jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: A. V. Pashkevich | А.К. Fedotov | Е. Н. Подденежный | L. A. Bliznyuk | Vladimir Khovaylo | В. В. Федотова | A. A. Kharchanko
Source: Izvestiya Vysshikh Uchebnykh Zavedenii Materialy Elektronnoi Tekhniki = Materials of Electronics Engineering (article, 2023-07-07)
Field: Materials Science — Materials Chemistry

Thermal and thermoelectric properties of zinc oxide ceramics alloyed with metals The paper studies the thermal, electrical and thermoelectric properties of ZnO– Me x O y ceramics with 1 ≤ x , y ≤ 3, where Me = Al, Co, Fe, Ni, Ti. The samples were made on the basis of ceramic sintering technology of powder mixtures of two or more oxides in an open atmosphere with variations in temperature and duration of annealing. Structural and phase studies of ceramics indicate that the addition of powders of Me x O y alloying agents to ZnO powder with a wurtzite structure after the synthesis process leads to the release of secondary phases such as Zn x (Me) y O4 spinels and a 4-fold increase in the porosity of the resulting ceramics. Studies of thermal conductivity at room temperature indicate the predominance of the lattice contribution. The decrease in thermal conductivity during doping is due to an increase in phonon scattering due to the influence of the following factors: (1) the size factor when replacing zinc ions in the ZnO (wurtzite) crystal lattice with metal ions from the added Me x O y oxides; (2) the formation of defects – point, grain boundaries (microstructure grinding); (3) increase in porosity (decrease in density); and (4) formation of additional phase particles (such as spinels Zn x (Mе) y O 4 ). The effect of these factors in the substitution of zinc ions with metals (Co, Al, Ti, Ni, Fe) leads to an increase in the thermoelectric Q -factor of ZT by 4 orders of magnitude (due to a decrease in electrical resistivity and thermal conductivity with a relatively small decrease in the coefficient of thermal EMF). The reason for the decrease in electrical resistance is the more uniform redistribution of alloying metal ions in the wurtzite lattice, resulting in an increase in the number of donor centers, formed with an increase in the duration of annealing. Materials science ; Thermoelectric effect ; Wurtzite crystal structure ; Ceramic ; Sintering ; Thermal conductivity ; Grain size ; Electrical resistivity and conductivity ; Phonon scattering ; Metallurgy ; Thermoelectric materials ; Microstructure ; Grain growth ; Grain boundary ; Mineralogy ; Zinc ; Chemical engineering ; Composite material ; Chemistry ; Thermodynamics Advanced Thermoelectric Materials and Devices ; Gas Sensing Nanomaterials and Sensors ; ZnO doping and properties
Authors: Xueqian Sun | Manuka Suriyage | Ahmed Raza Khan | Mingyuan Gao | Jie Zhao | Boqing Liu | Mehedi Hasan | Sharidya Rahman | Ruosi Chen | Ping Koy Lam | Yuerui Lu
Source: arXiv (Cornell University) (preprint, 2023-12-18)
Field: Materials Science — Materials Chemistry

Twisted van der Waals Quantum Materials: Fundamentals, Tunability and Applications Twisted vdW quantum materials have emerged as a rapidly developing field of 2D semiconductors. These materials establish a new central research area and provide a promising platform for studying quantum phenomena and investigating the engineering of novel optoelectronic properties such as single-photon emission, non-linear optical response, magnon physics, and topological superconductivity. These captivating electronic and optical properties result from, and can be tailored by, the interlayer coupling using moiré patterns formed by vertically stacking atomic layers with controlled angle misorientation or lattice mismatch. Their outstanding properties and the high degree of tunability position them as compelling building blocks for both compact quantum-enabled devices and classical optoelectronics. This article offers a comprehensive review of recent advancements in the understanding and manipulation of twisted van der Waals structures and presents a survey of the state-of-the-art research on moiré superlattices, encompassing interdisciplinary interests. It delves into fundamental theories, synthesis and fabrication, and visualization techniques, and the wide range of novel physical phenomena exhibited by these structures, with a focus on their potential for practical device integration in applications ranging from quantum information to biosensors, and including classical optoelectronics such as modulators, light emitting diodes (LEDs), lasers, and photodetectors. It highlights the unique ability of moiré superlattices to connect multiple disciplines, covering chemistry, electronics, optics, photonics, magnetism, topological and quantum physics. This comprehensive review provides a valuable resource for researchers interested in moiré superlattices, shedding light on their fundamental characteristics and their potential for transformative applications in various fields. Macroscopic quantum phenomena ; Superlattice ; Photonics ; Nanotechnology ; Materials science ; Quantum ; van der Waals force ; Physics ; Optoelectronics ; Engineering physics ; Quantum mechanics 2D Materials and Applications ; Quantum-Dot Cellular Automata ; Semiconductor Quantum Structures and Devices
Authors: Pradyumna Elavarthi | Arun Bhattacharjee | Ashley Paz y Puente | Anca Ralescu
Source: arXiv (Cornell University) (preprint, 2023-06-24)
Field: Materials Science — Materials Chemistry

