jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Dmitrii Khokhriakov
Source: Chalmers Research (Chalmers University of Technology) (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Graphene spin circuits and spin-orbit phenomena in van der Waals heterostructures with topological insulators Spintronics offers an alternative approach to conventional charge-based information processing by using the electron spin for next-generation non-volatile memory and logic technologies. To realize such technologies, it is necessary to develop spin-polarized current sources, spin interconnects, charge-to-spin conversion processes, and gate-tunable spintronic functionalities. The recently emerged two-dimensional (2D) and topological materials represent a promising platform to realize such spin-based phenomena. Due to its small spin-orbit coupling (SOC), graphene was predicted to preserve electron spin coherence for a long time, making it an ideal material for spin communication. In contrast, topological insulators (TIs) have high SOC and develop a nontrivial band structure with insulating bulk but conducting spin-polarized surface states. Combining these materials in van der Waals heterostructures has been predicted to give rise to unique proximity-induced spin-orbit phenomena that may be used for electrical control of spin polarization.In this thesis, we experimentally prove that the large-area chemical vapor deposited (CVD) graphene is an excellent material choice for the realization of robust spin interconnects, which are capable of spin communication over channel lengths exceeding 34 μm. Utilizing such graphene, we realize a spin summation operation in multiterminal devices and employ it to construct a prototype spin majority logic gate operating with pure spin currents. In topological insulators, we electrically detect the spin-momentum locking and reveal how the bulk and surface conducting channels affect the charge-to-spin conversion efficiency. Finally, by combining graphene and TIs in hybrid devices, we confirm the emergence of a strong proximity-induced SOC with a Rashba spin texture in graphene. We further show that in such heterostructures a spin-charge conversion capability is induced in graphene via the spin-galvanic effect at room temperature and reveal its strong tunability in magnitude and sign by the gate voltage. These findings demonstrate the robust performance of graphene as a spin interconnect for emerging spin-logic architectures and present all-electrical and gate-tunable spintronic devices based on graphene-TI heterostructures, paving the way for next-generation spin-based computing. Spintronics ; Topological insulator ; Spin engineering ; Graphene ; Spin (aerodynamics) ; Spin transistor ; Spin Hall effect ; Condensed matter physics ; Spinplasmonics ; Heterojunction ; Spin polarization ; Surface states ; Topology (electrical circuits) ; Materials science ; Physics ; Electron ; Nanotechnology ; Quantum mechanics ; Electrical engineering ; Ferromagnetism ; Surface (topology) Diamond and Carbon-based Materials Research ; Graphene research and applications ; Chemical and Physical Properties of Materials
Authors: T. Bernhard | Roger Massey | Kilian Klaeden | Sebastian Zarwell | Stefan Kempa | E. Steinhaeuser | Sascha Dieter | F. Brüning
Source: International Symposium on Microelectronics (article, 2021-10-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Copper Crystal Structures in Plated Microvias. Their Recrystallisation and a Means to Identify Joints at Risk of Premature Failure Abstract Plated microvias are widely used within todays PCB industry as a means of achieving the high-density designs that are required in modern mobile devices, however, there has been growing concern regarding their long term reliability performance when stacked directly on top of each other. Blind microvias (BMV) have a potentially complex metallurgical structure, with several interfaces located around the target pad - electroless Copper - electrolytic Copper joint. While field experience as shown that there are typically two major types of crystal structures formed across the BMV base, there has been little reported work investigating how or why such structures develop. In this paper, we review these two commonly observed microstructures within filled BMVs and offer proposals on how such structures are created. We subsequently describe a novel means to indicate if the microstructure of a BMV is likely to have a tendency for an early onset of failure. Microstructure ; Copper ; Materials science ; Reliability (semiconductor) ; Joint (building) ; Crystal plasticity ; Metallurgy ; Structural engineering ; Engineering ; Physics Copper Interconnects and Reliability ; Electrodeposition and Electroless Coatings ; Electronic Packaging and Soldering Technologies
Authors: Victor V. Volkov | Hendrik Heinz | Carole C. Perry
Source: Physical Chemistry Chemical Physics (article, 2021-01-01)
Field: Materials Science — Biomaterials

