jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jan Brajer | Martin Dub | František Lopot | P. Malý
Source: MANUFACTURING TECHNOLOGY (article, 2024-12-16)
Field: Materials Science — Materials Chemistry

Advanced Manufacturing Techniques for Lightweight Muon Spectrometer Support Structures in the FCC Project With the rising demand for efficient, lightweight support structures in high-energy physics experiments, advanced manufacturing techniques and material optimization are key to achieving high-performance designs. This study focuses on the application of generative design and topological optimization in the development of support structures for the FCC muon spectrometer. By leveraging these methods, we maximized material efficiency and minimized weight while ensuring structural integrity and meeting strict design constraints, including non-magnetic properties, minimal deformation, and high precision. A detailed evaluation was conducted with respect to manufacturing techniques that balance perfor-mance with cost-effectiveness, resulting in multiple design iterations of optimized truss configurations. This approach demonstrates the potential of modern manufacturing technologies in enhancing the structural and economic viability of components for large-scale scientific equipment. Spectrometer ; Muon ; Nuclear engineering ; Nuclear physics ; Engineering ; Materials science ; Environmental science ; Physics ; Optics Graphite, nuclear technology, radiation studies ; Composite Material Mechanics ; 3D IC and TSV technologies
Authors: M. Sirenko | Olena Karpovych
Source: Journal of Rocket-Space Technology (article, 2024-06-10)
Field: Materials Science — General Materials Science

METHODS OF QUALITY CONTROL FOR AEROSPACE PARTS, PRODUCED WITH 3D-PRINTING OUT OF COMPOSITE-REINFORCED POLYMERS One of the features of parts, made from polymer composite materials, is that the part and material are both formed at once, when the part is being made. Complexity of interaction processes between matrix and reinforcing fiber makes it difficult to achieve prognosed characteristics of part due to possible imperfections of manufacturing processes and technology. Therefore, an important part of parts life cycle is quality control. Quality control can be destructive or non-destructive, the latter giving more information and insight on defects of the part itself and, possibly, at flaws in manufacturing technology. With the increase in popularity of use of additive manufacturing technologies, especially – FDM 3d-printing, in aerospace industry, there’s a need to improve the performance of parts. Benefits of FDM 3d-printing is the absence of need for specialized forming equipment and tools, especially for forming the parts with complex, topologically-optimized geometry and structure. One of the ways to improve printed parts performance and its physical properties is to use continuous fiber reinforcement. Because of need to control the state and position of the fiber in the part, quality control is also an important part of this type of additive manufacturing. Existing popular methods of quality control, used in polymer composite materials part manufacturing were reviewed. Also, the features and limitations, imposed by structure of printed parts and printing technology were reviewed as well, the differences of them and polymer composite parts made in traditional forming ways, were noted too. The destructive testing methods reviewed are tensile stress testing, bend testing and impact stress testing. The non-destructive quality control methods reviewed are visual, acoustic, radiological and ultrasound. Also, recommendations on their use on FDM 3d-printed parts were formed. As a result, visual and ultrasound methods were accepted as non-destructive methods of quality control, with need to perform destructive tests on sample parts as well. Also, as a promising method, thermography was proposed, yet because of the limitation of using it with high-temperature polymers, its utility is also limited. Aerospace ; 3D printing ; Composite number ; Polymer ; Quality (philosophy) ; Materials science ; Composite material ; Manufacturing engineering ; Polymer science ; Aerospace engineering ; Engineering ; Physics Material Properties and Applications ; Additive Manufacturing and 3D Printing Technologies ; Engineering Technology and Methodologies
Authors: Petro Kyrychok | Dmytro Paliukh
Source: Eastern-European Journal of Enterprise Technologies (article, 2024-08-21)
Field: Materials Science — General Materials Science

