jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ce Li | Tianze Yu | Zirui Zhang | Qingsong Deng | Fei Hui | Zhongrui Wang | Mario Lanza | Linfeng Sun
Source: Nature Communications (article, 2026-03-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Coupled polarization dynamics and charge tunneling enable reconfigurable heterojunctions Layered CuInP₂S₆ provides robust ferroelectric polarization and strong local fields, enabling low-voltage, nonvolatile modulation, multilevel states, and analog weight updates for neuromorphic devices. However, devices driven solely by CuInP₂S₆ suffer from limited tunability and single-mechanism control inadequate for large-scale complementary logic and heterogeneous integration. In this work, we construct a ferroelectric heterostructure that simultaneously regulates ferroelectric polarization and charge tunneling, enabling nonvolatile memory operation with an on/off ratio exceeding 10<sup>6</sup>, endurance up to 10<sup>5</sup> cycles, and stable retention of 16 distinct memory states for over 10<sup>3 </sup>s. The distinct modulation effects of polarization and tunneling on channel transport enable controllably reconfigurable adjustment, yielding a high diode rectification ratio. By exploiting the difference between the coercive voltage and the tunneling threshold, multimode regulation of junction configurations (including nn, np, pp, and pn junctions) is realized. In addition, the device achieves logic-in-memory functionality within a single cell. Such a coupled polarization dynamics and tunneling effect enables the device to achieve high integration, energy efficiency, and multifunctionality, effectively reducing circuit complexity for next-generation intelligent computing, sensing, and edge applications. Quantum tunnelling ; Heterojunction ; Charge (physics) ; Polarization (electrochemistry) ; Dynamics (music) Organic and Molecular Conductors Research ; 2D Materials and Applications ; Electronic and Structural Properties of Oxides
Authors: Nathalie Wehlitz | Grigorios A. Pavliotis | Christof Schütte | S. Winkelmann
Source: arXiv (Cornell University) (article, 2026-01-06)
Field: Materials Science — Materials Chemistry

Data-driven Reduction of Transfer Operators for Particle Clustering Dynamics We develop an operator-based framework to coarse-grain interacting particle systems that exhibit clustering dynamics. Starting from the particle-based transfer operator, we first construct a sequence of reduced representations: the operator is projected onto concentrations and then further reduced by representing the concentration dynamics on a geometric low-dimensional manifold and an adapted finite-state discretization. The resulting coarse-grained transfer operator is finally estimated from dynamical simulation data by inferring the transition probabilities between the Markov states. Applied to systems with multichromatic and Morse interaction potentials, the reduced model reproduces key features of the clustering process, including transitions between cluster configurations and the emergence of metastable states. Spectral analysis and transition-path analysis of the estimated operator reveal implied time scales and dominant transition pathways, providing an interpretable and efficient description of particle-clustering dynamics. Transfer operator ; Cluster analysis ; Operator (biology) ; Cluster (spacecraft) ; Markov chain ; Spectral clustering ; Dynamical systems theory ; Markov process ; Sequence (biology) ; Particle system Block Copolymer Self-Assembly ; Material Dynamics and Properties ; Quantum many-body systems
Authors: Han Wu | J. C. A. Huang | Chaowei Hu | Lei Chen | Yiqing Hao | Yue Shi | Paul Malinowski | Yucheng Guo | Bo Gyu Jang | Jian‐Xin Zhu | Andrew F. May | Tyler Werner | Siqi Wang | Xiang Chen | Yaofeng Xie | Bin Gao | Yichen Zhang | Ziqin Yue | Zheng Ren | Makoto Hashimoto | Donghui Lu | A. V. Fedorov | Sung-Kwan Mo | Junichiro Kono | Yu He | Robert J. Birgeneau | Pengcheng Dai | X. Xu | Huibo Cao | Qimiao Si | Jiun-Haw Chu | Ming Yi
Source: Physical review. B./Physical review. B (article, 2026-02-11)
Field: Materials Science — Materials Chemistry