Anchoring of a hydrophobic heptapeptide (AFILPTG) on silica facilitates peptide unfolding at the abiotic–biotic interface A hydrophobic heptapeptide, with sequence AFILPTG, as part of a phage capsid protein binds effectively to silica particles carrying negative charge. Here, we explore the silica binding activity of the sequence as a short polypeptide with polar N and C terminals. To describe the structural changes that occur on binding, we fit experimental infrared, Raman and circular dichroism data for a number of structures simulated in the full configuration space of the hepta-peptide using replica exchange molecular dynamics. Quantum chemistry was used to compute normal modes of infrared and Raman spectra and establish a relationship to structures from MD data. To interpret the circular dichroism data, instead of empirical factoring of optical activity into helical/sheet/random components, we exploit natural transition orbital theory and specify the contributions of backbone amide units, side chain functional groups, water, sodium ions and silica to the observed transitions. Computed optical responses suggest a less folded backbone and importance of the N-terminal when close to silica. We further discuss the thermodynamics of the interplay of charged and hydrophobic moieties of the polypeptide on association with the silica surface. The outcomes of this study may assist in the engineering of novel artificial bio-silica heterostructures. Anchoring ; Abiotic component ; Peptide ; Chemistry ; Atomic orbital ; Interface (matter) ; Materials science ; Computational chemistry ; Chemical engineering ; Molecule ; Organic chemistry ; Physics ; Ecology ; Biochemistry ; Biology Diatoms and Algae Research ; Spectroscopy and Quantum Chemical Studies ; Mass Spectrometry Techniques and Applications
Authors: Michael Sheyka | Mahmoud Reda Taha | Tariq Khraishi | Ihab El-Kady | Mehmet F. Su
Source:  (article, 2021-12-14)
Field: Materials Science — Surfaces, Coatings and Films

Simulation of Damage in Three Dimensional Metallic Photonic Crystal Due to Micro-indentation Photonic crystals (PC) are synthetic materials that can be used to control light propagation. PC have a frequency bandgap where light is forbidden to propagate. This bandgap is strongly tied to the microstructure of the photonic crystal. Three-dimensional Tungsten photonic crystal in a Lincoln-log microstructure has been suggested as a strong alternative filter in photo voltaic cells with significantly high power efficiency. Mechanical characterization of Tungsten PC can be performed using means of microindentation. Indentation ; Photonic crystal ; Materials science ; Metal ; Optics ; Optoelectronics ; Photonics ; Composite material ; Metallurgy ; Physics Optical Coatings and Gratings ; Photonic Crystals and Applications ; Nanofabrication and Lithography Techniques
Authors: Quentin C.P. Bourgogne | Vanessa Bouchart | Pierre Chévrier
Source: Comptes Rendus Mécanique (article, 2021-10-12)
Field: Materials Science — Polymers and Plastics

On the physical interpretation of pseudo-plastic behaviour of polymers and prediction for various environmental conditions This paper reports the development of a theory allowing the prediction of the uniaxial mechanical behaviour of thermoplastics as a function of temperature and liquid absorption. This theory takes into account the influence of glass transition temperature and relies on physical phenomena like damage accumulation and molecular-chain motion in order to provide a better understanding of the microstructure changes during the solicitation and their influence on mechanical properties. The theory was validated on a neat polyphenylene sulfide (PPS) and provided good predictions and correlations with experimental data for every environmental configuration studied. Interpretation (philosophy) ; Materials science ; Polymer ; Glass transition ; Function (biology) ; Sulfide ; Microstructure ; Absorption (acoustics) ; Thermodynamics ; Statistical physics ; Chemical physics ; Composite material ; Computer science ; Chemistry ; Physics Polymer crystallization and properties ; Mechanical Behavior of Composites ; Polymer Nanocomposites and Properties
Authors: A. A. Zhirkova | П. В. Балабанов | А. Г. Дивин
Source: Vestnik Tambovskogo gosudarstvennogo tehnicheskogo universiteta (article, 2021-01-01)
Field: Chemistry — Analytical Chemistry

