cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Universal metrics for predicting the activity of a wide range of fuel-cell catalysts
Creators: name: Elumalai, Ganesan
name: Tominaka, Satoshi
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Biochemistry
Cell Biology
Biotechnology
Environmental Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Mathematical Sciences not elsewhere classified
Cancer
Science Policy

description: The increasing demand for universal metrics in material development, particularly in the context of material informatics (MI), emphasises the need for catalytic activity metrics in fuel-cell research, specifically for the oxygen reduction reaction (ORR). In this study, we comprehensively analyse 10 Pt/C catalysts using a constant-current density protocol and correlate the ORR activity with the constant kinetic current density, thereby demonstrating the effectiveness of this alternative metric. Our results reveal that the constant-current density protocol offers a reliable and consistent assessment of catalyst performance, providing a promising alternative to existing evaluation methods. By evaluating various protocols for extracting activity metrics from the datasets of fuel-cell catalysts, we establish an optimised protocol that accounts for experimental and analytical errors in obtaining universal activity metrics. Conventional methods relying on data obtained at a fixed potential are inadequate due to variable contributions of mass transport among the different materials. Instead, we propose a protocol using a constant kinetic current density obtained by the anodic scans of voltammetry (in the range of below 8 μA cm−2, normalized by absolute electrochemically active surface area, or 6 × 10−21 A per active site) to minimise influence of un-compensated resistance and non-ORR current, enabling robust analysis of catalyst activity trends. Depending on the purpose of the MI prediction, multiple metrics obtained at different conditions such as cathodic scans are preferable, and thus a range of metrics should be deposited in a database with their metadata. This unbiased comparison of catalysts emphasises the importance of revisiting assessment protocols. The resulting database of universal activity metrics is expected to be valuable for accelerating catalyst development through the application of materials informatics. The study evaluates different protocols based on physical chemistry and data science to establish a suitable method for comparing ORR catalysts and creating a reliable database of activity metrics.
title: Analysis of Problems Affecting the Effective Management of Municipal Recycling Programs in the United States
Creators: name: Turner, Keanah
Publisher: name: George Mason University
Year: 2021
Subjects: subject: Recycling program management
subject: Recycling
subject: Sustainability
subject: Local management
subject: Collection methods
subject: Recycling trends

description: From 1960 to 1985, the recycling rate in the United States increased approximately 5%. During the 10-year period between 1986 and 1995, it had rapidly grown to 25.7%. However, in the nearly 20 years following, the recycling rate started to stagnate at around 35% (EPA, 2019). The recycling rate is defined as the total amount of Municipal Solid Waste (MSW) recycled by the total amount of MSW generated in a year. Since recycling is becoming a cornerstone of waste management, the stagnated recycling rate raises a question of which problems are due to current management practices. This study responds to this research gap and aims to investigate factors that may influence the management of public or private recycling programs. To this end, individuals within a minimum of one year of experience in waste management industry were surveyed and asked to rank already-identified problems as well as emerging problems that affect managing recycling programs. Recycling program managers play versatile roles as consumers, mangers, and producers in the material flow of recyclable material. The findings indicate that market variability for recycled materials, contamination of recyclable materials, and public participation in recycling programs as key inhibiting factors in order. China’s recent policy on banning imports of foreign wastes was also pointed out as an emerging concern for managing recycling programs. This study contributes to the field of waste management by offering a much-needed in-depth understanding of problems associated with current recycling practices and management.
CO2 Adsorption on the (111) Surface of Fcc-structure High Entropy Alloys
Creators: name: Hinuma, Yoyo
name: Mori, Kohsuke
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Space Science
subject: Physical Sciences not elsewhere classified
subject: Medicine
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences

description: High entropy alloys (HEAs), obtained by alloying five or more elements, can exhibit unique characteristics. The CO2 adsorption capabilities of fcc structure HEAs consisting of five elements among Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd, Ag, Ir, Pt, and Au were evaluated by conducting first-principles calculations of the CO2 adsorption energy. HEAs could be categorized into “binding”, “less binding”, and “inconclusive” HEAs, where there were 27, 23, and 10 HEAs each, respectively, out of 60 randomly chosen HEAs. “binding” HEAs are defined as having low CO2 adsorption energy sites of less than -0.08 eV, which is difficult to attain with elementary substances or binary alloys. These low adsorption energy, or more active, sites are found near on-top positions of the HEA surface, whereas CO2 does not adsorb at such positions in “less binding” HEAs. Calculating CO2 adsorption energies could be a useful tool to check whether a specific HEA is “binding” or “less binding” prior to conducting extensive experiments.
Order–disorder competition in equiatomic 3d–transition–metal quaternary alloys: phase stability and electronic structure
Creators: name: Mizuseki, Hiroshi
name: Sahara, Ryoji
name: Hongo, Kenta
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Physical Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Mathematical Sciences not elsewhere classified
Hematology

