jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Cynthia Chiamaka Ezeh | Covenant Chuka Oriaku
Source: International Journal of Science and Research Archive (article, 2020-12-30)
Field: Chemistry — Analytical Chemistry

Corrosion In multiphase flow systems: The impact of high Co₂ and low water conditions Corrosion in multiphase flow systems presents a persistent threat to the integrity of oil and gas pipelines, especially under complex operating conditions. This paper investigates internal corrosion mechanisms in environments characterized by high carbon dioxide (CO₂) levels and low water content—a combination traditionally perceived as less corrosive due to water’s essential role in electrochemical degradation. Contrary to conventional assumptions, this study reveals that corrosion can still initiate and propagate under low-water conditions, particularly through the presence of condensed water films and micro-phase separation. The paper provides a detailed analysis of how corrosion manifests in such systems, considering key factors such as flow regime, wall shear stress, and the localized accumulation of aqueous phases. Special attention is given to the formation and stability of iron carbonate (FeCO₃) scales, which may act as protective barriers or, under specific conditions, degrade into porous, ineffective layers. The interplay of temperature, pressure, and hydrocarbon composition is also examined, highlighting how these variables influence both the likelihood and severity of corrosion in transitional flow regimes. Advanced modeling techniques are employed to improve corrosion rate predictions, accounting for intermittently wetted surfaces and the dynamic behavior of fluids in stratified or slug flow patterns. Laboratory experiments and field data are integrated to validate these models and refine risk assessment tools. The study concludes with recommendations for corrosion monitoring and mitigation in systems where traditional water-dependent models may underestimate risk. These findings contribute to a more nuanced understanding of CO₂ corrosion and support the development of targeted, cost-effective corrosion management strategies in dry or semi-dry pipeline environments Corrosion ; Multiphase flow ; Flow (mathematics) ; Environmental science ; Materials science ; Petroleum engineering ; Metallurgy ; Mechanics ; Geology ; Physics Petroleum Processing and Analysis
Authors: А. Б. Баешов | G. M. Iztleuov | Sh.T. Koshkarbaeva | A.Zh. Dairabaeva
Source: BULLETIN of the L N Gumilyov Eurasian National University Chemistry Geography Ecology Series (article, 2020-04-08)
Field: Materials Science — Materials Chemistry

Тұз қышқылы ерiтiндiсiндегi молибденнiң электрохимиялық қасиетi Кейiнгi кезде әлемде, қиын балқитын металдардың өндiрiс қалдықтарыкөптеп түзiлуде. Бұл металл қалдықтарды өңдеп, олардан пайдалы әртүрлi бейорганикалыққосылыстарды синтездеу өте қиын. Себебi, бұл металдардың балқу температурасы өтежоғары және қалыпты температурада, қышқылдарда қиын еридi. Сол себептен бұлметалдарды стационарлы емес токпен поляризациялау кезiндегi электрохимиялық қасиетiнзерттеу үлкен қызығушылықты туғызып отыр. Ұсынылып отырған жұмыста, титан-молибденэлектродтар жұбын айнымалы токпен поляризациялаған кездегi, молибден электродыныңеру заңдылықтары қарастырылды. Молибден электродының еру процесiне - молибденжәне титан электродтарындағы ток тығыздықтарының, электролиз ұзақтығы және қышқылконцентрациясының, температураның әсерлерi зерттелдi. Молибденнiң тұз қышқылыерiтiндiсiнде өндiрiстiк жиiлiктегi айнымалы токпен поляризациялаған кездегi еруiне тоқтығыздығының, электролиз ұзақтығының, тұз қышықылы ерiтiндiсiнiң концентрациясыныңәсерi жан-жақты зерттелiп, еруiнiң оптимальды параметрлерi анықталды. Physics Chemical and Physical Properties of Materials ; Carbon Nanotubes in Composites ; Electron and X-Ray Spectroscopy Techniques
Authors: Alex C. Wiedenhoeft
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2020-08-03)
Field: Chemistry — Organic Chemistry

