Results 91 to 100 of about 132,157 (272)

Electrostatic-field and surface-shape similarity for virtual screening and pose prediction. [PDF]

, 2019
We introduce a new method for rapid computation of 3D molecular similarity that combines electrostatic field comparison with comparison of molecular surface-shape and directional hydrogen-bonding preferences (called "eSim").
Cleves, Ann E, Jain, Ajay N, Johnson, Stephen R   +2 more
core  

What Do Large Language Models Know About Materials?

Advanced Engineering Materials, EarlyView.
If large language models (LLMs) are to be used inside the material discovery and engineering process, they must be benchmarked for the accurateness of intrinsic material knowledge. The current work introduces 1) a reasoning process through the processing–structure–property–performance chain and 2) a tool for benchmarking knowledge of LLMs concerning ...
Adrian Ehrenhofer, Thomas Wallmersperger, Gianaurelio Cuniberti   +2 more
wiley   +1 more source

Additive Gaussian Process Regression for Predictive Design of High‐Performance, Printable Silicones

Advanced Engineering Materials, EarlyView.
A chemistry‐aware design framework for tuning printable polydimethylsiloxane (PDMS) for vat photopolymerization (VPP) is developed using additive Gaussian process (GP) modeling. Polymer network mechanics informs variable groupings, feasible formulation constraints, and interaction variables.
Roxana Carbonell, Martha Leach, Hongtao Song, Carolyn Seepersad   +3 more
wiley   +1 more source

12th CIRP Conference on Computer Aided Tolerancing [PDF]

, 2014
The purpose of this paper is to decipher the process of modelling driving to the product behaviour simulation. A simple example of simulation, tolerance stackup, allows illustrating this process.
BALLU, Alex, CHARPENTIER, Frédéric, PAILHES, Jérôme   +2 more
core   +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

Al–Cu Composite Casting of Laser‐Deoxidized Copper: Bonding, Interfacial Chemistry, and Thermal Conductivity

Advanced Engineering Materials, EarlyView.
This study investigates laser‐based oxide removal of Cu inserts in oxygen‐free conditions and examines long‐term oxidation kinetics and surface chemistry under different atmospheres via X‐ray photoelectron spectroscopy. Al–Cu compound casting with differently oxidized surfaces is performed, and intermetallic phase formation, morphology, and thermal ...
Timon Steinhoff, Finn‐Lennard Janthur, Sascha Zimmermann, Sarah Seffer, Jörg Hermsdorf, René Gustus, Ludger Overmeyer, Wolfgang Maus‐Friedrichs, Hans Jürgen Maier, Christian Klose   +9 more
wiley   +1 more source

Evaluating Energy Absorption Performance of Filled Lattice Structures

Advanced Engineering Materials, EarlyView.
Maximum stress must be considered to robustly evaluate energy absorber designs. This approach was applied to compare all types of absorbers in a single Ashby diagram and determine the utility of filling lattice voids with a second material. High‐performance fillers can improve the performance of lattices that are limited by buckling or catastrophic ...
Christian Bonney, William P. King, Iwona Jasiuk   +2 more
wiley   +1 more source

A Knowledge‐Based Approach for Understanding and Managing Additive Manufacturing Data

Advanced Engineering Materials, EarlyView.
Additive manufacturing processes generate a large amount of data. Effectively managing, understanding, and retrieving information from this data remains a major challenge. Therefore, we propose an ontology‐based approach to integrate heterogeneous data, enable semantic queries, and support decision‐making.
Mina Abd Nikooie Pour, Prithwish Tarafder, Anton Wiberg, Huanyu Li, Johan Moverare, Patrick Lambrix   +5 more
wiley   +1 more source

Multifunctional Crushing and Piezoresistive Self‐Sensing in Conductive Epoxy/CNT‐Coated Polyetherimide TPMS Lattices

Advanced Engineering Materials, EarlyView.
This study reports lightweight polyetherimide triply periodic minimal surfaces lattices coated with carbon nanotube‐reinforced epoxy that combine mechanical robustness with self‐sensing. The conformal coating enhances stiffness, strength and energy absorption while enabling reliable strain monitoring.
A. Triay, J. Schneider, P. Harrison, S. Kumar   +3 more
wiley   +1 more source

Additive Manufacturing of Continuous Fibre Reinforced Composites: Process, Characterisation, Modelling, and Sustainability

Advanced Engineering Materials, EarlyView.
Additive manufacturing provides precise control over the placement of continuous fibres within polymer matrices, enabling customised mechanical performance in composite components. This article explores processing strategies, mechanical testing, and modelling approaches for additive manufactured continuous fibre‐reinforced composites.
Cherian Thomas, Amir Hosein Sakhaei
wiley   +1 more source