Results 101 to 110 of about 1,021,990 (293)

Is an Apple an Orange? A Large Language Model Benchmark for Candidate Term Extraction and Subclass Decisions Against Upper Ontologies in Engineering and Materials Science

Advanced Engineering Materials, EarlyView.
Building machine‐readable vocabularies for materials science is slow, expert‐driven work. This study benchmarks 13 large language models on two of its first steps: finding candidate terms in engineering articles and deciding where they belong in a class hierarchy.
Thomas Bjarsch, Maximilian Holland, Klaus Drechsler, Johannes Schilp   +3 more
wiley   +1 more source

Evaluation of the mechanical and release properties of lactose and microcrystalline cellulose and their binary mixtures as directly compressible excipients in paracetamol tablets.

Journal of Excipients and Food Chemicals, 2020
Binary mixtures of microcrystalline cellulose MCC (A), and lactose (L) in ratios at 75:25, 50:50, and 25:75% respectively were prepared. The binary mixtures were subjected to microscopical analysis and density measurements.
Olufunke D Akin-Ajani, Oluwatoyin A Odeku, Ololade Olumakinde-Oni   +2 more
doaj  

Symbolic Regression and Multi‐Objective Optimization of the Flory–Huggins Interaction Parameter for Hydrogels

Advanced Engineering Materials, EarlyView.
We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang, Adrian Ehrenhofer, Thomas Wallmersperger   +2 more
wiley   +1 more source

Computational Chemical Interactions Study and Characterization of Rutin-Malic Acid and Rutin-Nicotinamide Binary Mixture by Microwave Irradiation

Science and Technology Indonesia
Rutin is a saf flavonol glycoside with potent antioxidant activities. However, its low water solubility (122.6–126 μg/mL) limits rutin applications. Binary mixtures of rutin–malic acid (R-MA) and rutin–nicotinamide (R-NIC) are among the strategies used ...
Agnes Nuniek Winantari, Djayawati Poetri Dewantara, I Gede Ari Sumartha, Karina Citra Rani, Aditya Trias Pradana, Dini Kesuma   +5 more
doaj   +1 more source

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

Investigation of the powder flow behaviour of binary mixtures of microcrystalline celluloses and paracetamol [PDF]

The flow behaviour of binary mixtures of paracetamol and different grades of microcrystalline celluloses (Avicel® PH101, PH102 and PH200) was studied using a new testing method. The effect of physical characteristics of the powder including tribocharging
Jouko Yliruusi, Sari Airaksinen, Matti Murtomaa, Mikko Tenho, Ira Soppela, Heikki Räikkönen, Juha Hatara, Niklas Sandler   +7 more
core   +1 more source

Fast Sound Propagation in Binary Fluid Mixtures [PDF]

, 1989
In this thesis I am concerned with the dynamical properties, at the molecular level, of binary fluid mixtures in equilibrium; binary fluid mixtures are fluids consisting of two different components.
Campa, Alessandro
core   +1 more source

Equations of State with Group Contribution Binary Interaction Parameters for Calculation of Two-Phase Envelopes for Synthetic and Real Natural Gas Mixtures with Heavy Fractions

Oil & Gas Science and Technology, 2018
Three equations of state with a group contribution model for binary interaction parameters were employed to calculate the vapor-liquid equilibria of synthetic and real natural gas mixtures with heavy fractions. In order to estimate the binary interaction
Nasrifar Khashayar, Rahmanian Nejat
doaj   +1 more source

MODELAGEM DE MISTURAS BINÁRIAS PELA APLICAÇÃO DA EQUAÇÃO DE SCHRÖEDER-van LAAR A UM CONJUNTO DE SUBSTÂNCIAS COM DIVERSIDADE ESTRUTURAL [PDF]

Química Nova
The Schröeder-van Laar equation to predict the theoretical eutectic melting temperature values was applied to a set of fourteen binary mixtures (UR1 to UR14). The fourteen binary mixtures belong to a structurally diverse group of organic molecules.
Ursula Paôla Rudolph de Matos, Luana Dezingrini Lopes, Ana Paula Scheeren, Juliana Maria Forain Miolo Schneider, Adailton João Bortoluzzi, Helio Gauze Bonacorso, Itamar Luís Gonçalves, Aloir Antonio Merlo   +7 more
doaj   +1 more source