Dichotomy of flat bands in the van der Waals ferromagnet <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>Fe</mml:mi> <mml:mn>5</mml:mn> </mml:msub> <mml:msub> <mml:mi>GeTe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:mrow> </mml:math> Quantum materials with bands of narrow bandwidth near the Fermi level represent a promising platform for exploring a diverse range of fascinating physical phenomena, as the high density of states within the small energy window often enables the emergence of many-body physics. On one hand, flat bands can arise from strong Coulomb interactions that localize atomic orbitals. On the other hand, quantum destructive interference can quench the electronic kinetic energy. Although both have a narrow bandwidth, the two types of flat bands should exhibit very distinct spectral properties arising from their distinctive origins. So far, the two types of flat bands have only been realized in very different material settings and chemical environments, preventing a direct comparison. Here, we report the observation of the two types of flat bands within the same material system--an above-room-temperature van der Waals ferromagnet, Fe$_{5-x}$GeTe$_2$, distinguishable by a switchable iron site order. The contrasting nature of the flat bands is also identified by the remarkably distinctive temperature-evolution of the spectral features, indicating that one arises from electron correlations in the Fe(1) site-disordered phase, while the other geometrical frustration in the Fe(1) site-ordered phase. Our results therefore provide a direct juxtaposition of the distinct formation mechanism of flat bands in quantum materials, and an avenue for understanding the distinctive roles flat bands play in the presence of magnetism, topology, and lattice geometrical frustration, utilizing sublattice ordering as a key control parameter. Ferromagnetism ; van der Waals force ; Work (physics) ; Term (time) 2D Materials and Applications ; Topological Materials and Phenomena ; Iron-based superconductors research
Authors: Natalia Lima dos Santos | Mónica Benicia Mamián-López
Source: Research Square (preprint, 2026-02-11)
Field: Chemistry — Analytical Chemistry

Data Fusion Models for Assessing Adulteration in Butter Through Its Vibrational Spectroscopic Fingerprint Adulterant ; Sensor fusion ; Fingerprint (computing) ; Fusion ; Food products ; Sample (material) ; Pattern recognition (psychology) Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Identification and Quantification in Food
Authors: Jakhfer Alikhanov | Aidar Moldazhanov | Akmaral Kulmakhambetova | Dmitriy Zinchenko | Tsvetelina Georgieva | Eleonora Nedelcheva | Plamen Daskalov
Source: Preprints.org (preprint, 2026-03-19)
Field: Chemistry — Analytical Chemistry

Multi-Criteria Rotary System for Quality Control and Classification of Eggs into Categories This article presents methods and hardware for multi-criteria non-destructive determination of chicken egg quality parameters, implemented using a multifunctional rotary system. Unlike traditional single-criteria sorting, which relies primarily on weight, the proposed approach utilizes a combination of physical and geometric parameters, including weight, linear dimensions, cross-sectional area and perimeter, volume, density, and shape. The experimental framework for the study was formed by measuring the parameters of 750 chicken eggs, covering the entire range of product categories and morphological variations. Geometric parameters were determined using machine vision methods, weight was determined using a strain gauge, and derived parameters were calculated using formalized models. A multi-criteria evaluation algorithm based on fuzzy set theory was used to make the classification decision, accounting for overlapping feature ranges and regulatory differences between EU and EAEU standards. The results of statistical and correlation analysis showed that egg density is an independent diagnostic parameter, weakly correlated with weight and geometric characteristics, justifying its inclusion in the quality model. A comparison of manual and automatic classification revealed systematic biases in boundary categories during single-criteria sorting and demonstrated the advantages of a multi-criteria approach. The obtained results confirm the effectiveness of the developed methods and hardware for automated egg quality control in industrial poultry farming. Sorting ; Quality (philosophy) ; Range (aeronautics) ; Fuzzy logic ; Pattern recognition (psychology) ; Set (abstract data type) ; Machine vision ; Product (mathematics) Spectroscopy and Chemometric Analyses ; Animal Nutrition and Physiology ; Surface Treatment and Coatings
Authors: James Dark | Rémi Delaporte-Mathurin | Jørgen S. Dokken | Huihua Yang | Chirag Khurana | Kaelyn Dunnell | Gabriele Ferrero | Vladimir Kulagin | Samuele Meschini | Jonathan Dufour | Etienne A. Hodille
Source: International Journal of Hydrogen Energy (article, 2026-02-21)
Field: Materials Science — Materials Chemistry

FESTIM v2.0: Upgraded framework for multi-species hydrogen transport and enhanced performance Multiphysics ; Modular design ; Neutron transport ; Interoperability ; Interface (matter) ; Software ; Hydrogen ; Coupling (piping) ; Finite element method Hydrogen Storage and Materials ; Ammonia Synthesis and Nitrogen Reduction ; Catalytic Processes in Materials Science
Authors: Shanxian Lin | Yuichi Nagata | Haichuan Yang
Source: arXiv (Cornell University) (article, 2026-03-31)
Field: Materials Science — Materials Chemistry

