Related papers: Compound-specific isotope analysis
Planetary systems such as our own are formed after a long process where matter condenses from diffuse clouds to stars, planets, asteroids, comets and residual dust, undergoing dramatic changes in physical and chemical state in less than a…
We employed a machine-learning assisted approach to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. Our investigation yielded around 50 systems with transition…
The goal of inverse self-assembly is to design inter-particle interactions capable of assembling the units into a desired target structure. The effective assembly of complex structures often requires the use of multiple components, each new…
The present-day bulk elemental composition of an exoplanet can provide insight into a planet's formation and evolutionary history. Such information is now being measured for dozens of planets with state-of-the-art facilities using Bayesian…
Understanding the origin of the composition of solar system cosmomaterials is a central question, not only in the cosmochemistry and astrochemistry fields, and requires various approaches to be combined. Measurements of isotopic ratios in…
The last decade has seen intense research in materials with reduced dimensionality. The low dimensionality leads to interesting electronic behavior due to electronic confinement and reduced screening. The investigations have to a large…
A unification of characteristic mode decomposition for all method-of-moment formulations of field integral equations describing free-space scattering is derived. The work is based on an algebraic link between impedance and transition…
C-fractionation has been studied from a theoretical point of view with different models of time-dependent chemistry, including both isotope-selective photodissociation and low-temperature isotopic exchange reactions. Recent chemical models…
For more than 150 years the structure of the periodic system of the chemical elements has intensively motivated research in different areas of chemistry and physics. However, there is still no unified picture of what a periodic system is.…
Context. The crust composition of rocky exoplanets with a substantial atmosphere can not be observed directly. However, recent developments start to allow the observation and characterisation of their atmospheres. Aims. We aim to establish…
Solar and extrasolar planets are the subject of numerous studies aiming to determine their chemical composition and internal structure. In the case of extrasolar planets, the composition is important as it partly governs their potential…
Structures of chemical compounds can be synthesized and categorized through mathematical means. Organic compounds are suitable targets because of their simple valences. Acyclic organic compounds made of hydrogen and second-row elements C,…
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and some properties of water-methanol liquid mixture. The TIP4P/2005 and SPC/E water models are combined with the united atom TraPPE and the…
We derive properties and a characterization of discrete composition matrices which are useful in the field of numerical computation of shape correspondences.
Materials properties depend strongly on chemical composition, i.e., the relative amounts of each chemical element. Changes in composition lead to entirely different chemical arrangements, which vary in complexity from perfectly ordered…
A thorough in situ characterization of materials at extreme conditions is challenging, and computational tools such as crystal structural search methods in combination with ab initio calculations are widely used to guide experiments by…
Materials characterization and property measurements are a cornerstone of material science, providing feedback from synthesis to applications. Traditionally, a single sample is used to derive information on a single point in composition…
The solar chemical composition is an important ingredient in our understanding of the formation, structure and evolution of both the Sun and our solar system. Furthermore, it is an essential reference standard against which the elemental…
Isotope thermometry, widely used to measure the temperature of a hot nuclear system formed in energetic nuclear collisions, is examined in the light of S-matrix approach to the nuclear equation of state of disassembled nuclear matter.…
Models which allow an explicit application to structurally modulated substances are reviewed within the frame of a symmetry-based approach starting from discrete lattice theory. Focus is set on models formulated in terms of local variables…