description: We use high-throughput first-principles sampling to investigate competitive factors that determine the crystal structure of high-entropy alloys (HEAs) and the energetics dependence of the stable phase on the atomic configuration of ‘semi-ordered’ L12, D022, and random solid solution (RSS) phases of equiatomic quaternary alloys comprising four of the six constituent elements (Cr, Mn, Fe, Co, Ni, and Cu). Note that, generally, an FCC lattice consists of four L12/D022 sublattices. In this study, we call ‘semi-ordered’ phase a FCC lattice where one of the L12/D022 sublattices is fully occupied by a certain element, whereas the others are randomly occupied by the other elements like RSS. Considering the configurational entropy, we demonstrate that valence electron concentration (VEC) and temperature are crucial to determine the phase stability of HEAs at finite temperatures, wherein the ‘rather enthalpy-driven’ ordered phases are energetically more favorable than ‘rather entropy-driven’ RSS phases. Some D022 phases with high VEC are energetically more stable than L12 phases, though both phases are metastable. Furthermore, we explore magnetic configurations to identify the origin of the enthalpy term. The calculations reveal that ordered phases comprising antiferromagnetic atoms surrounded by ferromagnetic atoms are energetically stable. Relationships between magnetic ordering and atomic arrangements are also discussed.
НАТИЖАГА ЙЎНАЛТИРИЛГАН БЮДЖЕТЛАШТИРИШ ТИЗИМИНИ ЖОРИЙ ЭТИШ
Creators: name: Камалов, Шохрух
Publisher: name: Zenodo
Year: 2024

description: Натижага йўналтирилган бюджетлаштириш тизимини жорий этиш бўйича тўғрисида илмий хулосалар ва амалий таклифлар келтирилган.
Charge–discharge properties of LiMn2O4-group positive electrode active materials for lithium-ion batteries using high-throughput experimental screening and machine learning models
Creators: name: Tajima, Shin
name: Umehara, Mitsutaro
name: Takechi, Kensuke
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biochemistry
Space Science
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: To improve the charge – discharge properties of an LiMn2O4 positive electrode active material for a lithium-ion battery, the effect of additive elements was investigated using high-throughput experiments and materials informatics techniques. First, the material libraries of LiMn1.4NixAyBzO4±δ (A, B = Mo, Ir, Bi, Eu, Zn, Y, Ce, and Ru, x + y + z = 0.6, x, y, z = 0, 0.2, 0.4, 0.6) were synthesized by the ink-jet technique, and the properties were estimated using X-ray diffraction and X-ray absorption near-edge structure (XANES) spectroscopy at SPring-8. Appropriate additives were searched for by machine learning models using composition-based explanatory and experimentally obtained objective variables without completing the lithium-ion battery cell. Next, LiMn2O4 specimens containing the additives were synthesized by the solid-state reaction method, and then the charge – discharge properties were verified using the sandwich-type electrochemical cell. Based on the results, LiMn1.6Ni0.2Ir0.1Mo0.1O4±δ, LiMn1.6Ni0.2Pd0.1W0.1O4±δ, LiMn1.6Ni0.2Ir0.1W0.1O4±δ, LiMn1.6Ni0.3W0.1O4±δ, and LiMn1.6Ni0.2Ru0.1W0.1O4±δ had approximately 10% larger current capacity and approximately 0.1 V higher average charge – discharge potential than LiMn2O4 without additives. The charge compensation of lithiation and delithiation could be caused by the valence change of Mn (Mn4+ ⇌ Mn3+) and Ni ions (Ni3+ ⇌ Ni2+), which was estimated by XANES spectroscopy. The appropriate additives for LiMn2O4-based materials (cathode material for LIBs) were searched for using high-throughput experiments and machine learning without fabricating electrochemical cells, which were laborious experiments.
Evaluation of Information Entropy from Acoustic Emission Waveforms as a Fatigue Damage Metric for Al7075-T6
Creators: name: Sauerbrunn, Christine Marie
Publisher: name: Digital Repository at the University of Maryland
Year: 2016
Subjects: subject: Mechanical engineering
subject: FOS: Mechanical engineering
subject: Acoustic emission
subject: Aluminum
subject: Fatigue
subject: Information entropy

description: Information entropy measured from acoustic emission (AE) waveforms is shown to be an indicator of fatigue damage in a high-strength aluminum alloy. Several tension-tension fatigue experiments were performed with dogbone samples of aluminum alloy, Al7075-T6, a commonly used material in aerospace structures. Unlike previous studies in which fatigue damage is simply measured based on visible crack growth, this work investigated fatigue damage prior to crack initiation through the use of instantaneous elastic modulus degradation. Three methods of measuring the AE information entropy, regarded as a direct measure of microstructural disorder, are proposed and compared with traditional damage-related AE features. Results show that one of the three entropy measurement methods appears to better assess damage than the traditional AE features, while the other two entropies have unique trends that can differentiate between small and large cracks.
CLINICAL COURSE AND TREATMENT METHODS OF TROPHIC ULCERS OF THE ORAL MUCOSA IN POST-COVID PATIENTS
Creators: name: Saidova, M.A.
Publisher: name: Zenodo
Year: 2024