Associative Constructive Evolution: Enhancing Metaheuristics through Hebbian-Learned Generative Guidance Metaheuristic algorithms such as Particle Swarm Optimization (PSO) and Evolutionary Algorithms (EA) excel at exploring solution spaces but lack mechanisms to accumulate and reuse procedural knowledge from successful search trajectories. This paper proposes Associative Constructive Evolution (ACE), a framework that enhances metaheuristics through learned generative guidance. ACE introduces a Generative Construction Automaton (GCA) -- a probabilistic model over operation sequences -- coupled with the base metaheuristic in a synergistic loop: the metaheuristic explores and provides trajectory samples, while the GCA consolidates successful patterns and guides future exploration. Three mechanisms realize this cooperation: Hebbian weight consolidation that strengthens associations between co-successful operations, guided sampling that biases search toward learned high-quality regions, and symbolic abstraction that extracts frequent patterns into reusable macro-operations. Experiments integrating ACE with EA and PSO on molecular design and maze navigation demonstrate consistent improvements. ACE-PSO achieves a 27.5% increase in success rate while reducing convergence time by 49.6%. In molecular design, ACE-EA improves fitness by 10.1% with 126 chemically interpretable macro-operations automatically discovered. Metaheuristic ; Abstraction ; Generative grammar ; Constructive ; Probabilistic logic ; Particle swarm optimization ; Associative property ; Reuse Machine Learning in Materials Science ; Metaheuristic Optimization Algorithms Research ; Advanced Multi-Objective Optimization Algorithms
Authors: Price Paul Kwaku Joffa | Samuel Anakwe Chukwuma | Oyinbrakemi Collins Ogu | Rebecca Ogoniba Eferebo
Source: GSC Biological and Pharmaceutical Sciences (article, 2026-03-09)
Field: Chemistry — Inorganic Chemistry

Anticonvulsant and Neuroprotective Effects of Virgin Cocos nucifera oil in PTZ and MES Seizure Models This study evaluated the anticonvulsant and neuroprotective effects of Virgin Cocos nucifera oil (VCNO) using PTZ and MES seizure models in Wistar rats. VCNO was prepared using cold extraction. For PTZ test, twenty-four Wistar rats were divided into control, test 1 (5 ml/kg VCNO), test 2 (10 ml/kg VCNO) and standard (5 mg/kg diazepam) groups. Similarly, twenty-four Swiss mice were used for MES test. Treatments were administered orally for 21 days period and then seizures were induced. Seizure parameters and brain oxidative stress markers (SOD, catalase, GPx, MDA) were evaluated. VCNO (10 ml/kg) significantly prolonged seizure onset (179.65 ± 5.76 s vs. 95.68 ± 3.85 s) and reduced seizure duration (720.65 ± 9.56 s vs. 2800.68 ± 36.06 s) in PTZ model, with reduced mortality. In MES model, VCNO reduced hindlimb tonic extension duration with no mortality. Both doses significantly increased antioxidant enzymes and decreased MDA levels (p &lt; 0.05). VCNO exhibits dose-dependent anticonvulsant and neuroprotective effects in seizure models, supporting its traditional use and further investigation as a potential therapeutic agent for epilepsy. Anticonvulsant ; Neuroprotection ; Oxidative stress ; Cocos nucifera ; Convulsion ; Antioxidant Coconut Research and Applications ; Advances in Cucurbitaceae Research ; Medicinal Plant Research
Authors: Meryem Altay | Hakan Aydın | Enes Pirge
Source: Materials Testing (article, 2026-01-22)
Field: Materials Science — Metals and Alloys

Effect of austenitizing heat treatment on microhardness and corrosion resistance of 1.4116 martensitic stainless steel Abstract Martensitic stainless steels are utilized in applications requiring high hardness, low wear, and elevated corrosion resistance. Owing to their high alloying element content, they can be hardened through heat treatment. To achieve the desired mechanical properties and corrosion resistance, heat treatment parameters must be appropriately selected; the ratios of martensite, carbide, and retained austenite in the microstructure should be balanced. In this study, temperature and time parameters in the austenitizing heat treatment of 1.4116 (X50CrMoV15) martensitic stainless steel, commonly used in the knife manufacturing industry, were experimentally investigated to obtain an optimal microstructure, maximum hardness, and high corrosion resistance. Temperature values of 1,000 °C, 1,020 °C, 1,040 °C, 1,080 °C, 1,100 °C, and 1,120 °C, as well as durations of 180 s, 210 s, and 260 s, were examined. At lower temperatures, insufficient hardness was achieved due to incomplete austenite transformation and partial dissolution of carbides. At higher temperatures, grain coarsening and retained austenite formation led to a decrease in hardness. At the optimal temperature of 1,080 °C, significant carbide dissolution occurred, complete austenite transformation was achieved, and high-carbon martensite was formed, resulting in maximum hardness. In the time-based experiments, an increase in duration led to a reduction in retained austenite in the microstructure and an increase in hardness. From a corrosion resistance perspective, samples with higher hardness exhibited lower corrosion resistance; however, with increasing duration, corrosion resistance improved due to the activation of diffusion mechanisms. Austenite ; Corrosion ; Microstructure ; Martensite ; Carbide ; Dissolution ; Indentation hardness Hydrogen embrittlement and corrosion behaviors in metals ; Microstructure and Mechanical Properties of Steels ; High Entropy Alloys Studies
Authors: Youba Abed | Julien Jacques | VICTOR SURERUS LEAL COSTA | Denis Guillaume | Benoît Celse
Source: SPIRE - Sciences Po Institutional REpository (article, 2026-06-02)
Field: Materials Science — Materials Chemistry

