials such as rare-earth magnets and Kitaev materials.The rare-earth chalcogenides NaYbCh_(2)(Ch=O,S,Se)is a congenital frustrating system to exhibit the intrinsic landmark of spin liquid by eliminating both the site disorders between Na+and Yb^(3+)ions with the big ionic size difference and the Dzyaloshinskii-Moriya interaction with the perfect triangular lattice of the Yb^(3+)ions.The temperature versus magnetic-field phase diagram is established by the magnetization,specific heat,and neutron-scattering measurements.Notably,the neutron diffraction spectra and the magnetization curve might provide microscopic evidence for a series of spin configuration for in-plane fields,which include the disordered spin liquid state,120°antiferromagnet,and one-half magnetization state.Furthermore,the ground state is suggested to be a gapless spin liquid from inelastic neutron scattering,and the magnetic field adjusts the spin orbit coupling.Therefore,the strong spin-orbit coupling in the frustrated quantum magnet substantially enriches low-energy spin physics.This rare-earth family could offer a good platform for exploring the quantum spin liquid ground state and quantum magnetic transitions.