Semantic Segmentation of Porosity in 4D Spatio-Temporal X-ray μCT of Titanium Coated Ni wires using Deep Learning A fully convolutional neural network was used to measure the evolution of the volume fraction of two different Kirkendall pores during the homogenization of Ti coated Ni wires. Traditional methods like Otsus thresholding and the largest connected component analysis were used to obtain the masks for training the segmentation model. Once trained, the model was used to semantically segment the two types of pores at different stages in their evolution. Masks of the pores predicted by the network were then used to measure the volume fraction of porosity at 0 mins, 240 mins, and 480 mins of homogenization. The model predicted an increase in porosity for one type of pore and a decrease in porosity for another type of pore due to pore sintering, and it achieved an F1 Score of 0.95. Porosity ; Materials science ; Kirkendall effect ; Volume fraction ; Titanium ; Sintering ; Segmentation ; Thresholding ; Homogenization (climate) ; Composite material ; Artificial intelligence ; Mineralogy ; Metallurgy ; Computer science ; Geology ; Image (mathematics) Machine Learning in Materials Science ; Advanced materials and composites ; Electron and X-Ray Spectroscopy Techniques
Authors: Di Zhang | Katherine Harmon | Michael J. Zachman | Ping Lu | Doyun Kim | Zhan Zhang | Nickolas Cucciniello | Reid Markland | Ken William Ssennyimba | Hua Zhou | Yue Cao | Matthew Brahlek | Hao Zheng | Matthew M. Schneider | Alessandro R. Mazza | Zach Hughes | Chase Somodi | Benjamin Freiman | Sarah Pooley | Sundar Kunwar | Pinku Roy | Qing Tu | Rodney J. McCabe | Aiping Chen
Source: arXiv (Cornell University) (preprint, 2023-12-29)
Field: Materials Science — Materials Chemistry

High-throughput combinatorial approach expedites the synthesis of a lead-free relaxor ferroelectric system Developing novel lead-free ferroelectric materials is crucial for next-generation microelectronic technologies that are energy efficient and environment friendly. However, materials discovery and property optimization are typically time-consuming due to the limited throughput of traditional synthesis methods. In this work, we use a high-throughput combinatorial synthesis approach to fabricate lead-free ferroelectric superlattices and solid solutions of (Ba0.7Ca0.3)TiO3 (BCT) and Ba(Zr0.2Ti0.8)O3 (BZT) phases with continuous variation of composition and layer thickness. High-resolution X-ray diffraction (XRD) and analytical scanning transmission electron microscopy (STEM) demonstrate high film quality and well-controlled compositional gradients. Ferroelectric and dielectric property measurements identify the optimal property point achieved at the morphotropic phase boundary (MPB) with a composition of 48BZT-52BCT. Displacement vector maps reveal that ferroelectric domain sizes are tunable by varying {BCT-BZT}N superlattice geometry. This high-throughput synthesis approach can be applied to many other material systems to expedite new materials discovery and properties optimization, allowing for the exploration of a large area of phase space within a single growth. Ferroelectricity ; Materials science ; Dielectric ; Microelectronics ; Superlattice ; Phase boundary ; Throughput ; Phase (matter) ; Nanotechnology ; Optoelectronics ; Computer science ; Chemistry ; Telecommunications Ferroelectric and Piezoelectric Materials ; Bone Tissue Engineering Materials ; Materials Engineering and Processing
Authors: S. Honarmandnia | Hamzeh Shahrajabian
Source: International Journal of Engineering (article, 2023-01-01)
Field: Materials Science — Biomaterials