Kinetic Modeling Using Hybrid Ordinary Differential Equations and Heterogeneous Transfer Learning: Application to Tire Pyrolysis Feedstocks International audience Pyrolysis ; Kinetic energy ; Heat transfer ; Ordinary differential equation ; Work (physics) ; Differential (mechanical device) Thermal and Kinetic Analysis ; Model Reduction and Neural Networks ; Advanced Combustion Engine Technologies
Authors: Ning Song | Zhongfeng Zhang | Chengcheng Ma | Guilan Hu | Yushu Lai | Jiapeng Cui
Source: Scientific Reports (article, 2026-03-10)
Field: Materials Science — Materials Chemistry

Properties of foamed concrete utilizing Fe(II) as foam stabilizer for hydrolyzed pumpkin seed protein This paper introduces a novel strategy for the fabrication of ultra-stable protein foams mediated by transition metal ions. Specifically, the transition metal ion Fe(II) was utilized as the foam stabilizer for hydrolyzed pumpkin seed protein (HPSP) in this study. To maximize foaming performance, response surface methodology (RSM) was utilized to optimize key process parameters in hot-alkali experimental setups. The experimental findings indicated that the optimal reaction conditions were identified as a pH of 11.5, a temperature of 55 ℃, and a reaction time of 1.5 h; under these conditions, the HPSP foaming agent exhibited the highest foaming volume of 488 mL. The interaction and the mechanism of foam stabilization between transition metal ions Fe(II) and HPSP were studied. The results of high performance liquid chromatography (HPLC) showed that the HPSP solution contained a large amount of isoleucine which was beneficial to the stability of foam. Low temperature transmission electron microscopy (Cryo TEM) and small angle X-ray scattering (SAXS) experiments have confirmed that the addition of Fe(II) promotes the exposure of hydrophobic groups in proteins and increases the size of aggregates. Meanwhile, the properties of foam and foamed concrete prepared using self-made foaming agent (Fe-HPSP) and plant protein foaming agents readily available on the market (PS) were studied. Experimental findings reveal that HPSP foams incorporating Fe(II) exhibit enhanced density, stability and viscosity. Furthermore, the resistance to shrinkage and homogeneity of the resultant foamed concrete are also improved. This research offers a novel strategy for the advancement of protein-based foaming agents. Foaming agent ; Stabilizer (aeronautics) ; Hydrolysis ; Metal foam ; Shrinkage ; Metal ions in aqueous solution ; Fabrication ; Metal Pickering emulsions and particle stabilization ; Bone Tissue Engineering Materials ; Polymer Foaming and Composites
Authors: Nguyễn Văn Hùng | Nguyễn Quang Huy | Vu Tien Chuong
Source: Journal of Science and Technology in Civil Engineering (JSTCE) - HUCE (article, 2026-02-25)
Field: Materials Science — Materials Chemistry