The XyloPhone: democratizing access to high-quality macroscopic imaging for wood and other substrates Abstract One rate-limiting factor in the fight against illegal logging is the lack of powerful, affordable, scalable wood identification tools for field screening. Computer vision wood identification using smartphones fitted with customized imaging peripherals offer a potential solution but to date, such peripherals suffer from one or more weaknesses: low image quality, lack of lighting control, uncontrolled magnification, unknown distortion and spherical aberration, and/or no access to or publication of the system design. To address cost, optical concerns, and open access to designs and parameters, I present the XyloPhone, a 3D printed research quality macroscopic imaging attachment adaptable to any smartphone. It provides a fixed focal distance, exclusion of ambient light, selection of visible light or UV illumination, uses the lens from a commercially available loupe, is powered by a rechargeable external battery, is fully open-sourced, and at a price point of less than 110 USD is a highly affordable tool for the laboratory or the field, and can serve as the foundational hardware for a scalable field deployable computer vision wood identification system. Identification (biology) ; Computer science ; Scalability ; Quality (philosophy) ; Point cloud ; Field (mathematics) ; Computer hardware ; Artificial intelligence ; Database Wood and Agarwood Research ; Industrial Vision Systems and Defect Detection ; Remote Sensing and LiDAR Applications
Authors: Satoru Okayasu | Kazuya Harii | Masaaki Kobata | Kenji Yoshii | Tatsuo Fukuda | Masahiko Ishida | Junichi Ieda | Eiji Saito
Source: Institutional Repositories DataBase (IRDB) (article, 2020-08-01)
Field: Materials Science — Materials Chemistry

スピンゼーベック熱電能の高速重イオン照射に対する耐性 The ion-irradiation tolerance of thermoelectric devices based on the spin Seebeck effect (SSE) was investigated by using 320 MeV gold ion (Au$^{24+}$) beams modeling cumulative damages due to fission products emitted from the surface of spent nuclear fuels. For this purpose, prototypical Pt/Y$_3$Fe$_5$O$_{12}$/Gd$_3$Ga$_5$O$_{12}$ SSE elements were irradiated with varying the dose level at room temperature and measured the SSE voltage of them. We confirmed that the thermoelectric and magnetic properties of the SSE elements are not affected by the ion-irradiation up to $10^{10}$ ions/cm$^2$ fluence and that the SSE signal is extinguished around $10^{12}$ ions/cm$^2$, in which the ion tracks almost fully cover the sample surface. We also performed the hard X-ray photoemission spectroscopy (HAXPES) measurements to understand the effects at the interface of Pt/Y$_3$Fe$_5$O$_{12}$. The HAXPES measurements suggest that the chemical reaction that diminishes the SSE signals is enhanced with the increase of the irradiation dose. The present study demonstrates that SSE-based devices are applicable to thermoelectric generation even in harsh environments for a long time period. Thermoelectric effect ; Fluence ; Irradiation ; X-ray photoelectron spectroscopy ; Ion ; SIGNAL (programming language) ; Thermoelectric generator ; Radiation Chemical and Physical Properties of Materials ; Magnetic properties of thin films ; Transition Metal Oxide Nanomaterials
Authors: Ehsan Alimohammadi | Reza Maleki | Hossein Akbarialiabad | Mohammad Dahri
Source: Research Square (Research Square) (preprint, 2020-04-08)
Field: Chemistry — Organic Chemistry