Determining of the effect of reinforcing microrelief guides on the efficiency of folding integrated covers The object of research is the processes of strengthening the working surfaces of profile folding strips made of stainless steel AISI 347 and carbon steel AISI 1005 using laser formation of microrelief guides. The analytical and experimental studies are based on the technique of laser microrelief formation by pulsed laser effects. The main assumption of the study is that the use of laser microrelief formation could increase the hardness and wear resistance of the folding strips, improving the process of folding integrated covers. Analyzing the effect of different hardening methods on the mechanical properties and wear resistance of the working surfaces of folding strips is necessary to achieve this goal. A methodology for assessing microstructural changes and their impact on the mechanical properties of folding strips during laser hardening has been proposed. It has been shown that the formation of microrelief guides by laser pulse exposure reduces the thermal load on the material, increases the uniformity of hardening and wear resistance. The revealed wear rates calculated for carbon steel AISI 1005 are 0.875, and for stainless steel AISI 347 – 0.345. To improve the accuracy and efficiency of the folding process, a methodology has been devised for calculating the quantitative formation of microrelief guides on the working surface of profile folding strips. This will not only improve the wear resistance and mechanical properties of the strips but also optimize production processes. Differences in the results of hardening for stainless steel AISI 347 and carbon steel AISI 1005 were found: the hardness values for AISI 347 are 3,088–4,904 MPa at a load of 50–350 g with a deviation of 37.1 %, and for AISI 1005 – 2141–1665 MPa with a deviation of 22.3 % Folding (DSP implementation) ; Computer science ; Materials science ; Engineering ; Structural engineering Material Properties and Applications ; Innovations in Concrete and Construction Materials ; Structural mechanics and materials
Authors: V. N. Antonov
Source:  (article, 2024-12-11)
Field: Chemistry — Analytical Chemistry

INFRARED – PROPERTIES AND APPLICATION " " 16-18 2022 170 2 2022 . () 01.07.2022 . 30.06.2023 . (https://www.iybssd2022.org/en/home/), Infrared ; Computer science ; Optics ; Physics Spectroscopy and Chemometric Analyses ; Infrared Target Detection Methodologies ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Xiaochen Wang
Source: Studies in Art and Architecture (article, 2024-12-01)
Field: Materials Science — Materials Chemistry

High-Performance Buildings in Civil Engineering: Structural Optimization and Material Innovation This paper presents a comprehensive study on the application of structural optimization and material innovation in high-performance buildings, along with an in-depth analysis of their economic benefits and environmental impacts. The study finds that by adopting advanced structural optimization techniques and new types of building materials, the energy efficiency of buildings is significantly improved, while reducing the environmental footprint. Although the initial investment is high, the long-term energy-saving effects and environmental benefits prove the cost-effectiveness of these technologies. Policy incentives and market education are crucial for promoting the application of high-performance building technologies. The paper also identifies challenges in implementation and proposes targeted policy recommendations and practical guidance. Finally, the study points out the limitations of the research and suggests future research directions, aiming to promote the widespread adoption and implementation of green buildings to achieve sustainable development in the construction industry. Construction engineering ; Architectural engineering ; Civil engineering ; Engineering ; Business Structural mechanics and materials ; BIM and Construction Integration ; Structural Analysis of Composite Materials
Authors: Mbavhalelo Maumela | Donald Mkhonto | M. N. Mathabathe | Maje Phasha
Source: MATEC Web of Conferences (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Effect of heat treatment on hardness of modified spring steel material Spring steel materials are mainly used for semi-static loading applications. In addition, they provide a proper suspension of engineering structures in order to maintain their structural integrity. In order to meet properties required for engineering service, spring should be able to deform elastically during loading and return to its original shape upon unloading, without any plastic deformation or fracture. A plastic deformation alters the structural integrity, resulting in a loss of spring functionality. Since hardness is one of required primary properties of spring steel, this study conducted several heat treatment designs to optimize hardness of altered spring steel material. Microstructures were acquired and analysed using an optical microscope. A suggested approach for heat treatment design is recommended for engineering applications. Spring (device) ; Spring steel ; Materials science ; Metallurgy ; Composite material ; Structural engineering ; Engineering Metal Alloys Wear and Properties ; Surface Treatment and Coatings ; Material Properties and Applications
Authors: A.X. Rasulev | I.A. Meliboev
Source:  (article, 2024-12-11)
Field: Materials Science — Materials Chemistry

EFFECT OF RADIOACTIVE RADIATION ON THE HUMAN ORGANISM AND PREVENTION FROM RADIOACTIVE RADIATION IN MANUFACTURING ENTERPRISES I welcome all participants of the scientific forum "Radiation Safety in the Modem World"The security situation in the world is surprisingly not stable in the 21st century and the humanity is exposed to unexpected challenges that affect each of us.Chemical and radioactive substances are wonderful helpers and a great result of human progress.Although they are supportive, on the other hand, they can be very dangerous, in the event of accidents or deliberate misuse.Therefore, it is very important to organize conferences of this type, where we, scientists, can participate in promoting world security and safety. Organism ; Radioactive waste ; Radioactive source ; Radiation ; Radiochemistry ; Radionuclide ; Environmental science ; Nuclear engineering ; Waste management ; Computer science ; Chemistry ; Engineering ; Physics ; Nuclear physics ; Biology Graphite, nuclear technology, radiation studies
Authors: Nadji Belkheiri | Mohamed Nadjib Rebizi
Source: Chemia, Dydaktyka, Ekologia, Metrologia (article, 2024-12-01)
Field: Chemistry — Physical and Theoretical Chemistry