description: This article highlights the results of a study conducted in patients with trophic ulcers after COVID-19. It also describes the pathomorphological changes in patients with trophic ulcers of the oral mucosa who have experienced COVID-19, and the pathogistological composition of swabs taken from these ulcers. Clinical changes in patients with trophic ulcers of the oral mucosa after COVID-19 were also investigated in this study.
Tuning Bayesian optimization for materials synthesis: simulating two- and three-dimensional cases
Creators: name: Xu, Han
name: Nakayama, Ryo
name: Kimura, Takefumi
name: Shimizu, Ryota
name: Ando, Yasunobu
name: Kobayashi, Shigeru
name: Yasuo, Nobuaki
name: Sekijima, Masakazu
name: Hitosugi, Taro
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Medicine
Information Systems not elsewhere classified
Computational Biology

description: Compared to the optimization of a 1D synthesis parameter in materials synthesis, the optimization of multi-dimensional synthesis parameters is challenging for researchers. Bayesian optimization (BO) has shown high performance in optimizing high-dimensional synthesis parameters when appropriate hyperparameters are adopted. However, hyperparameter tuning for the kernel and acquisition functions used in BO is yet to be fully discussed by material researchers. In this study, we simulated materials synthesis under 2D and 3D synthesis conditions using artificial model functions with different process windows to investigate the effects of hyperparameters. The assumed parameters were temperature, oxygen partial pressure, and the sputtering power for thin-film deposition. Our findings indicate that estimating the process window and the range of physical property change based on the experience and knowledge of the materials researcher is crucial for tuning the hyperparameters of the kernel function. The simulations for high-dimensional search spaces case also indicate that the number of trials for optimization of synthesis conditions might reach several hundred or more. Therefore, the dimensionality and range of the search space must be limited based on the number of practical experiments, which is crucial for applying Bayesian optimization to materials synthesis. Our results facilitate fully automated and autonomous materials synthesis using BO and robotics for materials exploration in a high-dimensional search space.
title: Location-based Propagation Modeling for Opportunistic Spectrum Access in Wireless Networks
Creators: name: Erpek, Tugba
Publisher: name: George Mason University
Year: 2007
Subjects: subject: Path loss model
subject: Spectrum Sharing
subject: Multitaper

description: Wireless spectrum has become a scarce resource due to the exponential growth of the number and type of devices that utilize the electromagnetic spectrum. The cost of long term leasing of spectrum has proven to be a major road block in efficient use of frequency spectrum. Moreover, spectrum measurement studies have shown that substantial portions of the allocated wireless spectrum are highly underutilized. Thus, Dynamic Spectrum Access (DSA) devices have been proposed to be allowed to share the spectrum dynamically between users. The idea is that the DSA devices will continuously scan the spectrum and start to transmit in a channel when a licensed user’s operation is not detected in that channel. Detailed path loss models are needed to calculate the propagation loss between a DSA device transmitter and a licensed user receiver in order for the DSA device to avoid causing interference to the receiver by using overly high transmit power levels. This thesis proposes a novel propagation loss model called Location Based Propagation Modeling (LPM) based on the existing TIREM path loss model. The TIREM model gives the median value of the path loss for a given transmitter and receiver pair and the user needs to know the precise locations of the transmitter and receiver to calculate the path loss with the TIREM model. However, for DSA applications, we usually do not know the precise locations of the licensed user receivers. Furthermore, TIREM model requires detailed terrain information stored in the memory to calculate path loss, but DSA devices have limited memory. As a result, we need a compact representation of the TIREM model which gives the path loss without the need to store terrain information in the memory. These were the motivations to develop the LPM. DSA devices require accurate spectral estimation methods to determine whether a channel is occupied in a specific time and location. Two spectral estimation methods: multitaper spectral estimation method and conventional FFT-based spectral estimation method are compared in this thesis using real signal measurements. Our numerical results show that the multitaper approach yields a significant increase in the number of harvested channels, while maintaining a smaller probability of false alarm.
Prediction of Born effective charges using neural network to study ion migration under electric fields: applications to crystalline and amorphous Li3PO4
Creators: name: Shimizu, Koji
name: Otsuka, Ryuji
name: Hara, Masahiro
name: Minamitani, Emi
name: Watanabe, Satoshi
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Science Policy
subject: Plant Biology
subject: FOS: Biological sciences

