jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Minghao Li | Wenfu Wang | Tinghong Gao | C. Wang | Qidan Wang | Ji Yu An | Yuzhen Tian
Source: Modern Physics Letters B (article, 2024-02-17)
Field: Materials Science — Materials Chemistry

Holographic matrix method for rapid material structural feature extraction and detection The extraction of the structural features of materials is fundamental for investigating novel properties in fields such as electronic information and biochemistry. However, existing experimental methods have limitations in analyzing material structures with sufficient depth. Therefore, rapid and accurate extraction and analysis of structural features from atomic coordinates obtained through simulation calculations are crucial for advancing the exploration of new material properties. Herein, we propose an approach for extracting the structural features of materials by combining the holographic matrix method with Bayesian optimization and tensor flow operations. The proposed algorithm efficiently classifies and statistically analyzes cluster structures within materials. Experimental validation conducted on a system comprising 8000 atoms demonstrated a correct recognition rate exceeding 99.213%. Moreover, the algorithm achieved an average recognition time of approximately [Formula: see text][Formula: see text]s. The proposed analytical framework exhibits scalability and robustness, establishing an algorithmic foundation for future advancements in big data analytics for complex materials. Computer science ; Robustness (evolution) ; Holography ; Scalability ; Tensor (intrinsic definition) ; Matrix (chemical analysis) ; Algorithm ; Feature extraction ; Big data ; Data mining ; Artificial intelligence ; Pattern recognition (psychology) ; Materials science ; Mathematics ; Physics Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Molecular spectroscopy and chirality
Authors: Mohammad Mahdi Sabouri Ghannad
Source:  (preprint, 2024-02-22)
Field: Materials Science — Materials Chemistry

Simulation and Response Prediction of Shape Memory Alloy (SMA)-based Steel Beam-column Connections with Steel Angles &lt;p&gt;The main goal of this research is to develop equations which can be used for predicting the cyclic response of steel beam-column connections with superelastic Shape Memory Alloy (SMA) bolts and steel angles. Finite-element (FE) models are developed to simulate the cyclic behavior of SMA connections. The results are then validated against seven specimens from a previous experimental study. The validated models are used to perform sensitivity and response surface studies. Beam web slenderness ratio, SMA bolt diameter, and angle thickness are identified as the most significant factors affecting the cyclic response of SMA connections. Angle yielding is also found to be the dominant limit state in all connections, confirming their robust self-centering response. It is recommended to use beams of lower depth to minimize residual deformations and avoid early bolt fracture in these connections. The developed surrogate models can be used to accurately predict the SMA connections’ cyclic response.&lt;/p&gt; SMA* ; Shape-memory alloy ; Structural engineering ; Materials science ; Finite element method ; Beam (structure) ; Residual ; Fracture (geology) ; Pseudoelasticity ; Composite material ; Computer science ; Engineering ; Martensite ; Microstructure Shape Memory Alloy Transformations ; Structural Load-Bearing Analysis ; Structural Behavior of Reinforced Concrete
Authors: Gopal R. Iyer | Brenda M. Rubenstein
Source: arXiv (Cornell University) (preprint, 2024-01-01)
Field: Materials Science — Materials Chemistry

Atomistic Descriptor Optimization Using Complementary Euclidean and Geodesic Distance Information Descriptors are physically-inspired schemes for representing atomistic systems that play a central role in the construction of models of potential energy surfaces. Although physical intuition can be flexibly encoded into descriptor schemes, they are generally ultimately guided only by the spatial or topological arrangement of atoms in the system. Here, we propose a novel approach for the optimization of descriptors based on encoding information about geodesic distances along potential energy manifolds into the hyperparameters of commonly used descriptor schemes. To accomplish this, we combine two ideas: (1) a differential-geometric approach for the fast estimation of approximate geodesic distances; and (2) an information-theoretic evaluation metric - information imbalance - for measuring the shared information between two distance measures. Using the MD22 datasets of ethanol, malonaldehyde, and aspirin, we first show that Euclidean (in Cartesian coordinates) and geodesic distances are inequivalent distance measures, indicating the need for updated ground-truth distance measures that go beyond the Euclidean distance. We then utilize a Bayesian optimization framework to show that descriptors (in this case, atom-centered symmetry functions) can be optimized to maximally express a certain type of distance information, such as Euclidean or geodesic information. We also show that modifying the Bayesian optimization algorithm to minimize a combined Euclidean+geodesic objective function can yield descriptors that not only express both Euclidean and geodesic distance information simultaneously, but in fact resolve substantial disagreements between descriptors optimized to encode only one type of distance measure. We discuss the relevance of our approach to the design of more physically rich and informative descriptors that can encode useful, alternative information about molecular systems. Geodesic ; Euclidean distance ; Euclidean geometry ; Computer science ; Mathematics ; Artificial intelligence ; Combinatorics ; Geometry Machine Learning in Materials Science ; Computational Drug Discovery Methods ; X-ray Diffraction in Crystallography
Authors: Yuliia Shaforost
Source: Scientific Bulletin of Uzhhorod University Series «Pedagogy Social Work» (article, 2024-05-13)
Field: Chemistry — Physical and Theoretical Chemistry