Chemistry in the Kitchen: Practical Insights for High School Students Abstract Chemistry plays a crucial role in everyday life, particularly in the kitchen, where its principles can enhance problem-solving skills and informed decision-making. This study aims to evaluate high school students’ understanding of applied chemistry in culinary contexts. A questionnaire was administered to 76 students, revealing that 42.6 % provided correct answers regarding the application of chemistry in the kitchen. The methodology involved analysing students’ responses to assess their awareness and appreciation of chemistry’s practical value. The findings suggest that promoting the application of chemistry principles not only fosters responsible citizenship but also optimises daily life benefits. Future research should explore effective strategies to enhance students’ engagement with chemistry in real-world contexts. Mathematics education ; Chemistry ; Psychology ; Engineering physics ; Engineering Various Chemistry Research Topics ; Science Education and Pedagogy
Authors: A.I. Valov | Nikolay Padarev
Source:  (article, 2024-12-11)
Field: Materials Science — Materials Chemistry

REDUCTION OF IONIZING RADIATION EXPOSURE WITH RADIO PROTECTORS Ionizing radiation ; Non-ionizing radiation ; Reduction (mathematics) ; Radiation ; Environmental science ; Computer science ; Irradiation ; Physics ; Optics ; Nuclear physics ; Mathematics Graphite, nuclear technology, radiation studies
Authors: Celine Man Ying Li | Matthew T. Briggs | Yea-Rin Lee | Teresa Tin | Clifford Young | John Pierides | Gurjeet Kaur | Paul A. Drew | Guy J. Maddern | Peter Hoffmann | Manuela Klingler‐Hoffmann | Kevin Fenix
Source: medRxiv (preprint, 2024-01-25)
Field: Chemistry — Spectroscopy

Use of tryptic peptide MALDI mass spectrometry imaging to identify the spatial proteomic landscape of colorectal cancer liver metastases Abstract Colorectal cancer (CRC) is the second leading cause of cancer-related deaths worldwide. CRC liver metastases (CRLM) are often resistant to conventional treatments, with high rates of recurrence. Therefore, it is crucial to identify biomarkers for CRLM patients that predict cancer progression. This study utilised matrix-assisted laser desorption/ionisation mass spectrometry imaging (MALDI-MSI) in combination with liquid chromatography-tandem mass spectrometry (LC-MS/MS) to spatially map the CRLM tumour proteome. CRLM tissue microarrays (TMAs) of 84 patients were analysed using tryptic peptide MALDI-MSI to spatially monitor peptide abundances across CRLM tissues. Abundance of peptides was compared between tumour vs stroma, male vs female and across three groups of patients based on overall survival (0-3 years, 4-6 years, and 7+ years). Peptides were then characterised and matched using LC-MS/MS. A total of 471 potential peptides were identified by MALDI-MSI. Our results show that two unidentified m/z values (1589.876 and 1092.727) had significantly higher intensities in tumours compared to stroma. Ten m/z values were identified to have correlation with biological sex. Survival analysis identified three peptides (Histone H4, Hemoglobin subunit alpha, and Inosine-5’-monophosphate dehydrogenase 2) and two unidentified m/z values (1305.840 and 1661.060) that were significantly higher in patients with shorter survival (0-3 years relative to 4-6 years and 7+ years). This is the first study using MALDI-MSI, combined with LC-MS/MS, on a large cohort of CRLM patients to identify the spatial proteome in this malignancy. Further, we identify several protein candidates that may be suitable for drug targeting or for future prognostic biomarker development. Cancer ; MALDI imaging ; Proteome ; Colorectal cancer ; Proteomics ; Mass spectrometry ; Peptide ; Biomarker ; Medicine ; Internal medicine ; Oncology ; Chemistry ; Cancer research ; Matrix-assisted laser desorption/ionization ; Chromatography ; Biochemistry Advanced Proteomics Techniques and Applications ; Peptidase Inhibition and Analysis ; Mass Spectrometry Techniques and Applications
Authors: T. Chavdarov | K. Gerginova | Mario Angelov | Christo Petkov
Source:  (article, 2024-12-11)
Field: Materials Science — Materials Chemistry