Phân tích trường biến dạng và chuyển vị, cùng sự phát triển vết nứt trong kết cấu bê tông cốt thép lắp ghép bằng kỹ thuật tương quan ảnh số Các phương pháp đo truyền thống như quan sát trực quan hay sử dụng cảm biến dịch chuyển vi sai tuyến tính (Linear Variable Differential Transformer, LVDT) còn nhiều hạn chế, như chỉ ghi nhận được biến dạng tại các điểm cục bộ, dễ mất số liệu đo khi biến dạng lớn và không phản ánh được toàn trường biến dạng/chuyển vị của kết cấu. Nghiên cứu này ứng dụng kỹ thuật Tương quan ảnh số (Digital Image Correlation – DIC) để theo dõi trường biến dạng và phân tích quá trình hình thành, lan truyền vết nứt trong nút dầm-cột bê tông cốt thép (BTCT) lắp ghép dưới kịch bản phá hủy lũy tiến. Hệ thống DIC hai chiều được triển khai song song với LVDT nhằm kiểm chứng độ chính xác và khả năng nhận dạng biến dạng cục bộ. Kết quả cho thấy chuyển vị đo bằng DIC có độ tương đồng cao với LVDT, đặc biệt duy trì ổn định ở giai đoạn biến dạng lớn khi cảm biến tiếp xúc mất tín hiệu. Dữ liệu toàn trường giúp xác định chính xác vị trí, hướng và bề rộng vết nứt qua từng giai đoạn tải trọng. Bề rộng vết nứt tại hai trạng thái đặc trưng, đó là TT1 (bắt đầu xuất hiện vết nứt) và TT2 (cốt thép lớp dưới dầm chảy dẻo), được đối chiếu với dự báo theo tiêu chuẩn EN 1992-1-1 (2004) [1]. Kết quả so sánh cho thấy sự sai lệch đáng kể giữa thực nghiệm và lý thuyết tại giai đoạn sau chảy dẻo, qua đó làm rõ giới hạn áp dụng của các công thức thiết kế quy ước đối với trạng thái biến dạng lớn. Điều này khẳng định tiềm năng của DIC như một công cụ thực nghiệm hiệu quả để đánh giá ứng xử phá hoại phức tạp của kết cấu BTCT lắp ghép tại biến dạng lớn mà các mô hình tính toán hiện hành chưa phản ánh đầy đủ. Differential (mechanical device) ; Variable (mathematics) ; Government (linguistics) ; Qualitative analysis Structural mechanics and materials ; Geodetic Measurements and Engineering Structures ; Concrete Properties and Behavior
Authors: Nadine Bohni | Elisabeth Janssen | Susanne Kern | Sonja Klee | Richard Knochenmuss | Jean‐Christophe Prost | Bertran Rubi | Yury O. Tsybin
Source: CHIMIA International Journal for Chemistry (article, 2026-02-25)
Field: Chemistry — Spectroscopy

42&lt;sup&gt;nd&lt;/sup&gt; Swiss Group for Mass Spectrometry Meeting ConferenCe reportThe school attracted strong participation from both academia and industry, mainly from Switzerland.The enthusiasm reflects the continuing importance of mass spectrometry education within the Swiss analytical sciences landscape.SGMS schools remain a cornerstone of the society's mission to address educational gaps in academic curricula and nurture the next generation of professionals.The Board welcomes suggestions for future school topics. nd SGMS MeetingThe 42 nd SGMS meeting featured a comprehensive scientific program spanning four plenary lectures, eight regular talks (including five by PhD students), a record 31 poster contributions and presentations from SGMS sponsor companies.The society extends sincere gratitude to the plenary speakers, who travelled from Switzerland, Luxembourg, and the United States to share their expertise and most recent research findings. Plenary LecturesThe opening plenary lecture was delivered by Julia Laskin, a leading figure in biomolecular mass spectrometry and Past President of the American Society for Mass Spectrometry (ASMS).She presented advanced imaging mass spectrometry approaches based on liquid extraction ionization techniques, highlighting applications in biomedical research, clinical diagnostics, environmental analysis, and forensics.Following this, Elyssia Gallagher discussed fundamental insights into electrospray ionization mechanisms and how protein charging, and gas-phase transition influence structural stability. Mass spectrometry ; Group (periodic table) ; Tandem mass spectrometry ; Feature (linguistics) Mass Spectrometry Techniques and Applications ; Isotope Analysis in Ecology ; Pharmaceutical Quality and Counterfeiting
Authors: Junxi Yu | Yichen Liu | Cheng-Cheng Liu
Source: ArXiv.org (article, 2026-02-10)
Field: Materials Science — Materials Chemistry

MoireStudio: A Universal Twisted Electronic Structure Calculation Package Twistronics is an emerging and captivating field in condensed matter physics and material science. However, accurately and efficiently calculating the electronic structures of twisted systems remains a significant challenge. To address this, we have developed MoireStudio, a universal Python-based computational package for twisted electronic structures. Its functionalities include commensurate structure search, structure generation, parameterization, and construction for tight-binding models and continuum models, and the precise incorporation of full relaxation effects. The package is applicable to arbitrary combinations of two-dimensional materials, including rectangular lattices and heterostructures. User-friendly and easy to use, MoireStudio supports parallel large-scale computations, provides visualization capabilities, and offers interfaces with third-party software. It is poised to become a convenient and powerful tool for researchers in twistronics fields. Electronic structure ; Visualization ; Field (mathematics) ; Relaxation (psychology) ; Topology (electrical circuits) 2D Materials and Applications ; Electronic and Structural Properties of Oxides ; Machine Learning in Materials Science