THE CROSSENS METHOD AS AN ELEMENT OF EDUTAINMENT. USE IN CHEMISTRY LESSONS The purpose of this paper is to reveal the features of using the interactive crossense tool as an element of edutainment in chemistry classes and highlight the advantages and difficulties of their use. The following scientific methods are used in this paper: the literature screening; the experts’ opinions on the educational trends; definition of the essence of the researched concepts «crossense», «edutainment»; generalization and systematization of scientific sources to determine the state of the problem; comparison of different approaches and identification of leading research concepts. Computerization and access to the Internet in an open knowledge society opens up new opportunities for learning, involving students in an active learning process and stimulating their development. Edutainment, as a contemporary method of learning with interactive technologies and entertainment elements, has become an effective tool for improving education and preparing students for the demands of the modern world. The use of new media and entertainment methods in education provides an exciting and effective learning environment that contributes to the development of various skills and preparation for the challenges of the modern world. The popularity of the crossense method as a component of edutainment indicates the need to introduce innovative approaches to learning, especially in the field of chemistry, to ensure the interest and effectiveness of learning. The importance of introducing the crossense method into the chemistry learning process is highlighted, and its effectiveness in engaging students in the subject and increasing their success is demonstrated. By using the analysis of practical examples and scientific studies, it is demonstrated how the application of the crossense method can make chemistry learning exciting and effective. It is noted that with the development of ICT, elements of edutainment have become extremely popular and successful among different age groups, which contributes to increasing interest in learning and improving its results among participants of the educational process. The school students survey results concerning their attitude to crossense are presented. It was established that the majority of respondents have a positive attitude towards the use of crossense in chemistry lessons. Element (criminal law) ; Chemistry ; Computer science ; Nanotechnology ; Materials science ; Political science Various Chemistry Research Topics ; Education Methods and Technologies ; Innovative Educational Technologies
Authors: Konstantinos Apostolou | Amin Reza Rajabzadeh
Source:  (article, 2024-02-06)
Field: Chemistry — Physical and Theoretical Chemistry

Work-in-Progress: Student reactions to an Open Textbook on Mass and Energy balances in the field of process automation.A chemical engineer with a Dipl.Eng. from the Aristotle University in Greece and a Ph.D. from the University of Minnesota, he has been teaching at McMaster for over ten years in a variety of fundamental engineering and process modeling courses.In his courses he strives to help his students reach and increase their potential, while equipping them with the tools necessary to become productive citizens.To achieve that, he uses ample active learning in the classroom, blended learning through on-line quizzes, and practical training through labs. Work (physics) ; Computer science ; Energy (signal processing) ; Engineering ; Physics ; Mechanical engineering Various Chemistry Research Topics ; Science Education and Pedagogy ; Educational Strategies and Epistemologies
Authors: Balwant S. Chohan | Robert M. Crable | Rod Kreuter | Dan G. Sykes
Source: The Chemical Educator (article, 2024-02-01)
Field: Chemistry — Physical and Theoretical Chemistry

Construction of an AM Radio in a Chemistry Lab Despite the critical role electronics plays in instrument design and data collection and processing, the teaching of electronics in analytical chemistry has diminished. More commonly, current instructional methods focus on a systems approach to instrumentation that stresses design layout using preconfigured modular electronic components. This article describes the construction of a low-cost AM radio that places a greater emphasis on the design and construction of electronic circuits. The project uses active learning strategies so that students must problem-solve, think creatively, and learn to work in a team environment as they design electronic circuits to achieve the project goal. The activity serves as a platform for more sophisticated student DIY semester-long projects such as Raman spectrometers, NMR probes, and cyclic voltammeters among many other instruments. Modular design ; Electronics ; Instrumentation (computer programming) ; Focus (optics) ; Work (physics) ; Electronic design ; Emphasis (telecommunications) Various Chemistry Research Topics ; Engineering Education and Pedagogy ; Experimental Learning in Engineering
Authors: Vessela Pavlova
Source: Natural Science and Advanced Technology Education (article, 2024-03-01)
Field: Chemistry — Physical and Theoretical Chemistry

