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Quantum symmetrization transition in superconducting sulfur hydride from quantum Monte Carlo and path integral molecular dynamics
We study the structural phase transition, originally associated with the highest superconducting critical temperature T c measured in high-pressure...
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A Path Planning Method for Polishing Thermal Barrier Coatings on the Surface of Aero-Engine Blades Based on Point Cloud Slicing
Thermal barrier coatings (TBCs) can significantly improve the turbine blades' high-temperature tolerance in turbine engines, the high surface...
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Uncertainty driven active learning of coarse grained free energy models
Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically...
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Quantitative Interpretation of Electron Spectroscopy Signals. Extracting the Differential Inverse Inelastic Mean Free Path and Differential Surface Excitation Probability in Solids
A method for extracting the differential inelastic scattering cross sections of electrons x in (Δ) from the energy spectra of electron spectroscopy is...
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Cyclic Mean Stress Variation Effect on Pipe Ratcheting
The deformation of a straight pipeline segment under stepwise cyclic loading by internal pressure is investigated. The tests were carried out on a...
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Parameter Estimation for Ultrasonics Echoes Using an Weighted Mean of Vectors Optimizer
AbstractAccurate estimations of the parameters of the ultrasonic echo pattern are essential in ultrasonic nondestructive testing. The estimation of...
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Mean Age Theory in Continuous Casting Tundish
Mean age theory is introduced to characterize the mixing performance of tundish based on the spatial distribution of tracer’s mean age. Conventional...
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Investigation on the Influence of Obstacle Size in Path Planning by a Hybrid Model Combining an Improved A-star Algorithm and Digital Twin
The development of simulation technology has made it possible to create digital copies that are identical to a real system from geometry to dynamics....
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Filament-free memristors for computing
Memristors have attracted increasing attention due to their tremendous potential to accelerate data-centric computing systems. The dynamic...
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Twinning Deformation and Yield Asymmetry Improvement of Magnesium Alloys by Free-End Torsion
In this investigation, extruded Mg-Ag alloy rods were subjected to free-end torsion at room temperature. The results reveal that the activation of...
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Atomistic Insights into the Irradiation Resistance of Co-Free High Entropy Alloy FeMnNiCr
We have investigated the displacement cascade irradiation resistance behavior of a cobalt-free high entropy alloy FeMnNiCr using molecular dynamics...
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The Fermi energy as common parameter to describe charge compensation mechanisms: A path to Fermi level engineering of oxide electroceramics
Chemical substitution, which can be iso- or heterovalent, is the primary strategy to tailor material properties. There are various ways how a...
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Free Electron Theory of Metal
P. Drude in 1900 proposedDrude-Lorentz model that physical properties of metals can be explained in terms of free electron model.
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The Generalized Additivity Rule for Thermal Path-Dependent Diffusion-Controlled Phase Transformation by Simultaneous Nucleation and Growth and Its Mathematical Solutions
Scheil’s additivity rule is widely applied to converting isothermal phase transformation kinetics to anisothermal ones. However, it often causes...
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Pre-strain and Mean Strain Effects on the Fatigue Behavior of Superelastic Nitinol Medical Devices
There is a growing body of evidence that “in situ” modification of the microstructure of Nitinol due to pre-strain and mean strain strongly influence...
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Accelerating the transition to cobalt-free batteries: a hybrid model for LiFePO4/graphite chemistry
The increased adoption of lithium-iron-phosphate batteries, in response to the need to reduce the battery manufacturing process’s dependence on...
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Regulating ion transport behaviors toward dendrite-free potassium metal batteries: recent advances and perspectives
With abundant potassium resources and high capacity, potassium metal batteries (PMBs) present a compelling option for the next generation of energy...
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Simulation of neutron and gamma radiation shielding properties of KNN-LMN lead-free relaxor ceramics
Radiation is now used extensively for a variety of industrial, agricultural, and radiation therapy objectives, as well as other uses, thanks to the...
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3D printing of void-free glass monoliths: rheological and geometric considerations
Direct ink writing (DIW) is a versatile additive manufacturing technique capable of printing 3D architectures from a broad range of materials. The...
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Molecular Dynamics Simulation of the Diffusion of a Copper Atom on Graphene
AbstractThe results of studying the effect of geometric and thermodynamic parameters of thermal evaporation and copper deposition on graphene lying...
