Results 51 to 60 of about 4,408 (211)

Orientation‐Engineered PtTe2 Schottky FETs: Quantum Transport Insights for Dopant‐Free Advanced Technology Nodes

Advanced Electronic Materials, EarlyView.
Monolayer PtTe2 enables dopant‐free Schottky FETs through its thickness‐dependent electronic transition. Quantum transport simulations show that crystallographic orientation strongly influences device performance, with Γ–M transport delivering higher drive current, lower leakage, and improved switching behavior.
Lida Ansari, Paul K. Hurley, Farzan Gity
wiley   +1 more source

Quantum nature of Wigner function for inflationary tensor perturbations

Journal of High Energy Physics, 2020
We study the Wigner function for the inflationary tensor perturbation defined in the real phase space. We compute explicitly the Wigner function including the contributions from the cubic self-interaction Hamiltonian of tensor perturbations.
Jinn-Ouk Gong, Min-Seok Seo
doaj   +1 more source

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

Advanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu, Claire Schlesinger, Karan Mudaliar, Jordan Leung, Robin Walters, Peter Schindler   +5 more
wiley   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Geometry‐Based Neural‐Network Prediction of Electron Localization Function Topology in Dense Hydrogen

Chemistry – A European Journal, EarlyView.
We present a machine‐learning framework that predicts the electron localization function (ELF) of dense hydrogen directly from atomic geometry, bypassing explicit electronic‐structure calculations. Trained on ab initio data for fluid hydrogen across multiple pressures, the model achieves high accuracy and reveals pressure‐dependent nonlocal ...
Xiaoyu Wang, Miriam Marqués, Sergio Gómez, Francesc Serratosa, Eva Zurek, Julia Contreras‐García   +5 more
wiley   +1 more source

The Mechanism of Visible‐Light Photochemical Rearrangements of Conjugated Amide Enolates

Chemistry – A European Journal, EarlyView.
Visible light irradiation of extended enolates of N‐benzylamides leads to homolytic C─N Bond cleavage, generating a biradical. Computational and mechanistic studies suggest rapid radical recombination within a solvent cage to give either ring‐expanded or rearranged products. ABSTRACT Deprotonation of conjugated amides forms colored solutions of lithium
James Mortimer, William Terry‐Wright, Basile F. E. Curchod, Jonathan Clayden   +3 more
wiley   +1 more source

Six-dimensional light-front Wigner distributions of the proton

European Physical Journal C: Particles and Fields
We investigate six-dimensional quark Wigner distributions of the proton in a light-front quark spectator-diquark model. Benefiting from the light-front boost-invariant longitudinal variable $$\tilde{z}$$ z ~ , these light-front Wigner distributions ...
Yirui Yang, Tianbo Liu, Bo-Qiang Ma
doaj   +1 more source

Phase-space description of the coherent state dynamics in a small one-dimensional system

Open Physics, 2016
The Wigner-Moyal approach is applied to investigate the dynamics of the Gaussian wave packet moving in a double-well potential in the ‘Mexican hat’ form.
Kaczor Urszula, Klimas Bogusław, Szydłowski Dominik, Wołoszyn Maciej, Spisak Bartłomiej J.   +4 more
doaj   +1 more source

Study on Time-frequency Imaging of Ultrasonic Detection with Phase Shifted Fiber Bragg Grating Sensing

Measurement Science Review, 2023
The influence of the wavelength difference between the laser source and the phase-shifted fiber Bragg grating (PS-FBG) on the intensity of the power demodulation system based on an adjustable laser source was studied experimentally, and the optimum of ...
Meng Lijun, Tan Xin, Yu Quanquan
doaj   +1 more source

Structural Properties of Yukawa One‐Component Plasmas Revisited

Contributions to Plasma Physics, EarlyView.
ABSTRACTYukawa one‐component plasmas are fully described in terms of the Coulomb coupling parameter Γ$$ \Gamma $$ and the screening parameter κ$$ \kappa $$. One of their remarkable properties is the existence of lines of constant effective coupling, Γeff(Γ,κ)$$ {\Gamma}_{\mathrm{eff}}\left(\Gamma, \kappa \right) $$, along which their short‐range ...
Daniels Krimans, Hanno Kählert
wiley   +1 more source