Atomistic insight into novel co-delivery of doxorubicin and paclitaxel using fullerene modified by dimethyl acrylamide trimethyl chitosan: A computational study Abstract Background : The distribution of drugs could not be controlled in the conventional drug delivery system. This has led to the development of a smart nanoparticle-based drug delivery system, known as smart drug delivery systems. In cancer research, novel biocompatible nanocarriers have received much attention for various ranges of anticancer drugs.In the current study, the effect of a novel co-polymer "dimethyl acrylamide-trimethyl chitosan" was investigated on drug delivery of doxorubicin and paclitaxel utilizing modified fullerene nanocarrier. This study was performed via molecular dynamics simulation based on acidic pH sensitivity of the cancer microenvironment. Furthermore, hydrogen bonds, diffusion coefficient, gyration radius, and drug-carrier interaction energies were investigated here. Interestingly, a simultaneous pH and temperature-sensitive system was proposed for paclitaxel and doxorubicin for a co-polymer. A pH-sensitive and temperature-sensitive copolymer was used based on trimethyl chitosan and dimethyl acrylamide, respectively. In such a dualistic approach, co-polymer makes an excellent option to have two properties in one bio-polymer. Results: The results suggest the dramatic and indisputable role of the co-polymer in the release of doxorubicin and paclitaxel in cancerous tissues, as well as an increased biocompatibility and drug uptake in a neutral state. The validation test was performed by repeated simulations of a similar article. The results are very close to those of the reference paper. Conclusions : Overall, conjugated fullerene and dimethyl acrylamide-trimethyl chitosan (DMAA-TMC) as carriers can be a good proposition for loading, delivery, and release of anti-cancer drugs based on a pH/temperature-sensitive smart drug delivery system. Acrylamide ; Paclitaxel ; Chitosan ; Fullerene ; Doxorubicin ; Chemistry ; Organic chemistry ; Medicine ; Chemotherapy ; Polymer ; Surgery Fullerene Chemistry and Applications ; Graphene and Nanomaterials Applications ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Daulet Sergeyev | N. Zhanturina | L. Myasnikova | Anatoli I. Popov | Ainur Duisenova | Assel Istlyaup
Source: Latvian Journal of Physics and Technical Sciences (article, 2020-12-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Computer Simulation of the Electric Transport Properties of the FeSe Monolayer Abstract The paper deals with the model research of electric transport characteristics of stressed and non-stressed FeSe monolayers. Transmission spectra, current-voltage characteristic (CVC) and differential conductivity spectra of two-dimensional FeSe nanostructure have been calculated within the framework of the density functional theory and non-equilibrium Green’s functions (DFT + NEGF). It has been shown that the electrophysical properties depend on the geometry of the sample, the substrate, and the lattice constant. On CVC of non-stressed sample in the range from −1.2 V to −1 and from 1.2 V to 1.4 V, a region of negative differential resistance (NDR) has been observed. NDR is at both signs of the applied voltage due to the symmetry of the nanostructure. d 2 I/dV 2 is used to determine the nature of the electron-phonon interaction and the features of quasiparticle tunnelling in stressed and non-stressed samples. The results obtained can be useful for calculating new elements of 2D nanoelectronics. Quasiparticle ; Condensed matter physics ; Nanoelectronics ; Nanostructure ; Quantum tunnelling ; Monolayer ; Phonon ; Materials science ; Voltage ; Density functional theory ; Spectral line ; Substrate (aquarium) ; Lattice constant ; Nanotechnology ; Physics ; Superconductivity ; Quantum mechanics Iron-based superconductors research ; Semiconductor materials and interfaces ; Surface and Thin Film Phenomena
Authors: Ehsan Alimohammadi | Reza Maleki | Hossein Akbarialiabad | Mohammad Dahri
Source: Research Square (preprint, 2020-10-28)
Field: Materials Science — Biomaterials

Novel pH-Responsive Nanohybrid for Stimultaneous Delivery of Doxorubicin and Paclitaxel: An In-Silico Insight Abstract Background : The distribution of drugs could not be controlled in the conventional drug delivery system. This has led to the development of a smart nanoparticle-based drug delivery system, known as smart drug delivery systems. In cancer research, novel biocompatible nanocarriers have received much attention for various ranges of anticancer drugs.In the current study, the effect of a novel co-polymer "dimethyl acrylamide-trimethyl chitosan" was investigated on drug delivery of doxorubicin and paclitaxel utilizing modified fullerene nanocarrier. This study was performed via molecular dynamics simulation based on acidic pH sensitivity of the cancer microenvironment. Furthermore, hydrogen bonds, diffusion coefficient, gyration radius, and drug-carrier interaction energies were investigated here. Interestingly, a simultaneous pH and temperature-sensitive system was proposed for paclitaxel and doxorubicin for a co-polymer. A pH-sensitive and temperature-sensitive copolymer was used based on trimethyl chitosan and dimethyl acrylamide, respectively. In such a dualistic approach, co-polymer makes an excellent option to have two properties in one bio-polymer. Results: The results suggest the dramatic and indisputable role of the co-polymer in the release of doxorubicin and paclitaxel in cancerous tissues, as well as an increased biocompatibility and drug uptake in a neutral state. The validation test was performed by repeated simulations of a similar article. The results are very close to those of the reference paper . Conclusions : Overall, conjugated fullerene and dimethyl acrylamide-trimethyl chitosan (DMAA-TMC) as carriers can be a good proposition for loading, delivery, and release of anti-cancer drugs based on a pH/temperature-sensitive smart drug delivery system. Paclitaxel ; In silico ; Doxorubicin ; Nanotechnology ; Chemistry ; Combinatorial chemistry ; Computer science ; Materials science ; Biology ; Biochemistry ; Cancer ; Chemotherapy ; Genetics Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoplatforms for cancer theranostics
Authors: Marianne Liebi | Viviane Lutz‐Bueno | Manuel Guizar‐Sicairos | Bernd M. Schönbauer | Johannes Eichler | Elisabeth Martinelli | Jörg F. Löffler | Annelie‐Martina Weinberg | Helga C. Lichtenegger | Tilman A. Grünewald
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2020-11-09)
Field: Materials Science — Biomaterials