Effect of nGO on Morphology, Mechanical Properties and Thermal Behavior of PLA/nGO Sheets Before and After Thermoforming: An Experimental Study Today, contrary to the benefits and advantages that the use of polymer materials has had for humans, the use of these materials has caused environmental problems for human life due to their non-degradability in nature. Therefore, the use of biodegradable polymers such as polylactic acid (PLA) is increasing. One of the main applications of plastic materials is the production of disposable containers. In this research, the thermoforming process of PLA sheets reinforced with graphene oxide nanoparticles (nGO) (0.4 and 1 wt.%) was investigated. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) were used to study the morphology of the samples before and after thermoforming. The mechanical properties before and after the thermoforming process were investigated by tensile test. The results showed that after the thermoforming process, the tensile strength of the sheets significantly increased, so that for the sample containing 1wt.% of nGO, the tensile strength increased by about 70%. The results of the thickness distribution investigation showed that the lowest amount of thickness reduction, approximately 68%, is related to the sample containing 1 wt. % of nGO. The results of the DSC thermal test showed that the degree of crystallinity of the samples significantly decreased after thermoforming. Thermoforming ; Ultimate tensile strength ; Crystallinity ; Materials science ; Scanning electron microscope ; Composite material ; Tensile testing ; Morphology (biology) ; Polylactic acid ; Polymer biodegradable polymer synthesis and properties ; Additive Manufacturing and 3D Printing Technologies ; Microplastics and Plastic Pollution
Authors: Christos G. Tsinos | Alexandros–Apostolos A. Boulogeorgos | Theodoros A. Tsiftsis
Source: arXiv (Cornell University) (preprint, 2023-12-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

NeuroRIS: Neuromorphic-Inspired Metasurfaces Reconfigurable intelligent surfaces (RISs) operate similarly to electromagnetic (EM) mirrors and remarkably go beyond Snell law to generate an applicable EM environment allowing for flexible adaptation and fostering sustainability in terms of economic deployment and energy efficiency. However, the conventional RIS is controlled through high-latency field programmable gate array or micro-controller circuits usually implementing artificial neural networks (ANNs) for tuning the RIS phase array that have also very high energy requirements. Most importantly, conventional RIS are unable to function under realistic scenarios i.e, high-mobility/low-end user equipment (UE). In this paper, we benefit from the advanced computing power of neuromorphic processors and design a new type of RIS named \emph{NeuroRIS}, to supporting high mobility UEs through real time adaptation to the ever-changing wireless channel conditions. To this end, the neuromorphic processing unit tunes all the RIS meta-elements in the orders of $\rm{ns}$ for particular switching circuits e.g., varactors while exhibiting significantly low energy requirements since it is based on event-driven processing through spiking neural networks for accurate and efficient phase-shift vector design. Numerical results show that the NeuroRIS achieves very close rate performance to a conventional RIS-based on ANNs, while requiring significantly reduced energy consumption with the latter. Neuromorphic engineering ; Computer science ; Efficient energy use ; Adaptation (eye) ; Latency (audio) ; Apodization ; Electronic circuit ; Energy (signal processing) ; Software deployment ; Electronic engineering ; Energy consumption ; Computer architecture ; Artificial neural network ; Electrical engineering ; Engineering ; Telecommunications ; Artificial intelligence ; Physics Metamaterials and Metasurfaces Applications ; Advanced Wireless Communication Technologies ; Underwater Vehicles and Communication Systems
Authors: Muhammed ARSLANTAŞ | Ömür Gökkuş
Source: DergiPark (Istanbul University) (article, 2023-03-06)
Field: Chemistry — Electrochemistry

