Results 101 to 110 of about 23,462 (281)
Thermal Stability and Structural Evolution of Li-Mg Alloys Through Atomistic Simulations
CrystalsMolecular dynamics simulations were conducted to investigate the thermal stability and structural evolution of Li-Mg alloys subjected to thermal cycling between 100 K and 400 K. Alloy compositions containing 0, 5, 10, and 20 at.% Mg were analyzed using a
Nicolás Amigo
doaj +1 more source
Advanced Engineering Materials, EarlyView.Sol–gel‐derived ZnO–rGO hybrid nanoparticles enable Al7075 powder‐metallurgy composites to achieve concurrent gains in hardness and thermal conductivity while markedly lowering friction and wear. The hybrid architecture couples ZnO‐based load support with rGO‐assisted lamellar sliding and heat spreading, revealing a promising route toward lightweight ...
Bunyamin Aksakal +3 more
wiley +1 more source
Transferring predictions of formation energy across lattices of increasing size
Machine Learning: Science and TechnologyIn this study, we show the transferability of graph convolutional neural network (GCNN) predictions of the formation energy of the nickel-platinum solid solution alloy across atomic structures of increasing sizes.
Massimiliano Lupo Pasini +2 more
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Advanced Engineering Materials, EarlyView.Experiments and thermophysical simulations were conducted to investigate the electron beam powder bed fusion electron beam (PBF‐EB/M) process for the γ′‐strengthened nickel‐based superalloy Inconel 738LC. The results demonstrate the impact of process‐induced microstructural variations on high‐temperature mechanical behavior, providing a basis for ...
Jan Niklas Petenati +11 more
wiley +1 more source
Molecular dynamics simulation of the diffusion behaviour in Ti–Ag using diffusion couple method
Results in PhysicsThe diffusion behaviour of the Ti–Ag system was investigated using classical molecular dynamics by simulating a diffusion couple at various temperatures.
Šimon Svoboda +4 more
doaj +1 more source
, 2018 Atomistic simulations such as molecular dynamics and Monte Carlo are widely used for understanding the material behavior at a more fundamental level e g at the atomic level However there still exist limitations in the variety of material systems specimen
Kim, HK, Kim, EH, Ko, WS, Lee, BJ
core +1 more source
Advanced Functional Materials, EarlyView.Multiscale experiments and modeling reveal how Ti3C2Tx MXene nanosheets reinforce PVDF nanocomposites. An optimal MXene loading (∼1 wt.%) nearly doubles tensile strength through efficient stress transfer, flake alignment, and crack‐deflection mechanisms, transforming ductile polymer behavior into a controlled multi‐stage fracture pathway which aligns ...
Bita Soltan Mohammadlou +5 more
wiley +1 more source
Advanced Functional Materials, EarlyView.An intrinsic photoactive star‐shaped zinc phtalocyanine‐poly(L‐glutamic acid) (ZnPc‐PGA) nanoplatform for multimodal glioblastoma (GBM) therapy and brain‐targeted elivery. A ZnPc‐PGA‐based multifunctional theranostic nanocarrier platform enables image‐guided, multimodal GBM therapy. ZnPc‐PGA nanocarriers support the integration of fluorescence imaging,
Amina Benaicha‐Fernández +14 more
wiley +1 more source
Advanced Functional Materials, EarlyView.A bikitaite‐infused cellulose separator is introduced for Li metal batteries, leveraging bikitaite zeolite's ion‐conductive properties to regulate Li+‐ion flux and suppress dendrite growth. The membrane design ensures uniform Li plating, enhanced electrolyte wettability, and robust thermal/mechanical stability, delivering stable performance and low ...
Isheunesu Phiri +2 more
wiley +1 more source