3D nanoscale analysis of bone healing around degrading Mg implants studied by X-ray scattering tensor tomography Abstract The nanostructural adaptation of bone is crucial for its compatibility with orthopedic implants. The bone’s nanostructure determines its mechanical properties, however little is known about its temporal and spatial adaptation in degrading implants. This study presents insights into this adaptation by applying electron microscopy, elemental analysis, and small-angle X-ray scattering tensor-tomography (SASTT). We extend the SASTT reconstruction to multiple radii of the reciprocal space vector q , providing a 3D reciprocal-space map per voxel. Each scattering curve is spatially linked to one voxel in the volume, and properties such as the thickness of the mineral particles are quantified. This reconstruction provides information on nanostructural adaptation during healing around a degrading ZX10 magnesium implant over the course of 18 months, using a sham as control. The nanostructural adaptation process is observed to start with an initially fast interfacial organization towards the implant direction, followed by a substantial reorganization of the volume around the implant, and an adaptation in the later degradation stages. The study sheds light on the complex bone-implant interaction in 3D, allowing a more guided approach towards the design of future implant materials, which are expected to be of great interest for further clinical studies on the bone-implant interaction. TOC text and figure Degrading Magnesium implants are mechanically and chemically well adapted orthopedic implant materials and ensure a gradual load transfer during bone healing due to their degradation. The impact of the implant degradation on the bone nanostructure is however not fully understood. This study unveils the processes 3D and shows different stages of bone healing. Implant ; Materials science ; Nanostructure ; Voxel ; Biomedical engineering ; Cortical bone ; Adaptation (eye) ; X-ray microtomography ; Nanotechnology ; Optics ; Medicine ; Physics ; Radiology ; Surgery ; Anatomy Magnesium Alloys: Properties and Applications ; Bone Tissue Engineering Materials ; Titanium Alloys Microstructure and Properties
Authors: Alfonso M. Román | Bernando Campillo | Arturo Molina | H. Martı́nez | Itzel Mariana Rodríguez Reyes | Osvaldo Flores
Source: Programación matemática y software (article, 2020-06-30)
Field: Materials Science — Metals and Alloys

Red neuronal artificial para predecir la dependencia a la composición química de la energía de falla de apilamiento en aceros inoxidables austeníticos La energía de falla de apilamiento (SFE) es un parámetro importante a considerar en el diseño de aceros inoxidables austeníticos (SS) debido a su influencia en la susceptibilidad magnética, los cambios de orden atómico y la resistencia a la corrosión intergranular. Se examinó una extensa revisión de la literatura especializada con el fin de comprender los diferentes métodos que se han desarrollado para el cálculo de SFE. La caracterización por microscopía electrónica de transmisión (TEM), expresiones lineales a partir del procesamiento de datos y aproximaciones de mecánica cuántica de primeros principios son algunas de las técnicas que se han utilizado para el cálculo de SFE. En el presente trabajo se desarrolló una red neuronal artificial (ANN) de retropropagación para predecir la SFE dentro de rangos específicos dados de composiciones químicas para SS austenítico. Los datos experimentales se extrajeron de un trabajo de investigación informado por Yonezawa et al [1], y luego se analizaron para tres condiciones diferentes de tratamiento térmico. El presente modelo predice valores SFE con un coeficiente de correlación de 0.99, lo cual es un error menor cuando se compara con otros trabajos en la literatura. Humanities ; Art ; Physics ; Mathematics ; Philosophy Hydrogen embrittlement and corrosion behaviors in metals ; Microstructure and Mechanical Properties of Steels ; Welding Techniques and Residual Stresses
Authors: Yue Xiao
Source: UA Campus Repository (The University of Arizona) (article, 2020-01-01)
Field: Materials Science — Materials Chemistry

Phonon and Electron Transport in Periodic Nanoporous Structures Comparing with their bulk counterparts, the nanostructured materials provide superior performance in many applications due to their unique physical properties. Therefore, a better understanding of phonon and electron transport within nanostructures is critical for their applications, including the thermoelectrics, thermal management, and electronics, etc. This dissertation is a collection of research ranging from simple but accurate thermal conductivity predictions for engineering purposes, to the understanding of physics of micro/nano-scale phonon transports. \nFor the property estimation in engineering applications, the characteristic lengths of periodic nanoporous bulk material and thin films are extracted and derived. The presented models enable a simple but accurate thermal conductivity prediction without performing complicated phonon Monte Carlo simulation. The thermoelectric properties can also be predicted using such models. In addition, a two-step phonon mean free path modification model is developed for various thin-film based nanostructures including etched nanowires. This two-step model can incorporate different surface roughness between the thin film surface and etched surfaces. \nOn the understanding of the physics of the phonon transport, a new approach is used to evaluate the impact of possible phonon wave effects by comparing the thermal conductivity of the same Si thin film with increased rows of nanopores as drilled with a focused ion beam. As a result, no significant wave effect is observed in the temperature range of 85 K to 300 K for measured samples. Phonon ; Nanoporous ; Materials science ; Condensed matter physics ; Physics ; Nanotechnology Thermal properties of materials ; Advanced Thermoelectric Materials and Devices ; Graphene research and applications
Authors: Sergi Vela | Alan Scheidegger | Raimón Fabregat | Clémence Corminbœuf
Source: ChemRxiv (preprint, 2020-08-17)
Field: Materials Science — Materials Chemistry