Tetrasiklin Giderimi için Elektrokimyasal Oksidasyon Yöntemi Bu çalışmada dünya genelinde yaygın olarak kullanılan antibiyotik tetrasiklin etken maddesinin doğrudan elektrooksidasyon yöntemlerinden birisi olan anodik oksidasyon prosesi ile giderimi amaçlanmıştır. Deneysel çalışmalar esnasında titanyum anot ve paslanmaz çelik katot elektrot konfigürasyonu ile 60 dakikalık elektroliz esnasında tetrasiklin giderimi araştırılmıştır. Çalışmada elektrokimyasal proses performansını etkileyen pH, akım şiddeti, destek elektrolit konsantrasyonu ve ilaç etken madde konsantrasyonu gibi temel işletme parametrelerinin optimum düzeyleri tespit edilmiştir. Ayrıca optimum işletme koşullarında prosese ait kinetik parametreler incelenerek yapancı birinci derece reaksiyon hız sabitleri belirlenmiştir. Buna göre titanyum anot kullanılarak yürütülen deneysel çalışmalarda optimum işletme koşulları pH, akım şiddeti, destek elektrolit konsantrasyonu ve tetrasiklin başlangıç konsantrasyonu sırasıyla 3, 100 mA, 10 mM NaSO4 ve 10 mg/L tetrasiklin konsantrasyonu olarak belirlenmiştir. Belirtilen bu çalışma koşullarında %55,35 tetrasiklin giderimine ulaşılmıştır. Diğer taraftan 20 – 120 mA akım şiddetleri için reaksiyon hız sabitleri incelendiğinde ise 100 mA akım şiddeti değerinde en yüksek reaksiyon hız sabiti değerine (k=0,0148) ulaşıldığı görülmüştür. Optimum işletme koşullarında toplam organik karbon (TOK) giderimi incelendiğinde ise %25,8 TOK giderimine ulaşılabildiği görülmüştür. Deneysel çalışmalar esnasında incelenen diğer bir parametre ise sistem enerji tüketimleridir. Bu bağlamda 10 mg L-1 tetrasiklin konsantrasyonu için anodik oksidasyon prosesi uygulandığında 120 mA’lik akım şiddetinde 46,80 kWh/m3 lük bir enerji tüketimi söz konusudur. Ancak prosesin optimum giderim sağladığı 100 mA akım şiddeti için 43,20 kWh/m3 lük bir enerji gereksinimi duyulmaktadır. Anodik oksidasyon prosesi ile tetrasiklin giderimi için yapılan çalışmalar neticesinde belirlenen koşullarda toksisite testleri de yapılmış olup, deneysel çalışmalarda kullanılan tetrasiklin konsantrasyonu için herhangi bir toksisite bulgusuna rastlanmamıştır. Mathematics Electrochemical Analysis and Applications
Authors: V. Senthilkumar K. K. Ilavenil
Source: Tuijin Jishu/Journal of Propulsion Technology (article, 2023-10-16)
Field: Chemistry — Organic Chemistry

Microbiological Activities Of Para - Bromophenoxy Acetic Acid Para-bromophenoxyacetic acid's antimicrobial activity showed promise as it inhibited the growth of various microorganisms, including bacteria and fungi. The compound's bromo group appeared to have enhanced its effectiveness against these microorganisms, resulting in larger lethal zones compared to the standard drug, gentamicin. The antimicrobial assay demonstrated notable inhibitory effects on Bacillus subtilis, Enterobacter, E. coli, Klebsiella pneumoniae, Candida albicans, and Trichoderma. The potential modes of action involved the disruption of cell membranes, interference with cell wall synthesis, inhibition of protein or nucleic acid synthesis, or induction of reactive oxygen species. The compound's antimicrobial properties provided an intriguing avenue for future research into novel treatments against microbial infections. Antimicrobial ; Bacillus subtilis ; Candida albicans ; Microbiology ; Klebsiella pneumoniae ; Bacteria ; Nucleic acid ; Microorganism ; Enterobacter ; Gentamicin ; Chemistry ; Biology ; Bacterial cell structure ; Acetic acid ; Biochemistry ; Escherichia coli ; Antibiotics Synthesis and biological activity ; Essential Oils and Antimicrobial Activity ; Phenothiazines and Benzothiazines Synthesis and Activities
Authors: Qian Yang | Yuxuan Du | Zhenliang He | Min-Hsiu Hsieh | Dacheng Tao
Source: arXiv (Cornell University) (preprint, 2023-11-07)
Field: Materials Science — Materials Chemistry

