Results 191 to 200 of about 1,266,126 (293)

On machine learning based QSPR analysis of amphetamine derivatives using regression models. [PDF]

Sci Rep
Hanif MF, Hashem AF, Hussain M, Fiidow OA.   +3 more
europepmc   +1 more source

Combined Process‐ and Phase‐Field‐Simulation to Predict the Microstructure of Single‐Crystal Ni‐Based Superalloys

Advanced Engineering Materials, EarlyView.
A combined finite element and phase‐field approach predicts the evolution of microstructure during the directional solidification of Ni‐based superalloys. The model reveals how withdrawal rate, temperature gradient, and wall thickness control the dendrite spacing, highlighting the strong effect of surface regions in thin sections where dendrite growth ...
Sean Böhm, André B. Baldissera, Rainer Völkl, Uwe Glatzel   +3 more
wiley   +1 more source

Eccentric sombor index of graphs and its role in the structure-property relationship analysis of polycyclic aromatic compounds. [PDF]

Sci Rep
Khaji B, Hanif S, Arathi Bhat K.
europepmc   +1 more source

Thermophysical Properties of the Desulphurization Slags With Various CaS and CaO/Al2O3 Ratio

Advanced Engineering Materials, EarlyView.
This article investigates how CaS content and the CaO/Al2O3 ratio influence the thermophysical properties of desulphurization slags. Using experimental measurements and thermodynamic simulations, this study reveals complex effects on viscosity, surface tension, and density, providing new insight into slag structure and phase behavior under ...
Eldar Salpagarov, Matheus Roberto Bellé, Anton Yehorov, Julia Richter, Olena Volkova   +4 more
wiley   +1 more source

Enhancing bioinformatics engineering by utilizing graph therapeutic properties for clinically approved antitoxin drugs in zoonotic diseases. [PDF]

Sci Rep
Imran M, Aqib M, Malik MA, Jutt S.
europepmc   +1 more source

Novel Tailoring of Ternary ZnS‐MXene‐TiO2 Nanocomposite Heterojunction and Its Tunable Electrochemical Properties With Enhanced Photocatalytic Degradation

Advanced Engineering Materials, EarlyView.
ZnS‐MXene‐TiO2 nanocomposite heterojunction for photocatalytic decomposition of this methylene blue dye (MB) greatly improves light absorption, charge separation, and active site area. Two‐dimensional MXene forms nanocomposites by easily combining them with 0D (quantum dots), 1D (tube and wire), 2D (plane and sheet), and 3D (particle and lamellar ...
Latiful Kabir, Dohyun Kim, Minho Song, Jae Doc Na, Young Jun Joo, Kwang Youn Cho, Karna Wijaya, Won‐Chun Oh   +7 more
wiley   +1 more source

Pairwise Neural Networks for Ranking Molecular Structures Based on Properties. [PDF]

ACS Omega
Frazzato Viana R, Da Silva JLF, Dias LG, Prati RC.   +3 more
europepmc   +1 more source

Removing Oxide Layers and Retaining Oxide‐Free Steel Surfaces by Polishing in Oxygen‐Free Atmosphere

Advanced Engineering Materials, EarlyView.
In this study, the efficacy of wet mechanical polishing under an oxygen‐free atmosphere for deoxidation and the retention of an oxide‐free steel surface are elucidated using X‐ray photoelectron spectroscopy. The methodology proved successful; however, the results were highly dependent on the preparation of the solvents used to clean the samples after ...
Friedrich Bürger, Lienhard Wegewitz, Wolfgang Maus‐Friedrichs   +2 more
wiley   +1 more source

On topological co-index polynomials for predictive modeling of the physicochemical properties of antiviral drugs. [PDF]

Sci Rep
Meharban S, Ullah A, Zaman S, Abd-Elmonem A, Ali P, Alhubieshi N, Belay MB.   +6 more
europepmc   +1 more source

Powder Optimization Strategies for Binder Jetting Printing of BaTiO3 and Ba0,6Sr0,4TiO3 Ceramics

Advanced Engineering Materials, EarlyView.
Powder optimization is investigated to enable binder jetting of BaTiO3 and Ba0.6Sr0.4TiO3 ferroelectric ceramics. The antagonistic relationship between flowability and binder compatibility is addressed through binder impregnation of granulated powders and fumed silica addition to fine powders.
Fanny Pruvost, Lionel Presmanes, Soléna Colin, Marie Vidal, Sophie Guillemet‐Fritsch   +4 more
wiley   +1 more source