Results 71 to 80 of about 27,988 (262)

Laser‐Induced Ultrafast Magnetic Phase Transition in 2D Van Der Waals Antiferromagnetic Heterostructures

Advanced Science, EarlyView.
In this work, ultrafast laser‐induced spin transfer and spin relaxation dynamics in 2D van der Waals antiferromagnetic CrI3/CrGeTe3 heterostructures are investigated. Laser excitation is demonstrated to induce pronounced interlayer nonequilibrium spin dynamics and ultrafast magnetic moment reconstruction, driving a transition from an antiferromagnetic (
Yang Wu, Fulu Zheng, San‐Dong Guo, Thomas Frauenheim, Zhaobo Zhou, Junjie He   +5 more
wiley   +1 more source

Thermodynamics of Concomitant Charge‐Transfer, Antiferromagnetic, and Isostructural Phase Transitions in Barocaloric ACu3Fe4O12 Quadruple Perovskites

Advanced Science, EarlyView.
A copper‐iron charge transfer instability drives concomitant electronic, magnetic, and isostructural phase transitions in ACu3Fe4O12${\rm ACu}_3{\rm Fe}_4{\rm O}_{12}$, with an inverse barocaloric effect. A minimal Landau theory ties these thermodynamic signatures together, revealing a pressure‐independent transition entropy with comparable charge and ...
Jefferson Delgado‐Quesada, Gian Giacomo Guzmán‐Verri   +1 more
wiley   +1 more source

The Effects of the Activation Energy on the Intrinsic Instability of Adiabatic and Non-Adiabatic Premixed Flames

Journal of Fluid Science and Technology, 2008
The effects of the activation energy on the intrinsic instability of adiabatic and non-adiabatic premixed flames were studied by two-dimensional unsteady calculations of reactive flows based on the compressible Navier-Stokes equation.
Amornrat KAEWPRADAP, Satoshi KADOWAKI
doaj   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Flexoelectricity in Photoconversion: Fundamentals, Materials, and Outlooks

Advanced Science, EarlyView.
Mechanical bending of a flexible cantilever induces a strain gradient in the photoactive material. The resulting flexoelectric field couples with photovoltaic and photoconductive effects, modulating charge generation, separation, and collection. A comparative analysis of oxide perovskites, halide perovskites, and two‐dimensional materials is presented,
Xiang Huang, Feng Li, Rongkun Zheng
wiley   +1 more source

Machine Learning Accelerated Non‐Adiabatic Molecular Dynamics Elucidates Local Polarization Effects on Non‐radiative Recombination in Halide Perovskites

Advanced Science, EarlyView.
This work proposes and constructs the Hefei‐NAMD‐S framework based on machine learning stacked models to investigate the relationship between local polarization and non‐radiative recombination. The results indicate that, compared with A‐site local polarization, B‐site local polarization shows a more evident association with the non‐radiative ...
Bing Yang, Xiaoli Wei, Bo Cai, Yan Yang, Xinghai Zhu, Yi Liu, Junmin Xia, Lihui Liu, Kun Cao, Wei Shen, Pengfei Xia, Shufen Chen, Siyu Chen, Jin Zhao   +13 more
wiley   +1 more source

Multiscale Modelling of the Electrocatalysis of Microenzymes: Insights Into the Performance of Microperoxidase at an Aqueous/Graphene Interface and Their Exploitation to Improve Performance

Advanced Science, EarlyView.
A novel multiscale MD/DFT framework to elucidate microenzyme adsorption and electron transfer is reported. This method reveals distinct configurations for microperoxidase‐11 on graphene and those best suited for electron transfer. Rate constants align with the limited experimental data, establishing this framework as a tool for optimizing microenzyme ...
Milan Mijajlovic, Cheng Hu, Yuhui Sun, Matthew J. Penna, Meisam V. Kiamahalleh, Wenrong Yang, Mark J. Biggs   +6 more
wiley   +1 more source

Virtual mitigation of coherent non-adiabatic transitions by echo verification [PDF]

Quantum
Transitions out of the ground space limit the performance of quantum adiabatic algorithms, while hardware imperfections impose stringent limitations on the circuit depth.
Benjamin F. Schiffer, Dyon van Vreumingen, Jordi Tura, Stefano Polla   +3 more
doaj   +1 more source

Efficient Adsorption‐Based Direct Air Capture Via Triply Periodic Minimal Surface Architectures

Advanced Science, EarlyView.
Architected triply periodic minimal surface (TPMS) contactors reshape direct air capture by replacing straight‐channel diffusion limits with convection‐enhanced CO2 transport. Chaotic advection thins boundary layers and exposes fast adsorption sites, enabling 70%–75% more fast sites, 114% higher productivity, and 51.8% lower energy consumption than ...
Qingyang Shao, Zhuozhen Gan, Chengcheng Long, Man Zhang, Yihe Miao, Yuehui Li, Xuancan Zhu   +6 more
wiley   +1 more source

Investigation of temperature gradient effects and effective thermal inertia during adiabatic decomposition of substances with varying exothermic characteristics

Case Studies in Thermal Engineering
To further study adiabatic parameters distortion, the adiabatic decomposition of 2,4-DNT, 20%DTBP, and 45%Glucose was systematically analyzed using thermal analysis calorimetry and numerical simulation methods.
Jun Zhang, Yijin Wen, Xuehui Wang, Jiawei Fang, Xiaoliang Zhang   +4 more
doaj   +1 more source