description: Understanding ionic behaviour under external electric fields is crucial to develop electronic and energy-related devices using ion transport. In this study, we propose a neural network (NN) model to predict the Born effective charges of ions along an axis parallel to an applied electric field from atomic structures. The proposed NN model is applied to Li3PO4 as a prototype. The prediction error of the constructed NN model is 0.0376 e/atom. In combination with an NN interatomic potential, molecular dynamics (MD) simulations are performed under a uniform electric field of 0.1 V/Å, whereby an enhanced mean square displacement of Li along the electric field is obtained, which seems physically reasonable. In addition, the external forces along the direction perpendicular to the electric field, originating from the off-diagonal terms of the Born effective charges, are found to have a nonnegligible effect on Li migration. Finally, additional MD simulations are performed to examine the Li motion in an amorphous structure. The results reveal that Li migration occurs in various areas despite the absence of explicitly introduced defects, which may be attributed to the susceptibility of the Li ions in the local minima to the electric field. We expect that the proposed NN method can be applied to any ionic material, thereby leading to atomic-scale elucidation of ion behaviour under electric fields. This study introduces a new computational scheme for analysing ion behaviour in solids under electric fields, through the development of a neural network model to predict the Born effective charges.
Network Development with Bicycle Lanes
Creators: name: Zhao, Kai
Publisher: name: Digital Repository at the University of Maryland
Year: 2016
Subjects: subject: Transportation

description: Bicycling as an active mode of transport can offer great individual and societal benefits. Allocating space for bicycle facilities is the key to promoting cycling as bicyclists perceive better safety and convenience in separate bikeways. In this thesis, a method is proposed for optimizing the selection and scheduling of capacity enhancements in road networks while also optimizing the allocation of road space to bicycle lanes. The goal is to determine what fraction of the available space should be allocated to bicycles, as the network evolves, in order to minimize the present value of the total cost of the system cost. The allocation method is combined with a genetic algorithm to select and schedule road expansion projects under certain budget constraints.
Prompt engineering of GPT-4 for chemical research: what can/cannot be done?
Creators: name: Hatakeyama-Sato, Kan
name: Yamane, Naoki
name: Igarashi, Yasuhiko
name: Nabae, Yuta
name: Hayakawa, Teruaki
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biological Sciences not elsewhere classified
Science Policy

description: This paper evaluates the capabilities and limitations of the Generative Pre-trained Transformer 4 (GPT-4) in chemical research. Although GPT-4 exhibits remarkable proficiencies, it is evident that the quality of input data significantly affects its performance. We explore GPT-4’s potential in chemical tasks, such as foundational chemistry knowledge, cheminformatics, data analysis, problem prediction, and proposal abilities. While the language model partially outperformed traditional methods, such as black-box optimization, it fell short against specialized algorithms, highlighting the need for their combined use. The paper shares the prompts given to GPT-4 and its responses, providing a resource for prompt engineering within the community, and concludes with a discussion on the future of chemical research using large language models. This paper comprehensively reveals the advantages and limitations of GPT-4 in chemical research, such as expert knowledge, data analysis, prediction, suggestion, and autonomous experimentation. Watch the video on Vimeo © 2023 The Author(s). Published by National Institute for Materials Science in partnership with Taylor & Francis Group.
ҒЎЗА УРУҒЧИЛИГИГА ЯНГИ УСЛУБНИ ЖОРИЙ ЭТИШ
Creators: name: Мирзоёқубов, К.Э.
name: Амантурдиев, А.Б.
Publisher: name: Zenodo
Year: 2024

description: Таҳлил натижаларига кўра, “С-8290” ғўза навининг иккинчи йил уруғлик кўчатзори ўсимликликлардан териб олинган оилавий намуналарнинг ип йигирувчанлик коэффициенти бўйича модал қиймат 151 ни ўзгарувчанлик коэффициенти 5,6 фоиз эканлиги аниқланди. Бунда биринчи йилда ип йигирувчанлик коэффициенти бўйича танлаб олинган оилаларнинг якка танлов уруғлари хеч қандай лаборатория таҳлилларисиз кейинги йил ҳосили учун экишга тавсия берилди.
Riforme strutturali e vincoli internazionali (Structural Reforms and International Constraints)
Creators: name: Malaguti, Maria Chiara
Publisher: name: Moneta e Credito
Year: 2016
Subjects: subject: Structural Reforms, Sylos Labini, Economic Planning
subject: B31, K20, L40

description: L'autore traccia una linea divisoria tra il concetto di "riforme strutturali" in Sylos Labini e l'approccio attuale, focalizzandosi sulla diversa connotazione dei "vincoli" e su tre concetti chiave: solidarietà, relazione stato-mercato e potere.

Testo del discorso tenuto alla conferenza "Paolo Sylos Labini e la politica delle riforme", tenutasi all'Università La Sapienza di Roma il 4 dicembre 2015, organizzata dall'Accademia dei Lincei e da Economia civile.

The author draws a dividing line between the concept of ‘structural reforms’ in Sylos Labini and the current approach, focusing on the different connotation of “constraints” and of three key concepts: solidarity, the market-state relationship and power.

Text of the speech given at the conference "Paolo Sylos Labini e la politica delle riforme", held at Sapienza University of Rome on 04 December 2015, organized by the Accademia dei Lincei and Economia civile.