Selecting Lighting Sources with Optical-Electronic Control of Fruit Quality The analysis of the radiation spectrum of various sources used in technical vision systems is carried out. Recommendations are given on the choice of the type of source for problems of optical control in the ultraviolet, visible and near infrared ranges of radiation spectra. Quality (philosophy) ; Optical radiation ; Radiation ; Ultraviolet ; Infrared ; Control (management) ; Electromagnetic spectrum ; Ultraviolet radiation ; Light source ; Optics ; Environmental science ; Computer science ; Optoelectronics ; Materials science ; Physics ; Artificial intelligence ; Chemistry ; Radiochemistry Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Advanced Scientific Research Methods
Authors: Julia Dshemuchadse | Pablo F. Damasceno | Carolyn L. Phillips | Sharon C. Glotzer | Michael Engel
Source: Acta Crystallographica Section A Foundations and Advances (article, 2021-08-14)
Field: Materials Science — Materials Chemistry

Beyond the constraints of chemistry: crystal structure discovery in particle simulation data Particle (ecology) ; Crystal structure prediction ; Crystal structure ; Crystallography ; Materials science ; Chemistry ; Chemical physics ; Statistical physics ; Physics ; Geology Enzyme Structure and Function ; Geochemistry and Geologic Mapping ; X-ray Diffraction in Crystallography
Authors: Jingye Tan | Pedram Maleki | Lu An | Massimigliano Di Luigi | Umberto Villa | Chi Zhou | Shenqiang Ren | Danial Faghihi
Source: arXiv (Cornell University) (preprint, 2021-07-22)
Field: Chemistry — Spectroscopy

A Predictive Multiphase Model of Silica Aerogels for Building Envelope Insulations This work develops a multiphase thermomechanical model of porous silica aerogel and implements an uncertainty analysis framework consisting of the Sobol methods for global sensitivity analyses and Bayesian inference using a set of experimental data of silica aerogel. A notable feature of this work is implementing a new noise model within the Bayesian inversion to account for data uncertainty and modeling error. The hyper-parameters in the likelihood balance data misfit and prior contribution to the parameter posteriors and prevent their biased estimation. The results indicate that the uncertainty in solid conductivity and elasticity are the most influential parameters affecting the model output variance. Also, the Bayesian inference shows that despite the microstructural randomness in the thermal measurements, the model captures the data with 2% error. However, the model is inadequate in simulating the stress-strain measurements resulting in significant uncertainty in the computational prediction of a building insulation component. Bayesian inference ; Sobol sequence ; Bayesian probability ; Uncertainty quantification ; Randomness ; Inference ; Computer science ; Algorithm ; Mathematics ; Statistics ; Monte Carlo method ; Machine learning ; Artificial intelligence Aerogels and thermal insulation ; Building Energy and Comfort Optimization
Authors: Radeesha Laknath Agampodi Mendis | Atsushi Sekimoto | Yasunori Okano | Hisashi Minakuchi | S. Dost
Source: Institutional Repositories DataBase (IRDB) (article, 2021-01-26)
Field: Materials Science — Materials Chemistry