The use of context in chemistry education for engagement of 9-th grade students on the topic of monohydric alcohols The study of alcohols is an important topic in the chemistry curriculum. At the same time alcohol abuse has a significant negative effect on the human health and is a social problem. This article presents a practice to involve the context in learning the topic “Monohydric alcohols” in 9th grade by illustrating the meaning and appropriate use of alcohols trough examples of everyday life, promoting active learning and problem solving. To evaluate students’ engagement in the Context-Based Learning, pedagogical observation and analysis of task solutions was conducted. The ninth graders of 91. German Language High School participated in this research divided into a control (n=25) and experimental (n=25) group. The results show more clearly expressed indicators of a cognitive, behavioral, and affective engagement by the students of experimental group. When solving problem-based tasks in а context, the same students demonstrate skills for working with information, assessing benefits and risks of alcohols use, and solving a real problem to a greater extent. Context (archaeology) ; Chemistry ; Psychology ; Chemistry education ; Mathematics education ; Medical education ; Medicine ; Social psychology ; History ; Archaeology Various Chemistry Research Topics
Authors: Ashish Mishra | Ashish Joshi
Source: RW Materials. (article, 2024-03-01)
Field: Materials Science — Materials Chemistry

A Numerical Study on the Ballistic Trauma of B4C ceramic backed UHMWPE Composite Armor System A ceramic-based armor system is required to stop bullet penetration and effectively dissipate high-impact energy.Exceeding the threshold value of behind-armor ballistic/blunt trauma (BABT), which denotes the momentum transferred to the human body, can lead to grave harm or fatality to the wearer, irrespective of whether the target is penetrated.This research delves into the ballistic response of body armor comprising a boron carbide (B4C) plate supported by a unidirectional ultrahigh molecular weight polyethylene (UD-UHMWPE) fiber composite.The armor is subjected to kinetic energy resulting from a hard steel projectile impacted with velocity of 800 m/s.A gelatin block serves as a surrogate model to replicate the human torso.The numerical analysis of three-dimensional nonlinear deformations of ceramic-composite armor system is performed using ASNSYS/AUTODYN software, employing the full integration rule to compute the Lagrangian elemental matrices.The study evaluates the mechanism of deformation of the ceramic integrated composite target, where the gelatin block demonstrates a maximum cavity depth of 21.65 mm.Additionally, the calculation includes the impact pressure resulting from momentum transfer to human tissue, with a maximum pressure of 15.2 MPa detected near the cavity area and gradually diminishing towards the back surface of the gelatin block.This analysis enables the assessment of body injury extent caused by impact, considering the depth of temporary cavity and peak pressure formed in the gelatin block. Armour ; Materials science ; Composite number ; Ceramic ; Composite material ; Ceramic composite ; Ballistic impact High-Velocity Impact and Material Behavior ; Advanced ceramic materials synthesis ; Energetic Materials and Combustion
Authors: Nita Thalia
Source:  (preprint, 2024-11-01)
Field: Chemistry — Physical and Theoretical Chemistry

Challenges in Understanding the Redox Reaction Concept among Level 200 Students in Science Colleges of Education in Ghana This study examines the common challenges and misconceptions pre-service teachers face in understanding redox reactions within electrochemistry. It also explores the effects of different instructional methods, comparing traditional lecture-based approaches with innovative strategies like problem-based learning. The study utilized a mixed methods approach, incorporating both qualitative and quantitative data. This methodology is effective in improving inferences and minimizing bias associated with single-method studies. The study aimed to address pre-service teachers’ challenges in redox reactions by using a mixed method sequential explanatory design. This design involved first collecting and analyzing quantitative data, followed by qualitative data collection and analysis. The purpose of this design was to use qualitative findings to clarify and interpret quantitative results. In the quantitative phase, a diagnostic test for reduction-oxidation reactions (RORDT) was administered to identify and categorize challenges, followed by a questionnaire. The qualitative phase involved one-on-one interviews to explore the reasons behind these challenges. This approach was specifically tailored to study and find solutions for common redox reaction challenges among pre-service teachers in Ghana’s Colleges of Education. After the quantitative analysis, students with various performance levels were interviewed to gain deeper insights into their reasoning. This study identifies the common difficulties in writing chemical equations, comprehending half-reactions, and the functions of salt bridges. Contributing factors to these misconceptions include language barriers, rote learning, and inadequate foundational knowledge coupled with ineffective teaching strategies. The findings underscore the importance of constructivist theories in addressing these educational challenges, emphasizing active learning, collaboration, and reflective thinking to enhance comprehension. This study contributes to the development of pedagogical content knowledge among chemistry educators, aiming to improve teaching practices and student outcomes in electrochemistry. Redox ; Mathematics education ; Science education ; Political science ; Pedagogy ; Chemistry ; Sociology ; Psychology ; Inorganic chemistry Various Chemistry Research Topics
Authors: K. Araki | Richard Z. Zhang
Source:  (article, 2024-08-05)
Field: Materials Science — Surfaces, Coatings and Films

