Results 201 to 210 of about 1,349,139 (282)

Density Functional Theory Insights into Polypyrrole-Based Functional Composites for Advanced Energy Storage, Sensing, and Environmental Applications. [PDF]

Nanomaterials (Basel)
Adedoja OS, Maladzhi RW, Olanrewaju OA, Adeosun SO, Gbadeyan OJ.   +4 more
europepmc   +1 more source

Experimental Evaluation of 100Cr6 Steel Microindented Surfaces Under Lubricated Nonconformal Point Contacts

Advanced Engineering Materials, EarlyView.
The tribological behavior of 100Cr6 steel spheres textured via Vickers microindentation is evaluated under lubricated sliding by varying both dimple size and density. Fine and dense textures significantly reduce friction across all lubrication regimes, while large dimples increase it.
Farideh Davoodi, Pasquale Guglielmi, Gianfranco Palumbo, Giuseppe Carbone   +3 more
wiley   +1 more source

Chemical and Region Equilibria with Heterogeneous Fluids Using Classical Density Functional Theory. [PDF]

J Phys Chem B
Pereira IPS, Segtovich ISV, Castier M, Pacheco HP, Tavares FW.   +4 more
europepmc   +1 more source

Density Functional Theory [PDF]

, 1983
openaire   +1 more source

Harnessing Fungal Biowelding for Constructing Mycelium‐Engineered Materials

Advanced Engineering Materials, EarlyView.
Mycelium‐bound composites (MBCs) offer low‐carbon alternatives for construction, yet interfacial bonding remains a critical challenge. This review examines fungal biowelding as a biocompatible adhesive, elucidating mycelium‐mediated interfacial mechanisms and their role in material assembly. Strategies to optimize biowelding are discussed, highlighting
Xue Brenda Bai, Xinrui Sarah Niu, Zhao Qin   +2 more
wiley   +1 more source

A Density Functional Theory and Semiempirical Framework for Trajectory Surface Hopping on Extended Systems. [PDF]

J Chem Theory Comput
Vogt JR, Schulz M, Souza Mattos R, Barbatti M, Persico M, Granucci G, Hutter J, Hehn A.   +7 more
europepmc   +1 more source

A Thermodynamic 3D Model for the Simulation of Diffusion‐Controlled Alloying Processes in Heterogeneous Material Structures

Advanced Engineering Materials, EarlyView.
A numerical model resulting from irreversible thermodynamics for describing transport processes is introduced, focusing on thermodynamic activity gradients as the actual driving force for diffusion. Implemented in CUDA C++ and using CalPhaD methods for determining the necessary activity data, the model accurately simulates interdiffusion in aluminum ...
Ulrich Holländer, Leonhard Holländer, André Langohr, Hans Jürgen Maier   +3 more
wiley   +1 more source

Density-Functional Theory for the Dicke Hamiltonian. [PDF]

J Stat Phys
Bakkestuen VH, Csirik MA, Laestadius A, Penz M.   +3 more
europepmc   +1 more source

A Numerical–Experimental Approach for Multi‐Matrix Fiber‐Reinforced Plastics Characterization Using Finite Element Model Updating

Advanced Engineering Materials, EarlyView.
A numerical–experimental framework is developed for characterizing multi‐matrix fiber‐reinforced polymers (MM‐FRPs) combining epoxy and polyurethane matrices. Harmonic bending tests are integrated with finite element model updating (FEMU) to simultaneously identify elastic and viscoelastic material parameters.
Rodrigo M. Dartora, Tales V. Lisbôa, Axel Spickenheuer, Rogério J. Marczak, Jakson M. Vassoler   +4 more
wiley   +1 more source