FACILITIES WITH THE PRESENCE OF HAZARDOUS SUBSTANCES AND RADIATION IN BULGARIA - CHARACTERISTICS, SECURITY MEASURES DURING THEIR OPERATION AND STORAGE Hazardous waste ; Environmental science ; Waste management ; Computer security ; Computer science ; Engineering Graphite, nuclear technology, radiation studies ; Healthcare, Law, Governance, and Management Studies ; Risk and Safety Analysis
Authors: Inkoo Kim | Daun Jeong | Leah P. Weisburn | Alexandra Alexiu | Troy Van Voorhis | Young Min Rhee | Won‐Joon Son | Hyung‐Jin Kim | Jinkyu Yim | Sungmin Kim | Yeonchoo Cho | Inkook Jang | Seungmin Lee | Dae Sin Kim
Source: arXiv (Cornell University) (preprint, 2024-07-23)
Field: Chemistry — Spectroscopy

Very-Large-Scale GPU-Accelerated Nuclear Gradient of Time-Dependent Density Functional Theory with Tamm-Dancoff Approximation and Range-Separated Hybrid Functionals Modern graphics processing units (GPUs) provide an unprecedented level of computing power. In this study, we present a high-performance, multi-GPU implementation of the analytical nuclear gradient for Kohn-Sham time-dependent density functional theory (TDDFT), employing the Tamm-Dancoff approximation (TDA) and Gaussian-type atomic orbitals as basis functions. We discuss GPU-efficient algorithms for the derivatives of electron repulsion integrals and exchange-correlation functionals within the range-separated scheme. As an illustrative example, we calculated the TDA-TDDFT gradient of the S1 state of a full-scale green fluorescent protein with explicit water solvent molecules, totaling 4353 atoms, at the wB97X/def2-SVP level of theory. Our algorithm demonstrates favorable parallel efficiencies on a high-speed distributed system equipped with 256 Nvidia A100 GPUs, achieving &gt;70% with up to 64 GPUs and 31% with 256 GPUs, effectively leveraging the capabilities of modern high-performance computing systems. Density functional theory ; Range (aeronautics) ; Scale (ratio) ; Hybrid functional ; Statistical physics ; Physics ; Materials science ; Quantum mechanics Advanced NMR Techniques and Applications ; Matrix Theory and Algorithms
Authors: U.B. Kadirov
Source:  (article, 2024-12-11)
Field: Materials Science — Materials Chemistry

ASPECTS OF RADIATION SAFETY IN THE PROCESS OF HANDLING SPENT FUEL AND RADIOACTIVE WASTE I welcome all participants of the scientific forum "Radiation Safety in the Modem World"The security situation in the world is surprisingly not stable in the 21st century and the humanity is exposed to unexpected challenges that affect each of us.Chemical and radioactive substances are wonderful helpers and a great result of human progress.Although they are supportive, on the other hand, they can be very dangerous, in the event of accidents or deliberate misuse.Therefore, it is very important to organize conferences of this type, where we, scientists, can participate in promoting world security and safety. Radioactive waste ; Waste management ; Process (computing) ; Spent nuclear fuel ; Environmental science ; High-level waste ; Nuclear engineering ; Computer science ; Engineering Graphite, nuclear technology, radiation studies ; Nuclear and radioactivity studies ; Risk and Safety Analysis
Authors: Thomas Rück | Jonas Pangerl | Lukas Escher | Simon Jobst | Max Müller | Rudolf Bierl | Frank‐Michael Matysik
Source: Photoacoustics (article, 2024-09-27)
Field: Chemistry — Spectroscopy