Double-Sided Spectrally Splitting Contrast Grating for an Asymmetric Thermal Regulation Window Abstract A window with tailored asymmetric thermal regulation can be achieved with thin film coupled gratings that demonstrate spectral splitting. The proposed double-sided contrast gratings can split the incoming beam between the solar wavelength and mid-infrared ranges. This study investigates grating and multilayer material configurations with selective and mixed transparency I the visible versus the infrared. Our computational methodology to build and stack successive grating structures with broadband spectral reflection and transmission is based on Bayesian optimization. The geometric parameters are optimized so that it allows directional transmission through 0th order and 1st order diffraction orders. The mechanism of the proposed stacks is achieved with zero contrast grating (ZCG) whose exit plane of the grating have no index gradient. As a result, the window rejects visible light through normal direction, while mid-infrared light passes through. Vice-versa, visible light exits the window in oblique angle. Without solar energy incoming directly normal to the window, it prevents direct heating of the medium in the normal direction underneath the window. Meanwhile, thermal radiative heat exchange with surroundings is only limited to the normal direction. This nano/microscale grating-based spectral beam splitting strategy can promote passive thermal regulation of automotive, home, and industrial environments. Grating ; Optics ; Window (computing) ; Contrast (vision) ; Thermal ; Materials science ; Physics ; Computer science Optical Coatings and Gratings ; Photonic and Optical Devices ; Semiconductor Lasers and Optical Devices
Authors: Raúl A. Márquez | Emma Kalokowski | Michael Espinosa | Víctor H. Ramos-Sánchez | Luis F. Rodrı́guez | F. Rosa | Charles Buddie Mullins
Source: ECS Meeting Abstracts (article, 2024-11-22)
Field: Chemistry — Physical and Theoretical Chemistry

(Invited) Active Learning Strategies for Teaching Electrochemical Energy Conversion and Storage: Insights from Science Clubs Electrochemistry is rapidly growing, yet its crucial role in emerging industries and research is not sufficiently mirrored in the curriculum of US and Mexican universities. While undergraduate students are briefly exposed to basic electrochemistry concepts within general and physical chemistry courses, dedicated electrochemistry education is often reserved for graduate programs. Furthermore, teaching electrochemistry is challenging as it is a multifaceted subject encompassing concepts from various disciplines. Despite this complexity, electrochemistry equips students with invaluable skills in analytical chemistry, experimental design, instrumental analysis, and device engineering. Recognizing the need for a skilled workforce to meet the demands of emerging industries, it is imperative to reinvigorate electrochemistry education and introduce it at the early undergraduate level to foster interest and deeper engagement. To bridge this educational gap, we have developed a science workshop focusing on teaching electrochemical energy conversion and storage concepts to high school and early undergraduate students. As part of Clubes de Ciencia MX , a Mexican initiative promoting science and engineering summer workshops, this unique experience has utilized active learning strategies to teach and encourage electrochemistry for two consecutive years. The workshop covers five fundamental areas ( Figure 1 ): electrochemistry basics, water electrolysis, electrocatalysis, fuel cells, and battery technology. By integrating short lectures, group discussions, and interactive learning through experiments, games, and project-based activities, we strive to ignite students' passion for electrochemistry. We have also conducted assessments to examine the workshop's effectiveness and influence on students' understanding of the role of electrochemistry in climate empowerment and sustainability. This unique experience aims to captivate and inspire early-career students, nurturing the next generation of scientists and engineers who will revolutionize our world. Figure 1 Curriculum ; Sustainable energy ; Engineering ethics ; Mathematics education ; Computer science ; Engineering ; Pedagogy ; Psychology ; Electrical engineering Various Chemistry Research Topics
Authors: Kaili Zhang | Momang Tian | Ke‐Juan Meng | Yuxiang Li | Iftikhar Hussain
Source: Research Square (preprint, 2024-09-23)
Field: Materials Science — Materials Chemistry

MXene Templated Assembly of Hierarchical Al/CuO/V2C Nanothermite with Excellent Energy Release Efficiency and Highly Tunable Performance Materials science ; Energy (signal processing) ; Nanotechnology ; Optoelectronics ; Physics MXene and MAX Phase Materials ; Aluminum Alloys Composites Properties ; Advanced ceramic materials synthesis