A fitting scheme for analysis of collective dynamics in liquid binary alloys is proposed. It is based on explicit treatment of contributions from three relaxing modes and two types of propagating modes to the partial density-density time correlation functions and corresponding partial dynamic structure factors. Exact sum rules for each partial dynamic structure factor were taken into account. The proposed fitting scheme was applied to the liquid equimolar K-Cs alloy. Analysis of simulation-derived partial time correlation functions as well as of their corresponding Bhatia-Thornton 'number-concentration' combinations allowed dispersion and damping of the two branches of collective excitations and the behaviour of relaxing modes in a wide range of wave numbers to be obtained. A comparison with the inelastic neutron-scattering intensities for the liquid K-Cs alloy was performed.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1088/0953-8984/28/18/185102 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Geometrically modulated contact forces enable hula hoop levitation.
Proc Natl Acad Sci U S A
January 2025
Applied Mathematics Laboratory, Courant Institute of Mathematical Sciences, Department of Mathematics, New York University, New York, NY 10012.
Mechanical systems with moving points of contact-including rolling, sliding, and impacts-are common in engineering applications and everyday experiences. The challenges in analyzing such systems are compounded when an object dynamically explores the complex surface shape of a moving structure, as arises in familiar but poorly understood contexts such as hula hooping. We study this activity as a unique form of mechanical levitation against gravity and identify the conditions required for the stable suspension of an object rolling around a gyrating body.
View Article and Find Full Text PDFHow and why funders support engaged research.
Proc Natl Acad Sci U S A
January 2025
Ewing Marion Kauffman Foundation, Kansas City, MO 64110.
Research that better aligns policy, practice, and research communities is gaining momentum around the world. This includes engaged research strategies that bring partners, and their diverse perspectives and kinds of knowledge, together to shape research agendas with on-the-ground-needs and to create dynamic problem-solving processes. These approaches aim to generate more equitable and effective solutions to societal challenges.
View Article and Find Full Text PDFBreaking a barrier: In trans vlsE recombination and genetic manipulation of the native vlsE gene of the Lyme disease pathogen.
PLoS Pathog
January 2025
Department of Veterinary Microbiology and Pathology, Washington State University, Pullman, Washington, United States of America.
Host-pathogen interactions represent a dynamic evolutionary process, wherein both hosts and pathogens continuously develop complex mechanisms to outmaneuver each other. Borrelia burgdorferi, the Lyme disease pathogen, has evolved an intricate antigenic variation mechanism to evade the host immune response, enabling its dissemination, persistence, and pathogenicity. Despite the discovery of this mechanism over two decades ago, the precise processes, genetic elements, and proteins involved in this system remain largely unknown.
View Article and Find Full Text PDFInternal validation of a convolutional neural network pipeline for assessing meibomian gland structure from meibography.
Optom Vis Sci
January 2025
Johnson & Johnson MedTech (Vision), Irvine, California.
Significance: Optimal meibography utilization and interpretation are hindered due to poor lid presentation, blurry images, or image artifacts and the challenges of applying clinical grading scales. These results, using the largest image dataset analyzed to date, demonstrate development of algorithms that provide standardized, real-time inference that addresses all of these limitations.
Purpose: This study aimed to develop and validate an algorithmic pipeline to automate and standardize meibomian gland absence assessment and interpretation.
Predicting the polyspecificity of aminoacyl-tRNA synthetase for non-canonical amino acids using molecular dynamics simulation and MM/PBSA.
PLoS One
January 2025
Department of Biotechnology and Bioengineering, Chonnam National University, Gwangju, Republic of Korea.
With the advancement of genetic code expansion, the field is progressing towards incorporating multiple non-canonical amino acids (ncAAs). The specificity of aminoacyl-tRNA synthetases (aaRSs) towards ncAAs is a critical factor, as engineered aaRSs frequently show polyspecificity, complicating the precise incorporation of multiple ncAAs. To address this challenge, predicting binding affinity can be beneficial.
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!