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain Azobenzene and its derivatives are one of the most-widespread molecular scaffolds in a range of modern applications, as well as in fundamental research. After photoexcitation, azo-based photoswitches revert back to the most stable isomer in a timescale (t1/2) that determines the range of potential applications. Attempts to bring t1/2 to extreme values prompted to the development of azobenzene and azoheteroarene derivatives that either rebalance the E- and Z- isomer stabilities, or exploit unconventional thermal isomerization mechanisms. In the former case, one successful strategy has been the creation of macrocycle strain, which tends to impact the E/Z stability asymmetrically, and thus significantly modifies t1/2. On the bright side, bridged derivatives have shown an improved optical switching owing to the higher quantum yields and absence of degradation. However, in most (if not all) cases, bridged derivatives display a reversed thermal stability (more stable Z-isomer), and smaller t1/2 than the acyclic counterparts, which restricts their potential interest to applications requiring a fast forward and backwards switch. In this paper, we investigate the impact of alkyl bridges to the thermal stability of phenyl-azoheteroarenes using computational methods, and we reveal that is indeed possible to combine such improved photo-switching characteristics while preserving the regular thermal stability (more stable E-isomer), and increased t1/2 values under the appropriate connectivity and bridge length. Photoisomerization ; Azobenzene ; Thermal stability ; Isomerization ; Photoexcitation ; Stability (learning theory) ; Thermal ; Alkyl ; Chemistry ; Molecular switch ; Strain (injury) ; Materials science ; Chemical physics ; Molecule ; Physics ; Computer science ; Excitation ; Thermodynamics ; Organic chemistry ; Quantum mechanics ; Catalysis Photochromic and Fluorescence Chemistry ; Molecular Junctions and Nanostructures ; Organic Electronics and Photovoltaics
Authors: Kemal Özkan | Erol Seke | Şahin Işık
Source: DergiPark (Istanbul University) (article, 2020-05-07)
Field: Chemistry — Analytical Chemistry

Wheat kernels classification using visible-near infrared camera based on deep learning Bu makale, derin öğrenme metodolojisine dayalı hiperspektral buğday verilerinin sınıflandırılması için akıllı bir makine öğrenme sistemi sunmaktadır. Bu amaçla, hiperspektral buğday örneklerinin sınıflandırılması için AlexNet ve VGG16 modellerinin performansları araştırılmıştır. Bu çalışmada, buğday çekirdeklerinin türlerini tahmin etmek için Destek Vektör Makinesi (DVM) ve Softmax sınıflandırıcıları kullanılmıştır. Sistem performansını değerlendirmek için, Görünür Yakın Kızılötesi Görüntüleme (VNIR) kullanılarak 50 buğday türüne ait tür başına 220 görüntü toplamda 11000 örnek içeren yeni bir hiperspektral buğday test veri kümesi oluşturulmuştur. Yeni oluşturulan test veri seti üzerinde yapılan deneylerde, AlexNet ve VGG16 için tamamen bağlı katman (FC6 ve FC7) özellikleri kullanılması durumunda doğrusal DVM sınıflandırıcısı tarafından belirlenen yaklaşık %96.00 ve % 99.00&#039;lık genel doğruluk oranları elde edilmiştir. Softmax sınıflandırıcı ile numunelerin sırasıyla %92 ve %70&#039;i, eğitimli VGG16 ve AlexNet modellerine göre doğru bir şekilde ayırt edilebilmiştir. Elde edilen üstün sonuçlar, derin bir Evrişimsel Sinir Ağları (ESA) mimarisi kullanmanın, buğday türlerinin doğru bir şekilde ayırt edilmesi yoluyla daha verimli olduğunu göstermektedir. Önerilen derin öğrenme temelli sınıflandırma sistemi, gıdalarda kalite analizi, sınıflandırma ve hastalık tespiti için yüksek doğrulukta sonuçlar vaat etmektedir. Artificial intelligence ; Infrared ; Deep learning ; Computer vision ; Remote sensing ; Computer science ; Pattern recognition (psychology) ; Environmental science ; Geology ; Optics ; Physics Spectroscopy and Chemometric Analyses