Electron scattering is always applied as one of the routines to investigate nanostructures. Nowadays the development of hardware offers more and more prospect for this technique. For example imaging nanostructures with inelastic scattered electrons may allow to produce component-sensitive images with atomic resolution. Modelling inelastic electron scattering is therefore essential for interpreting these images. The main obstacle to study inelastic scattering problem is its complexity. During inelastic scattering, incident electrons entangle with objects, and the description of this process involves a multidimensional array. Since the simulation usually involves fourdimensional Fourier transforms, the computation is highly inefficient. In this work we have offered one solution to handle the multidimensional problem. By transforming a high dimensional array into twodimensional array, we are able to perform matrix diagonalization and approximate the original multidimensional array with its twodimensional eigenvectors. Our procedure reduces the complicated multidimensional problem to a twodimensional problem. In addition, it minimizes the number of twodimensional problems. This method is very useful for studying multiple inelastic scattering.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1016/j.ultramic.2016.11.011 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Molecular Insights into α-Synuclein Fibrillation: A Raman Spectroscopy and Machine Learning Approach.
ACS Chem Neurosci
January 2025
School of Health & Life Sciences, Teesside University, Middlesbrough TS1 3BX, United Kingdom.
The aggregation of α-synuclein is crucial to the development of Lewy body diseases, including Parkinson's disease and dementia with Lewy bodies. The aggregation pathway of α-synuclein typically involves a defined sequence of nucleation, elongation, and secondary nucleation, exhibiting prion-like spreading. This study employed Raman spectroscopy and machine learning analysis, alongside complementary techniques, to characterize the biomolecular changes during the fibrillation of purified recombinant wild-type α-synuclein protein.
View Article and Find Full Text PDFAntimicrobial and Antibiofilm Activities of Urinary Catheter Incorporated with ZnO-Carbon Nanotube.
ACS Appl Bio Mater
January 2025
College of Pharmacy and Inje Institute of Pharmaceutical Sciences and Research, Inje University, Gimhae 50832, Republic of Korea.
Urinary tract infections are among the most common nosocomial infections, with the majority being catheter-associated urinary tract infections (CAUTIs). This study demonstrated that an antimicrobial and antibiofilm urinary catheter containing zinc oxide-carbon nanotubes (ZnO-CNT) can inhibit CAUTIs in patients. ZnO-CNT polymers were synthesized by mixing ZnO and CNT using a high-shear mixer, and the synthesized ZnO-CNT polymers were incorporated into a silicone matrix to produce a ZnO-CNT urinary catheter.
View Article and Find Full Text PDFResonances in Low-Energy Electron Collisions with Salicylic Acid.
J Phys Chem A
January 2025
Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba, Paraná, Brazil.
In this work, we report elastic integral, differential, and momentum-transfer cross sections for the scattering of low-energy electrons by salicylic acid. The cross sections were calculated with the Schwinger multichannel method implemented with norm-conserving pseudopotential within the static-exchange and static-exchange plus polarization (SEP) approximations for energies up to 15 eV. In the SEP approximation, four π* resonances were found at around 0.
View Article and Find Full Text PDFManufacturing of Liposomes Using a Stainless-Steel Microfluidic Device: An Investigation into Design of Experiments.
Langmuir
January 2025
Department of Polymer and Materials Chemistry, Faculty of Chemistry & Petroleum Sciences, Shahid Beheshti University, P.O. Box 1983969411 Tehran, Iran.
Liposomes are highly beneficial nanocarrier systems due to their biocompatibility, low toxicity, and exceptional inclusiveness, which lead to improved drug bioavailability. For biological applications, accurate control over these nanoparticles' mean size and size distribution is essential. Micromixers facilitate the continuous production of liposomes, enhancing the precision of size regulation and reproducibility.
View Article and Find Full Text PDFNonadiabatic Quantum Dynamics of Molecules Scattering from Metal Surfaces.
J Chem Theory Comput
January 2025
Institute of Physics, University of Freiburg, Hermann-Herder-Strasse 3, 79104 Freiburg, Germany.
Nonadiabatic coupling between electrons and molecular motion at metal surfaces leads to energy dissipation and dynamic steering effects during chemical surface dynamics. We present a theoretical approach to the scattering of molecules from metal surfaces that incorporates all nonadiabatic and quantum nuclear effects due to the coupling of the molecular degrees of freedom to the electrons in the metal. This is achieved with the hierarchical equations of motion (HEOM) approach, combined with a matrix product state representation in twin space.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!