JEL code: B31, K20, L40
description: Moneta e Credito, V. 69, N. 274 (2016): giugno
Existence of periodic solutions for a scalar differential equation modelling optical conveyor belts
Creators: name: Carretero, Luis
name: Valero, José
Publisher: name: arXiv
Year: 2024
Subjects: subject: Classical Analysis and ODEs (math.CA)
subject: FOS: Mathematics
subject: 78A10, 34C25, 34B15

description: We study a one-dimensional ordinary differential equation modelling optical conveyor belts, showing in particular cases of physical interest that periodic solutions exist. Moreover, under rather general assumptions it is proved that the set of periodic solutions is bounded.
Visualizing local bending of lattice planes by extending two-azimuth synchrotron X-ray diffraction datasets to asymmetric reflection
Creators: name: Sakata, Osami
name: Yagyu, Shinjiro
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Physical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: Synchrotron X-ray rocking curve imaging (RCI) is modified to visualize local bending of lattice planes of a single crystal substrate (XR-V-LBLP). This method uses two-azimuth RCI datasets of asymmetric reflection or symmetric reflection. The analysis algorithm is described and a Python software code is provided in the Supplementary material. The two symmetrically equivalent 112ˉ4 datasets obtained from a GaN (0001) 4-inch wafer are reanalyzed using this software. The normal vector, reciprocal-lattice vector, of the local lattice planes, which is approximately parallel to the sample surface, is formulated as the product of two rotation matrices. This vector is written in polar coordinates using the length and two declination angles, newly introduced in this article. The spatial and probability distributions of the declination angles are also presented. The proposed method enables visualization of the local shape or orientation of the lattice planes of the entire wafer. The limits of application of the method are examined for the samples studied. The sample is found to satisfy two conditions regarding the relative d-spacing difference and the curvature of the lattice planes at all 50 adjacent μm positions.
Supplementary document for Investigation of refractive index dynamics during embryo development using digital holographic microscopy. - 6390310.pdf
Creators: name: Dwapanyin, George
name: Chow, Darren
name: Tan, Tiffany
name: Dubost, Nicolas
name: Morizet, Josephine
name: Dunning, Kylie
name: Dholakia, Kishan
Publisher: name: Optica Publishing Group
Year: 2025
Subjects: Uncategorized

description: supplementary material
Optimization of force-field potential parameters using conditional variational autoencoder
Creators: name: Matsunoshita, Koki
name: Yamaguchi, Yudai
name: Hamaie, Masato
name: Horibe, Motoki
name: Tanibata, Naoto
name: Takeda, Hayami
name: Nakayama, Masanobu
name: Karasuyama, Masayuki
name: Kobayashi, Ryo
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Space Science
subject: Medicine
subject: Biotechnology
subject: Biological Sciences not elsewhere classified
subject: Mathematical Sciences not elsewhere classified
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences

description: Owing to their high-speed, force-field (FF) calculations for inorganic solid-state materials using the parametric potential have been widely employed as an effective tool for high-throughput calculations such as exhaustive property evaluation of material databases and/or calculations for models containing tens of thousands of atoms or more, including amorphous and grain boundary models. However, the accuracy of such calculations strongly depends on the choice of the FF parameters. Today, compounds containing three or more elements are targeted in the research and development of functional materials, in which case the number of parameters often exceeds 10 dimensions. This significantly increases the search space, making it difficult to determine the parameters rationally. To resolve this issue, we previously reported an FF parameter determination approach based on meta-heuristics (APL Materials, 8, 081111 (2020)). In this study, we further investigated a methodology to efficiently determine the FF parameters using a conditional variational autoencoder (CVAE), a type of deep learning method, which can reduce the dimension of the input parameters and distribute them in a probabilistic manner in the latent space. As a demonstration, we applied the method to the optimization of 11 FF parameters for an argyrodite-type Li7PS6 material, which has attracted considerable attention as a solid electrolyte for all-solid-state batteries. The results confirmed that the proposed approach can generate valid FFs that are highly consistent with the results of first-principles calculations, even when using a limited set of meta-heuristics-generated FF parameters. Towards the development of functional materials, we applied our previously reported force-field (FF) parameter determination approach based on meta-heuristics to develop a methodology to efficiently determine the FF parameters using a conditional variational autoencoder (CVAE). As part of a demonstration, we selected argyrodite-type Li7PS6 material and applied the proposed method to its FF optimization. We believe that our study makes a significant contribution to the literature because it can serve as a basis for FF optimization of advanced materials.
Improving efficiency of autonomous material search via transfer learning from nontarget properties
Creators: name: Hwang, Jaekyun
name: Iwasaki, Yuma
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biochemistry
Space Science
Medicine
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified
Mathematical Sciences not elsewhere classified

