Related papers: Quantitative three-dimensional local order analysi…
Materials property predictions have improved from advances in machine learning algorithms, delivering materials discoveries and novel insights through data-driven models of structure-property relationships. Nearly all available models rely…
The liquid, plastic crystalline and ordered crystalline phases of CBr$_4$ were studied using neutron powder diffraction. The measured total scattering differential cross-sections were modelled by Reverse Monte Carlo simulation techniques…
Crystal orientation and strain mapping of an individual curved and asymmetrical core-shell hetero-nanowire is performed based on transmission electron microscopy. It relies on a comprehensive analysis of scanning nanobeam electron…
Identifying the regions responsible for plastic flow in amorphous solids remains an open problem, since structural disorder seems to prevent the direct application of concepts such as dislocations, topological defects that successfully…
Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…
Disorder in crystals is rarely random, and instead involves local correlations whose presence and nature are hidden from conventional crystallographic probes. This hidden order can sometimes be controlled, but its importance for physical…
3D Compton scattering imaging is an upcoming concept exploiting the scattering of photons induced by the electronic structure of the object under study. The so-called Compton scattering rules the collision of particles with electrons and…
Understanding and manipulating the relationship between intentionally introduced disorder and material properties necessitates efficient characterization techniques. For example, single crystal diffuse scattering experiments provide…
The classification of structural phase transitions as displacive or order-disorder in character is usually based on spectroscopic data above the transition. We use single crystal x-ray diffraction to investigate structural correlations in…
High-performing thermoelectric materials such as Zn$_4$Sb$_3$ and clathrates have atomic disorder as the root to their favorable properties. This makes it extremely difficult to understand and model their properties at a quantitative level,…
Local positional disorder in soft, anharmonic materials has emerged as a central factor in shaping their electronic, vibrational, optical, and transport properties. Viewed mainly as a source of performance degradation, recent theoretical…
Three-dimensional electron diffraction (3D ED) has emerged as a powerful method for solving the structures of sub-micron-sized particles down to nanoparticles. However, it faces technical challenges when applied to beam-sensitive samples or…
Coherent diffraction imaging enables the imaging of individual defects, such as dislocations or stacking faults, in materials.These defects and their surrounding elastic strain fields have a critical influence on the macroscopic properties…
In a recent publication [D. P. Varn, G. S. Canright, and J. P. Crutchfield, Phys. Rev. B {\bf 66}:17, 156 (2002)] we introduced a new technique for discovering and describing planar disorder in close-packed structures (CPSs) directly from…
Local magnetic order and anisotropy are often central for understanding fundamental behavior and emergent functional properties in quantum materials and beyond. Advances in neutron powder diffraction experiments and analysis tools now allow…
An algebraic approach to neutron scattering on a one dimensional potentials is generalized to diffraction on three dimensional single crystals.
This manuscript presents a working model linking chemical disorder and transport properties in correlated-electron perovskites with high-entropy formulations and a framework to actively design them. We demonstrate this new learning in…
Materials where the electron filling is close to commensurate filling provide one of the great challenges in materials science. Several proposals of unconventional orderings, where the electronic liquid self-organizes into components with…
Diffuse intensities in the electron diffraction patterns of concentrated face-centered cubic solid solutions have been widely attributed to chemical short-range order, although this connection has been recently questioned. This article…
Crystallography, the primary method for determining the three-dimensional (3D) atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography…