Results 171 to 180 of about 5,248,562 (283)

Integrating Machine Learning into Free Energy Perturbation Workflows. [PDF]

J Chem Inf Model
van Pinxteren DJM, Jespers W.
europepmc   +1 more source

Interactions between Molten High‐Silicon Electrical Steels and Carbon‐Bonded MgO Refractories Based on Recyclates

Advanced Engineering Materials, EarlyView.
This study examines how several molten high‐silicon electrical steels interact with both conventional and recycled MgO–C refractories. For this, various immersion experiments are conducted. In addition to infiltration, a number of mechanisms are identified and explained that control the corrosion of the refractory material.
Lukas Neubert, Matheus Roberto Bellé, Anton Yehorov, Anhelina Mospan, Till M. J. Stadtmüller, Seetharaman Sridhar, Christos G. Aneziris, Olena Volkova   +7 more
wiley   +1 more source

Sampling High-Dimensional Conformational Free Energy Landscapes of Active Pharmaceutical Ingredients. [PDF]

J Chem Theory Comput
Ferreira A, Guo R, Marziano I, Salvalaglio M.   +3 more
europepmc   +1 more source

Advancing Research on Biomaterials and Biological Materials with Scanning Electron Microscopy under Environmental and Low Vacuum Conditions

Advanced Engineering Materials, EarlyView.
Herein, environmental scanning electron microscopy (ESEM) is discussed as a powerful extension of conventional SEM for life sciences. By combining high‐resolution imaging with variable pressure and humidity, ESEM allows the analysis of untreated biological materials, supports in situ monitoring of hydration‐driven changes, and advances the functional ...
Jendrian Riedel, Lea Dierker, Antoine Eyram Kwame, Kim Nora Wagner, Jonas J. Unterholzner, Jan‐Henning Dirks, Dorothea Brüggemann   +6 more
wiley   +1 more source

Chloride Binding in Trimeric Coiled Coils: Free Energy and Structural Determinants from Molecular Simulations. [PDF]

J Chem Inf Model
Nifosì R, Bellucci L.
europepmc   +1 more source

Multimodal Mechanical Testing of Additively Manufactured Ti6Al4V Lattice Structures: Compression, Bending, and Fatigue

Advanced Engineering Materials, EarlyView.
In this experimental study, the mechanical properties of additively manufactured Ti‐6Al‐4V lattice structures of different geometries are characterized using compression, four point bending and fatigue testing. While TPMS designs show superior fatigue resistance, SplitP and Honeycomb lattice structures combine high stiffness and strength. The resulting
Klaus Burkart, Jonas Schmidt, Anastasiya Toenjes, Johanna Eisenträger   +3 more
wiley   +1 more source

PLNet: Persistent Laplacian neural network for protein-protein binding free energy prediction. [PDF]

Protein Sci
Xu X, Wang C, Wei GW, Chen J.
europepmc   +1 more source

Unidirectional Tape‐Based Composites from Hemp and Pineapple Leaf Fiber: Mechanical Performance in Conventional and Bio‐Based Matrices

Advanced Engineering Materials, EarlyView.
The study investigates novel semi‐finished products made of unidirectionally arranged hemp or pineapple leaf fiber‐reinforced composites produced from different matrices. The materials are analyzed in terms of their mechanical and interfacial properties and void content.
Nina Graupner, Raja Bade, Valentin Ackermann, Roja M. Baumann, Corvin Bischoff, Jona F. Ebeling, Oskar Glenz, Marlo Groh, Jonathan Groth, Finja Hiller, Tom Hirschmüller, Felix Menke, Syntcha Ngantchou Lecdou, Mika Ohler, Daniel Rafii Vardiny, Darius Richter, Dario Röper, Henrik Schumacher, Theresa Stein, Benjamin Vorbeck, Elisabeth Wermter, Kay Kölzig, Jörg Müssig   +22 more
wiley   +1 more source

Interaction between Molten Al‐Killed Mn–B Steel and Carbon‐Bonded MgO Refractories Based on Recyclates

Advanced Engineering Materials, EarlyView.
High‐temperature interactions between low‐sulfur Al‐killed Mn–B steel and MgO–C refractories (0 and 50 wt% recyclates) are studied via finger immersion tests (1600 °C). Surface‐active elements influence infiltration. MgO/CaS layer forms, along with spinel and calcium silicate.
Matheus Roberto Bellé, Lukas Neubert, Anton Yehorov, Till M. J. Stadtmüller, Christos G. Aneziris, Olena Volkova   +5 more
wiley   +1 more source

Effect of Storage Time After Surface Treatment of Zirconia on Surface Free Energy and Bond Strength of Composite Cement. [PDF]

J Adhes Dent
Sagen MA, Holm HV, Andersen F, Vult von Steyern P.   +3 more
europepmc   +1 more source