description: Recently, autonomous material search methods combining machine learning and experiments/simulations have become indispensable for exploring the extremely vast material exploration space. However, conventional autonomous material search methods focus solely on target material properties and their descriptors, leaving room for improvement in search efficiency. More efficient autonomous material search can be realized by utilizing information on nontarget properties that are dormant in databases. Here, we propose a novel method for autonomous material search using transfer learning and an ensemble neural network. This method can perform an autonomous material search to optimize the target properties while transferring information on nontarget properties. To demonstrate the usefulness of this method, we applied it to search for ternary magnetic alloys with a high Curie temperature while transferring information on magnetic moment and spin polarization. Results indicate that the proposed method improves the efficiency of autonomous material search, particularly in the early stages of the search process.
High-throughput XPS spectrum modeling with autonomous background subtraction for 3d5/2 peak mapping of SnS
Creators: name: Matsumura, Tarojiro
name: Nagamura, Naoka
name: Akaho, Shotaro
name: Nagata, Kenji
name: Ando, Yasunobu
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biochemistry
Neuroscience
Biotechnology
Chemical Sciences not elsewhere classified
Astronomical and Space Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified
Mathematical Sciences not elsewhere classified
Cancer
Virology

description: We propose a fitting model that automatically conducts the background subtraction during high-throughput peak fitting. The fitting model consists of the pseudo-Voigt mixture model and the ramp-sum background model, and each model represents the peak and background component, respectively. The optimization of the fitting model is performed by the spectrum adapted ECM algorithm that enables us to perform the peak fitting and background subtraction simultaneously through the high-throughput calculation. Application of the proposed model to the synthetic spectral data showed appropriate decomposition of the peak and background component. We also applied the proposed model to 3721 spectral data collected from the SnS sheet by X-ray photoelectron spectroscopy. The spectral data from the SnS sheet were successfully decomposed to the component of Sn 3d3/2 peak, Sn 3d5/2 peak and background, respectively. As the spectrum adapted ECM algorithm can efficiently analyze a large amount of spectral data, we can obtain the color map showing spatial distribution of Sn(II) and Sn(IV) using the parameter of Sn 3d5/2 peak. The proposed model supports us to obtain the insightful spatial distribution of peak component that has been difficult to obtain by conventional peak fitting.
INVESTIGATION BY MASS SPECTROMETRY OF THE UBIQUITOME AND PROTEIN CARGO OF EXOSOMES DERIVED FROM MYELOID-DERIVED SUPPRESSOR CELLS
Creators: name: Adams, Katherine R.
Publisher: name: Digital Repository at the University of Maryland
Year: 2016
Subjects: subject: Analytical chemistry
subject: Biochemistry
subject: Exosomes
subject: LC-MS/MS
subject: MDSC
subject: proteasome
subject: proteome
subject: ubiquitome

description: Exosomes released by myeloid-derived suppressor cells (MDSC) are 30 nm in diameter extracellular vesicles that have been shown to carry biologically active proteins as well as ubiquitin molecules.  Ubiquitin is known to have many functions, including involvement in the formation of exosomes, although the exact role is highly contested.  In the study reported here, the proteome and ubiquitome of MDSC exosomes has been investigated by bottom-up proteomics techniques.  This report identifies more than 1000 proteins contained in the MDSC exosome cargo and 489 sites of ubiquitination in more than 300 ubiquitinated proteins based on recognition of glycinylglycine tagged peptides without antibody enrichment.  This has allowed extensive chemical and biological characterization of the ubiquitinated cohort compared to that of the entire protein cargo to support hypotheses on the role of ubiquitin in exosomes.
Visualizing local bending of lattice planes by extending two-azimuth synchrotron X-ray diffraction datasets to asymmetric reflection
Creators: name: Sakata, Osami
name: Yagyu, Shinjiro
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Physical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: Synchrotron X-ray rocking curve imaging (RCI) is modified to visualize local bending of lattice planes of a single crystal substrate (XR-V-LBLP). This method uses two-azimuth RCI datasets of asymmetric reflection or symmetric reflection. The analysis algorithm is described and a Python software code is provided in the Supplementary material. The two symmetrically equivalent 112¯4 datasets obtained from a GaN (0001) 4-inch wafer are reanalyzed using this software. The normal vector, reciprocal-lattice vector, of the local lattice planes, which is approximately parallel to the sample surface, is formulated as the product of two rotation matrices. This vector is written in polar coordinates using the length and two declination angles, newly introduced in this article. The spatial and probability distributions of the declination angles are also presented. The proposed method enables visualization of the local shape or orientation of the lattice planes of the entire wafer. The limits of application of the method are examined for the samples studied. The sample is found to satisfy two conditions regarding the relative d-spacing difference and the curvature of the lattice planes at all 50 adjacent μm positions.
Optimization of Force-field Potential parameters using conditional variational autoencoder
Creators: name: Matsunoshita, Koki
name: Yamaguchi, Yudai
name: Hamaie, Masato
name: Horibe, Motoki
name: Tanibata, Naoto
name: Takeda, Hayami
name: Nakayama, Masanobu
name: Karasuyama, Masayuki
name: Kobayashi, Ryo
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Space Science
subject: Medicine
subject: Biotechnology
subject: Biological Sciences not elsewhere classified
subject: Mathematical Sciences not elsewhere classified
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences

