A combined approach to study cold rarefied matter is introduced that includes a semianalytical method based on the free-energy minimization and ab initio calculations based on the finite-temperature density-functional theory. The approach is used to calculate the ionization state of hydrocarbon (CH) under the shock-release conditions in inertial confinement fusion. The dielectric constant of CH is calculated using the Kubo-Greenwood formulation and contribution from atomic polarizabilities is found to be as important as the free-electron contribution. Using the ionization state and dielectric constant, the electron density profile in the rarefaction wave of the shock-release plasma is obtained.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1103/PhysRevE.104.045207 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Characterization of phenolic compounds and evaluation of anti-diabetic potential in L. seeds: and studies.
Open Life Sci
December 2024
Bioactive and Environmental Health Laboratory, Faculty of Sciences, Moulay Ismail University, Meknes, B.P. 11201, Morocco.
Moroccan L. seeds were investigated for their phenolic profile and antidiabetic potential. Ultra-high-performance liquid chromatography with diode array detection and electrospray ionization mass spectrometry analysis revealed a rich phenolic composition, including benzoic acid, cannabisin B, genistein, and epicatechin.
View Article and Find Full Text PDFInfinite Organic Solid-Solution Semiconductors with Continuous Evolution in Film Morphology, Crystalline Lattice and Electrical Properties.
Small
January 2025
Key Laboratory of Automobile Materials of Ministry of Education and School of Materials Science and Engineering, Jilin University, Changchun, 130012, P. R. China.
Constructing a solid solution is an effective strategy for regulating the properties of composite organic semiconductors. However, there presents significant challenges in fabrication and understanding of organic solid-solution semiconductors. In this study, infinite solid-solution semiconductors are successfully achieved by integrating rod-like organic molecules, thereby overcoming the limitations of current organic composite semiconductors.
View Article and Find Full Text PDFIdentification of Southeast Asian Anopheles mosquito species with matrix-assisted laser desorption/ionization time-of-flight mass spectrometry using a cross-correlation approach.
Parasit Vectors
January 2025
Shoklo Malaria Research Unit, Mahidol-Oxford Tropical Medicine Research Unit, Faculty of Tropical Medicine, Mahidol University, Mae Ramat, Thailand.
Background: Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) is proposed for mosquito species identification. The absence of public repositories sharing mass spectra and open-source data analysis pipelines for fingerprint matching to mosquito species limits the widespread use of this technology. The objective of this study was to develop a free open-source data analysis pipeline for Anopheles species identification with MALDI-TOF MS.
View Article and Find Full Text PDFSimulating Ionized States in Realistic Chemical Environments with Algebraic Diagrammatic Construction Theory and Polarizable Embedding.
J Phys Chem A
January 2025
Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States.
Theoretical simulations of electron detachment processes are vital for understanding chemical redox reactions, semiconductor and electrochemical properties, and high-energy radiation damage. However, accurate calculations of ionized electronic states are very challenging due to their open-shell nature, importance of electron correlation effects, and strong interactions with chemical environment. In this work, we present an efficient approach based on algebraic diagrammatic construction theory with polarizable embedding that allows to accurately simulate ionized electronic states in condensed-phase or biochemical environments (PE-IP-ADC).
View Article and Find Full Text PDFp-Type BiVO for Solar O Reduction to HO.
J Am Chem Soc
January 2025
Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.
Photoelectrochemical cells (PECs) can directly utilize solar energy to drive chemical reactions to produce fuels and chemicals. Oxide-based photoelectrodes in general exhibit enhanced stability against photocorrosion, which is a critical advantage for building a sustainable PEC. However, most oxide-based semiconductors are n-type, and p-type oxides that can be used as photocathodes are limited.
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!