Kinetic cooling in mid-infrared methane photoacoustic spectroscopy: A quantitative analysis via digital twin verification This study presents a detailed quantitative analysis of kinetic cooling in methane photoacoustic spectroscopy, leveraging the capabilities of a digital twin model. Using a quantum cascade laser tuned to 1210.01 cm⁻¹, we investigated the effects of varying nitrogen-oxygen matrix compositions on the photoacoustic signals of 15 ppmV methane. Notably, the photoacoustic signal amplitude decreased with increasing oxygen concentration, even falling below the background signal at oxygen levels higher than approximately 6 %V. This phenomenon was attributed to kinetic cooling, where thermal energy is extracted from the surrounding gas molecules rather than added, as validated by complex vector analysis using a previously published digital twin model. The model accurately reproduced complex signal patterns through simulations, providing insights into the underlying molecular mechanisms by quantifying individual collision contributions. These findings underscore the importance of digital twins in understanding the fundamentals of photoacoustic signal generation at the molecular level. Infrared ; Photoacoustic imaging in biomedicine ; Methane ; Materials science ; Photoacoustic spectroscopy ; Infrared spectroscopy ; Spectroscopy ; Kinetic energy ; Optoelectronics ; Optics ; Analytical Chemistry (journal) ; Remote sensing ; Chemistry ; Physics ; Environmental chemistry ; Geology Spectroscopy and Laser Applications ; Advanced Chemical Sensor Technologies ; Atmospheric and Environmental Gas Dynamics
Authors: Frederick G. Strathmann | Susan Burden | Jenna Hua | Andrew Patterson | Robert A. Middleberg
Source: Clinical Chemistry (article, 2024-10-29)
Field: Chemistry — Organic Chemistry

Forever Chemicals, Endless Testing? Expert Advice to Be Prepared for Per- and Polyfluoroalkyl Substances Advice (programming) ; Organic chemicals ; Chemistry ; Toxicology ; Environmental chemistry ; Computer science ; Biology Chemistry and Stereochemistry Studies
Authors: Marı́a Luján Ferreira | Franco Dubois | María E. Tucceri | María Paula Badenes
Source: Royal Society Open Science (article, 2024-11-01)
Field: Chemistry — Organic Chemistry

Molecular, spectroscopic and thermochemical characterization of C <sub>2</sub> Cl <sub>3</sub> , C <sub>2</sub> F <sub>3</sub> and C <sub>2</sub> Br <sub>3</sub> radicals and related species This work reports a detailed theoretical study of the molecular parameters, harmonic vibrational frequencies, UV absorption spectra and standard enthalpies of formation for the radicals C<sub>2</sub>X<sub>3</sub> (with X = F, Cl and Br) and a comparison with the corresponding determinations for the rest of the members of the family C<sub>2</sub>X <sub><i>n</i></sub> (with <i>n</i> = 2-4). Molecular properties were calculated using different levels of theory: density functional theory employing the B3LYP, X3LYP, BMK, M06-2X and M08-HX functionals combined with the basis sets 6-311++G(3df,3pd) and aug-cc-pVTZ, and the <i>ab initio</i> composite models G3B3 and G4. Structural and spectroscopic characterization of the C<sub>2</sub>F<sub>3</sub>, C<sub>2</sub>Cl<sub>3</sub> and C<sub>2</sub>Br<sub>3</sub> radicals, along with the estimation of the enthalpies of formation of C<sub>2</sub>F<sub>3</sub> and C<sub>2</sub>Cl<sub>3</sub>, were derived here for the first time, to our knowledge. In particular, values of -220.9 ± 2.9, 230.8 ± 3.8 and 375.4 ± 5.9 kJ mol<sup>-1</sup> were computed for enthalpies of formation of C<sub>2</sub>F<sub>3</sub>, C<sub>2</sub>Cl<sub>3</sub> and C<sub>2</sub>Br<sub>3</sub>, respectively. Additionally, enthalpies of formation for related closed-shell molecules were obtained with less uncertainty compared to those found in the literature. The recommended values of -669.6 ± 3.8, -23.0 ± 4.6 and 155.3 ± 5.0 kJ mol<sup>-1</sup> were derived for C<sub>2</sub>F<sub>4</sub>, C<sub>2</sub>Cl<sub>4</sub> and C<sub>2</sub>Br<sub>4</sub>, while corresponding values of 0.6 ± 6.3, 228.1 ± 2.1 and 319.6 ± 5.4 kJ mol<sup>-1</sup> were estimated for C<sub>2</sub>F<sub>2</sub>, C<sub>2</sub>Cl<sub>2</sub> and C<sub>2</sub>Br<sub>2</sub>, respectively. Radical ; Standard enthalpy of formation ; Chemistry ; Standard enthalpy change of formation ; Density functional theory ; Ab initio ; Molecule ; Physical chemistry ; Basis set ; Crystallography ; Computational chemistry ; Organic chemistry Chemical Thermodynamics and Molecular Structure ; Atmospheric chemistry and aerosols ; Advanced Chemical Physics Studies