The Relative Contribution of Solutal Marangoni Convection to Thermal Marangoni Flow Instabilities in a Liquid Bridge of Smaller Aspect Ratios under Zero Gravity The effect of solutal Marangoni convection on flow instabilities in the presence of thermal Marangoni convection in a Si-Ge liquid bridge with different aspect ratios A_s has been investigated by three-dimensional (3D) numerical simulations under zero gravity. We consider a half-zone model of a liquid bridge between a cold (top plane) and a hot (bottom plane) disks. The highest Si concentration is on the top of the liquid bridge. The aspect ratio (A_s) drastically affects the critical Marangoni numbers: the critical solutal Marangoni number (under small thermal Marangoni numbers (Ma_TA_s<_~1800)) has the same dependence on As as the critical thermal Marangoni number (under small solutal Marangoni numbers (400<_~Ma_CA_s<_~800)), i.e., it decreases with increasing A_s. The azimuthal wavenumber of the traveling wave mode increases as decreasing A_s, i.e., larger azimuthal wavenumbers (m=6,7,11,12, and 13) appear for A_s=0.25, and only m=2 appears when A_s is one and larger. The oscillatory modes of the hydro waves have been extracted as the spatiotemporal structures by using dynamic mode decomposition (DMD). The present study suggests a proper parameter region of quiescent steady flow suitable for crystal growth for smaller aspect ratios of the liquid bridge. Marangoni effect ; Marangoni number ; Convection ; Wavenumber ; Zero gravity ; Thermal ; Flow (mathematics) Solidification and crystal growth phenomena ; Fluid Dynamics and Thin Films ; Nonlinear Dynamics and Pattern Formation
Authors: Pavlo P. Nechypurenko | Сергій Олексійович Семеріков
Source:  (article, 2021-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Developing Research Competencies in High School Students Through Specialized Chemistry Education: A Computer-Based Approach The article discusses the trends in the development of the education system with a focus on specialized education in chemistry. The goal of specialized education is to deepen theoretical knowledge, improve practical skills, and foster independent and continuous self-education in students. The school chemistry course prioritizes the unity of theory and practice, a research approach to teaching, and differentiation. Research competencies are described as new personality formations that develop gradually in the process of educational and research activities. Specialized chemistry education is the optimal form for the formation and development of students’ research competencies. The key concept of the study is research competencies of high school students in specialized chemistry teaching, which are defined as a systemic professionally oriented property of the student’s personality. A system of research competencies of high school students in specialized chemistry education is designed, consisting of three groups: general scientific research competencies, scientific research competencies, and special chemical research competencies. The article also discusses the stages of educational and research activities, lesson and extracurricular forms of organizing educational and research activities, and the importance of forming research competencies in students. Mathematics education ; Computer science ; Chemistry education ; Medical education ; Psychology ; Medicine Various Chemistry Research Topics ; Genetics, Bioinformatics, and Biomedical Research ; Educational Strategies and Epistemologies
Authors: Л. М. Данилова | О. І. Лисак
Source: Інновації молоді в машинобудуванні (article, 2021-06-02)
Field: Materials Science — General Materials Science

Вплив зносу інструменту на шорсткість поверхні при токарному обробленні У даній роботі була досліджена токарна обробка з точки зору якості поверхні заготовки і зносу різальних інструментів. Дослідження показує взаємозв'язок між вихідними і вхідними параметрами, такими як подача, радіус при вершині пластини і метод нанесення покриття. Обрані методи нанесення покриття – це методи MT-CVD і PVD і, крім цього, розглядалась роль різних матеріалів покриття – багатошарову покриття TiCN / Al2O3 / TiN і одношарове TiAlN на карбідній основі.&#x0D; In this work, turning in terms of surface quality of the workpiece and wear of cutting tools was investigated. The study shows the relationship between output and input parameters, such as feed, radius at the top of the plate and the method of coating. The selected coating methods are MT-CVD and PVD methods and, in addition, the role of different coating materials was considered - multilayer coating TiCN / Al2O3 / TiN and single-layer TiAlN based on carbide. Coating ; Materials science ; Tin ; Metallurgy ; Layer (electronics) ; Physical vapor deposition ; Carbide ; Cemented carbide ; Composite material Material Properties and Applications ; Advancements in Materials Engineering ; Surface Treatment and Coatings
Authors: Thi Kieu Tiên | Eike Reich
Source: CHIMIA International Journal for Chemistry (article, 2021-12-18)
Field: Chemistry — Analytical Chemistry

Moving Standardization of HPTLC to the Next Level Standardization ; Computer science ; Process engineering ; Chromatography ; Chemistry ; Engineering ; Operating system Chromatography in Natural Products ; Natural product bioactivities and synthesis ; Analytical Chemistry and Chromatography
Authors: Ying Gao | Hongqi Liu
Source: E3S Web of Conferences (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Control-oriented modeling of diesel oxidation catalyst Diesel oxidation catalyst outlet temperature control is crucial for heat management to realize diesel particulate filter active regenerative control. In order to control the temperature of the active regeneration process in the filter, the temperature response process of the semi-physical oxidation catalyst model structure is proposed as a multi-stage inertia plus delay, and the equivalent inlet temperature step of the fuel oxidation reaction of the exhaust pipe. Combined with the test test, the control oriented oxidation catalyst model is established.A control-oriented oxidation catalyst model was constructed. By analysed the oxidation catalyst working process, the main chemical reactions, heat and mass transfer processes occurring inside the carrier were analyzed. Three-dimensional CFD model and one-dimensional chemical reaction kinetics model were established respectively. The radial and axial temperature distribution of the carrier was analyzed by model simulation. Based on the analysis of the system characteristics, the multi-step inertia plus delay semi-physical model structure was proposed. Combined with the test, the control oriented oxidation catalyst model is established. Select the appropriate working conditions to identify and verify the model parameters. The results show that the third order model can well indicate the temperature response characteristics of the oxidation catalyst outlet temperature. Considering the complexity of the system, the first-order and third-order model are selected as the basis of the control system design. Diesel particulate filter ; Catalysis ; Diesel fuel ; Inertia ; Temperature control ; Process (computing) ; Materials science ; Chemical engineering ; Process engineering ; Chemistry ; Engineering ; Mechanical engineering ; Waste management ; Computer science ; Organic chemistry ; Physics Catalytic Processes in Materials Science ; Vehicle emissions and performance ; Industrial Gas Emission Control
Authors: Uttam Kumar Chowdhury
Source: Journal of Artificial intelligence and Machine Learning (article, 2021-01-01)
Field: Materials Science — Biomaterials