description: Owing to their high-speed, force-field (FF) calculations for inorganic solid-state materials using the parametric potential have been widely employed as an effective tool for high-throughput calculations such as exhaustive property evaluation of material databases and/or calculations for models containing tens of thousands of atoms or more, including amorphous and grain boundary models. However, the accuracy of such calculations strongly depends on the choice of the FF parameters. Today, compounds containing three or more elements are targeted in the research and development of functional materials, in which case the number of parameters often exceeds 10 dimensions. This significantly increases the search space, making it difficult to determine the parameters rationally. To resolve this issue, we previously reported an FF parameter determination approach based on meta-heuristics (APL Materials, 8, 081111 (2020)). In this study, we further investigated a methodology to efficiently determine the FF parameters using a conditional variational autoencoder (CVAE), a type of deep learning method, which can reduce the dimension of the input parameters and distribute them in a probabilistic manner in the latent space. As a demonstration, we applied the method to the optimization of 11 FF parameters for an argyrodite-type Li7PS6 material, which has attracted considerable attention as a solid electrolyte for all-solid-state batteries. The results confirmed that the proposed approach can generate valid FFs that are highly consistent with the results of first-principles calculations, even when using a limited set of meta-heuristics-generated FF parameters. Towardsthe development of functional materials, we applied our previously reportedforce-field (FF) parameter determination approach based on meta-heuristics todevelop a methodology to efficiently determine the FF parameters using aconditional variational autoencoder (CVAE). As part of a demonstration, weselected argyrodite-type Li7PS6 material and applied the proposed method to itsFF optimization. We believe that our study makes a significant contribution tothe literature because it can serve as a basis for FF optimization of advancedmaterials. Further, we believe that this paper will be of interest to yourreadership as your journal is a platform for discussions on studies related tothe MD simulations of newly emerging advanced materials.
title: WEIGHING PHONETIC PATTERNS IN NON-NATIVE ENGLISH SPEECH
Creators: name: (:Unkn) Unknown
Publisher: name: George Mason University
Year: 2019

description: Non-native (L2) speakers of English often speak English with a certain degree of foreign ac- cent. While much research has investigated the accentedness of L2 English speech, very few studies have attempted to rank phonetic patterns in L2 speech according to their perceived foreign accented- ness. This dissertation provides accentedness rankings of a large variety of phonetic patterns in L2 English speech. By investigating why some phonetic patterns in L2 English speech are perceptually more accented than others, this dissertation reveals the possible underlying mechanisms that govern foreign accent perception. This dissertation focuses specifically on the segmental and syllable structural aspects of L2 speech. Two perception experiments were conducted to elicit native (L1) American English raters’ accentedness judgments on 100 L2 stimuli extracted from the Speech Accent Archive (Weinberger, 2019). In both experiments, raters heard L2 English speech samples and rated foreign accented- ness for each speech sample. Accentedness rankings of various phonetic patterns in L2 speech were therefore obtained. Linear mixed-effects models were implemented to investigate the effect of dif- ferent types of phonetic patterns on accentedness perception. Prosodic information of the stimuli was accounted for in the least intrusive manner by employing a Dynamic Time Warping approach. Results of the two experiments show that (1) the consonant and syllable structural aspects of L2 speech carry more weight in accentedness perception than vowels; (2) phonological context affects accentedness perception; (3) raters are aware of which phonetic patterns are allowed in L1 speech, showing that L1 phonetic and phonological knowledge (L1 knowledge) might affect accentedness perception. A third experiment was further conducted to investigate how raters’ L1 knowledge affected their accentedness judgment. A Naïve Discriminative Learning Model (NDL) was employed to approx- imate raters’ L1 knowledge by examining the co-occurrences of pronunciations (e.g., [æsk]) and lexical outcomes (e.g., “ask”) in L1 speech of American English. 100 L2 stimuli were subsequently evaluated against listeners’ L1 knowledge to estimate the degree of dissimilarity (NDL-distance) between L1 and L2 speech samples. The results show that NDL-distance correlates significantly with accentedness ratings, suggesting that L1 knowledge, as approximated by the NDL model, could have affected accentedness judgments. This dissertation contributes to the field of foreign accent by providing accentedness rankings of various phonetic patterns in L2 speech. In lieu of ad hoc explanations for why some phonetic patterns are more accented than others, this dissertation directly examines how raters’ L1 knowledge affected their accentedness judgments of L2 speech, providing insights into the nature of foreign accent perception.
title: Land Use / Land Cover and Change Detection for the Iraqi Province of Sulaimaniyah in Using Remote Sensing
Creators: name: Faraj, Ardalan
Publisher: name: George Mason University
Year: 2014
Subjects: subject: Geospatial
subject: CART
subject: Landuse/Landcover
subject: CCA
subject: Change detection
subject: Sulaimaniya