Multimodal deep representation learning for quantum cross-platform verification Cross-platform verification, a critical undertaking in the realm of early-stage quantum computing, endeavors to characterize the similarity of two imperfect quantum devices executing identical algorithms, utilizing minimal measurements. While the random measurement approach has been instrumental in this context, the quasi-exponential computational demand with increasing qubit count hurdles its feasibility in large-qubit scenarios. To bridge this knowledge gap, here we introduce an innovative multimodal learning approach, recognizing that the formalism of data in this task embodies two distinct modalities: measurement outcomes and classical description of compiled circuits on explored quantum devices, both enriched with unique information. Building upon this insight, we devise a multimodal neural network to independently extract knowledge from these modalities, followed by a fusion operation to create a comprehensive data representation. The learned representation can effectively characterize the similarity between the explored quantum devices when executing new quantum algorithms not present in the training data. We evaluate our proposal on platforms featuring diverse noise models, encompassing system sizes up to 50 qubits. The achieved results demonstrate a three-orders-of-magnitude improvement in prediction accuracy compared to the random measurements and offer compelling evidence of the complementary roles played by each modality in cross-platform verification. These findings pave the way for harnessing the power of multimodal learning to overcome challenges in wider quantum system learning tasks. Computer science ; Qubit ; Deep learning ; Artificial intelligence ; Quantum ; Quantum circuit ; Theoretical computer science ; Modalities ; Context (archaeology) ; Quantum computer ; Machine learning ; Computer engineering ; Quantum error correction Machine Learning in Materials Science ; Quantum Computing Algorithms and Architecture ; Adversarial Robustness in Machine Learning
Authors: Lukas Hörmann | Johannes J. Cartus | Oliver T. Hofmann
Source: arXiv (Cornell University) (preprint, 2023-04-24)
Field: Materials Science — Materials Chemistry

The impact of static distortion waves on superlubricity Friction is a major source of energy loss in mechanical devices. This energy loss may be minimized by creating interfaces with extremely reduced friction, i.e. superlubricity. Conventional wisdom holds that incommensurate interface structures facilitate superlubricity. Accurately describing friction necessitates precise modeling of the interface structure. This, in turn, requires the use of accurate first-principles electronic structure methods, especially when studying organic/metal interfaces, which are highly relevant due to their tunability and propensity to form incommensurate structures. However, the system size required to calculate incommensurate structures renders such calculations intractable. As a result, studies of incommensurate interfaces have been limited to very simple model systems or strongly simplified methodology. We overcome this limitation by developing a machine-learned interatomic potential that is able to determine energies and forces for structures containing thousands to tens of thousands of atoms with an accuracy comparable to conventional first principles methods but at a fraction of the cost. Using this approach, we quantify the breakdown of superlubricity in incommensurate structures due to the formation of static distortion waves. Moreover, we extract design principles to engineer incommensurate interface systems where the formation of static distortion waves is suppressed, which facilitates low friction coefficients. Distortion (music) ; Interface (matter) ; Materials science ; Computer science ; Simple (philosophy) ; Optoelectronics ; Composite material Machine Learning in Materials Science ; Force Microscopy Techniques and Applications ; Molecular Junctions and Nanostructures
Authors: Junnan He
Source: Highlights in Science Engineering and Technology (article, 2023-11-29)
Field: Chemistry — Inorganic Chemistry

Metal-Organic Frameworks as Drug Delivery Systems for Tumor Targeted Treatment Metal-organic frameworks (MOFs) are a class of porous crystalline materials composed of metal nodes and organic linkers, which have attracted great attention for various applications, especially in biomedicine. Tumor treatment often requires repeated, massive, prolonged drug therapy. Traditional drugs and their delivery systems are prone to the development of drug resistance and even concurrent cancers. So it is urgent to develop a new DDS. MOFs have shown promising potential in the DDS for tumor-targeted treatment, because of their large surface area, large pore volume, modifiable structure as well as functionality, and versatile drug loading and release mechanisms. In this review, the recent advances, and challenges of MOFs as DDS for tumor targeting treatment are summarized, focusing on the synthetic methods of promising MOFs, and the targeting strategies. Several recent studies of drug-loaded MOF NPs for the treatment are illustrated. Besides, the functionality proved for biocompatibility, biodegradability, and stability in vivo, the challenges and perspectives for future research and development were discussed. It is hoped that this paper can offer an overview and insights for researchers who are interested in MOFs as DDS for tumor targeting treatment. Drug delivery ; Nanotechnology ; Biomedicine ; Biocompatibility ; Metal-organic framework ; Targeted drug delivery ; Drug ; Materials science ; Medicine ; Bioinformatics ; Chemistry ; Pharmacology ; Biology Metal-Organic Frameworks: Synthesis and Applications ; Dendrimers and Hyperbranched Polymers ; Nanoplatforms for cancer theranostics