How Nanotechnology can Revolutionize Drug Delivery ing advancements over the years, which have transformed treatments and tremendously improved global quality of life. From specialized medical machines and advanced imaging to automated drug administration and robot-assisted surgeries, there have been countless highly impressive technological advancements in the healthcare sector. And among the many revolutionary developments in nanomedicine, one that stands out is drug delivery through nanotechnology Drug delivery ; Healthcare delivery ; Health care ; Quality (philosophy) ; Drug administration ; Targeted drug delivery ; Healthcare system Nanoparticle-Based Drug Delivery ; Nanotechnology research and applications ; Graphene and Nanomaterials Applications
Authors: Г.Б. Крыжевич | A. Filatov
Source: МОРСКИЕ ИНТЕЛЛЕКТУАЛЬНЫЕ ТЕХНОЛОГИИ (article, 2021-06-20)
Field: Materials Science — Materials Chemistry

Mathematical modeling of the fatigue cracks propagation and fatigue life estimation of aluminum structures with slot welds Объектом исследования является конструкция верхней палубы соединительного моста высокоскоростного катамарана, выполненного из алюминиевого сплава 1561 (АМг61). Высокая плотность компоновки моста технологически не позволяет выполнять приварку рёбер жёсткости к настилу верхней палубы непрерывным сварным ш вом. Целью работы является расчётная оценка усталостной трещиностойкости конструкции верхней палубы при выполнении сварки прорезным сварным швом. Указанная оценка выполнена на основе эмпирического закона Пэриса – Эрдогана. При этом поскольку конструкция верхней палубы находится в сложном напряжённом состоянии, требуется учёт совместного влияния всех трёх механизмов роста трещин. В результате расчёта получены зависимости длин трещин и коэффициентов интенсивности напряжений от числа циклов нагружения, а также характер роста трещин. Выявлено, что доминирующим механизмом роста трещин является механизм среза, а не отрыва или сдвига. Показано, что прорезные сварные швы могут быть использованы в слабонагруженных алюминиевых конструкциях. The object of research is the structure of the upper deck of the connecting bridge of a high-speed catamaran, made of 1561 (AMg61) aluminum alloy. The high density of the bridge layout technologically does not allow welding of the stiffeners to the upper deck flooring with a continuous weld. The aim of the work is to estimate the fatigue crack resistance of the upper deck structure when welding with a slot weld. The specified estimate is based on the empirical Paris – Erdogan equation. In this case, since the structure of the upper deck is in a complex stress state, it is required to take into account the joint influence of all three mechanisms of crack growth. As a result of the calculation, the dependences of the crack lengths and equivalent stress intensity factors on the number of loading cycles, as well as the nature of crack growth. It has been revealed that the dominant mechanism of crack growth is the tearing mode, not opening or shearing mode. It is shown that slot welds can be used in lightly loaded aluminum structures. Structural engineering ; Deck ; Welding ; Tearing ; Shearing (physics) ; Materials science ; Stress intensity factor ; Paris' law ; Fracture mechanics ; Bridging (networking) ; Crack closure ; Engineering ; Composite material ; Computer science Material Properties and Failure Mechanisms ; Engineering Diagnostics and Reliability ; Material Properties and Applications