Results 141 to 150 of about 337,081 (267)

Differentiation of RNA-protein docking structures through molecular dynamics simulation and machine learning methods. [PDF]

Brief Bioinform
Thanh BT, Kurumida Y, Kobayashi K, Hamada M, Kameda T.   +4 more
europepmc   +1 more source

On the Effect of Creep on Local Lattice Orientation in Single‐Crystal Ni‐Based Superalloy Microstructures

Advanced Engineering Materials, EarlyView.
During creep of a single‐crystal Ni‐based superalloy, the overall crystal orientation is observed to remain constant while the microstructure evolves. Despite the lack of macroscopic rotation, small (<1°) rotations are observed on the submicron size scale and are accommodated by counteracting rotations over the scale of several micrometers.
E. J. Payton, E. B. Dursun, G. Eggeler, L. Agudo Jácome   +3 more
wiley   +1 more source

A Society of Simulation Approach to Dynamic Integration of Simulations [PDF]

Proceedings of the 2006 Winter Simulation Conference, 2006
openaire   +1 more source

Molecular Dynamics Simulation of Silicone Oil: Degradation upon Oscillatory Testing. [PDF]

Polymers (Basel)
Puhlmann P, Zahn D.
europepmc   +1 more source

Integration of OpenCV‐Based Microscopic Adhesive Volume Measurement Into a Pyiron Workflow for Automated Data Analysis

Advanced Engineering Materials, EarlyView.
Residual adhesive after electrode loading in adhesive‐assisted resistance spot welding is quantified through a traceable experimental‐to‐digital workflow. Chromatic confocal topography provides calibrated surface‐height data, while OpenCV detects the electrode imprint and integrates adhesive height into comparable volume metrics.
Sung‐Min Wi, Jiangdong Zhao
wiley   +1 more source

Demulsification of Fluids Produced from Polymer Flooding in Oilfields: A Molecular Dynamics Simulation Study. [PDF]

Materials (Basel)
Huang Q, Shen Z, Xie Y, Mu L, Long X, Meng J, Zhang X, Wang R.   +7 more
europepmc   +1 more source

Foundational Machine‐Learning Interatomic Potential for Simulating Chemically Complex Ni‐Based Superalloys

Advanced Engineering Materials, EarlyView.
We apply a foundational machine‐learning interatomic potential based on the graph atomic cluster expansion (GRACE) to simulate the commercial Ni‐based single‐crystal superalloy CMSX‐4. Hybrid Monte‐Carlo/molecular dynamics sampling resolves short‐range order in the γ phase and L12 sublattice occupancies in the γ’ phase and connects them to stacking ...
Aditya Vishwakarma, Sarath Menon, Fritz Körmann, Thomas Hammerschmidt, Ralf Drautz   +4 more
wiley   +1 more source

Pharmacokinetics, molecular docking, and molecular dynamics simulation unveil novel lichen-derived scaffolds targeting PBP2a MRSA. [PDF]

Front Bioinform
Priya A, Venkatesh N, Rao A, Singh H, Hooda S, Devrani L, Raina D, Selva G, Swami S.   +8 more
europepmc   +1 more source

Uniform Amorphization of Crystalline Silicon Surfaces Enabled by Deep Ultraviolet Femtosecond Laser Pulses

Advanced Engineering Materials, EarlyView.
Deep‐UV (258 nm) femtosecond pulses enable uniform amorphous silicon writing on Si(100)/(111) with a six‐fold larger fluence amorphization window than NIR methods. Optimized fluence and overlap yield 20–45 nm uniform and continuous amorphous layers. Microscopy shows sharp interfaces, and real‐time reflectivity reveals nanosecond melt–resolidification ...
Wissal Benali, Magali Gregoire, Matys Guyard, Tatiana Itina, David Grojo, Pol Sopeña   +5 more
wiley   +1 more source

ACE-Inhibitory Peptides from Yanbian Cattle Hemoglobin: Screening, Kinetics, and Molecular Dynamics Simulation. [PDF]

Foods
Yang S, Gao T, Qin B, Li C, Piao C, Cui M, Li H, Mu B, Wang J, Li T, Jiang Q, Lv A, Li G.   +12 more
europepmc   +1 more source