description: Over the last several years the Iraqi Province of Sulaimania has gone through significant changes. The purpose of this study is to highlight and understand major changes in land-use and land-cover change (LULCC) relates to the growing population and increased economic activity in the Province of Sulaimania, in northern Iraq between 1998 and 2010. Land use and land cover change (LULCC) can be driven by both natural and anthropogenic drivers, and these LULCC changes can impact the availability of products and services for the human population in the area, and can have deleterious effect on the region’s fauna and flora, as well as the environmental and ecological systems. Despite its rapid growth and increasing importance, LULCC studies in this tend to be limited and outdated. To address this issue, this work utilized a time-series of Landsat 5 Thematic Mapper (TM) and Landsat7 Enhanced Thematic Mapper Plus (ETM+) satellite imagery data, covering the time frame between 1998, and 2010. Change xviii detection in land-use/land-cover was carried out using a workflow consisting of establishing the LULC classification scheme, image data acquisition, scene processing, data analysis, post-processing, and validation. In particular, classification and Regression Tree (CART) have been utilized to perform image classification based on the 1998 image, and Cross-Correlation Analysis (CCA) was used to identify changes between image pairs. Validation was carried out using a random stratified process by classes, and by comparing the results against Rapid Eye image date from 2011.
title: Using Consultants for Materials Development
Creators: name: Bergau, Nancy
name: Soedharno, R.F.
Publisher: name: University of Massachusetts Amherst
Year: 1983
Subjects: subject: Education

description: The Indonesia Nonformal Education Project is part of a large-scale development effort of PENMAS, the Community Education directorate of the Ministry of Education in Indonesia. The project was financed jointly by the Government of Indonesia and by a loan from the World Bank.
description: Summary: This note describes a process for incorporating the work of consultants into the materials development process. It outlines how to determine the need for a consultant, how to choose the right consultant, and how to hire and effectively utilize a consultant. It also describes the right consultant, and how to hire and effectively utilize a consultant. It also describes a step-by-step process for using a consultant to develop an entire learning material.
Assessing the Oxidative History of Miller Range Martian Meteorites
Creators: name: Dottin III, James Wosley
Publisher: name: Digital Repository at the University of Maryland
Year: 2016
Subjects: subject: Geology
subject: FOS: Earth and related environmental sciences
subject: Chemistry
subject: Geochemistry
subject: Mars
subject: Nakhlites
subject: Oxygen fugacity
subject: Sulfur

description: Miller Range (MIL) Martian meteorites are oxidized nakhlites. Early studies attribute their oxidation to reduction-oxidation reactions involving assimilated sulfate. I utilize the sulfur isotope and major element composition of the MIL pairs to assess their oxidative history.

MIL sulfides display an average sulfur isotope composition that is different from Nakhla sulfate and sulfide. The sulfur isotope differences produce a mixing array between juvenile sulfur and mass-independent sulfur signatures, indicating assimilation of anomalous sulfur into the melt. I estimate an fO2 of QFM (+3.5 ± 0.4) and a sulfur content of 360 ppm ± 12 – 1300 ppm ± 50. With these results, I test the hypothesis of sulfate assimilation through models of charge balance, isotope mixing, and degassing of sulfur bearing compounds. I conclude that sulfate assimilation was significant in the oxidation of the MIL pairs but, additional oxidants were assimilated.
title: Enabling a Control System Approach to Side-Channel and Fault Attacks
Creators: name: Carter, Matthew
Publisher: name: George Mason University
Year: 2019
Subjects: subject: Side-Channel Analysis
subject: Fault Attacks
subject: Control System
subject: FOBOS

description: As the number of embedded devices continues to grow, attacks that require physical access to the device become more plausible. Two sub-classifications of these attacks, Side-Channel Attacks (SCA) and Fault attacks, necessitate the attacker to be familiar with the target implementation. Side-Channel Attacks exploit information leaked by the target device to discover secret cryptographic keys. Fault attacks act upon the system to induce error in device operation that may result in information leakage or improper execution. The error produced by the attack is dependent on the method used to inject the fault. This paper discusses some of the advances in SCAs and Fault Attacks and proposes a control system approach to these classes of attacks. The result of the research is a System on a Chip (SOC) for measuring power consumption, analyzing results, and refining measurement as a feedback loop.
Sylos Labini, la programmazione economica e la riforma urbanistica (1962-1967) (Sylos Labini, Economic Planning and Urban Reform, 1962-1967)
Creators: name: Amorosino, Sandro
Publisher: name: Moneta e Credito
Year: 2016
Subjects: subject: Sylos Labini, Economic Planning, Urban Reform
subject: O21, B31, O18

description: L'articolo descrive i tentativi di pianificazione economica in Italia nel 1962-1964, che hanno cercato di trovare un equilibrio tra sviluppo economico e controllo dei processi di crescita urbana. Testo del discorso tenuto alla conferenza "Paolo Sylos Labini e la politica delle riforme", tenutasi all'Università La Sapienza di Roma il 4 dicembre 2015, organizzata dall'Accademia dei Lincei e da Economia civile.

The article describes the attempts at economic planning in Italy in 1962-1964, which tried to strike a balance between economic development and control of the urban growth processes. Text of the speech given at the conference "Paolo Sylos Labini e la politica delle riforme", held at Sapienza University of Rome on 04 December 2015, organized by the Accademia dei Lincei and Economia civile.

JEL code: O21, B31, O18
description: Moneta e Credito, V. 69, N. 274 (2016): giugno