Publications related to Structure factor

Seismic Testing of Adjacent Interacting Masonry Structures – Analysis of a Blind Prediction

Masonry aggregates, which emerged as layouts of cities and villages became denser, make up historical centres all over the world. In these aggregates, neighbouring structures may share structural walls that are joined at the interfaces by mortar or interlo ...

Springer2024

Scalable Room-Temperature Synthesis of a Hydrogen-Sieving Zeolitic Membrane on a Polymeric Support

Kumar Varoon Agrawal, Jian Hao, Xuekui Duan, Mostapha Dakhchoune

Thescalable synthesis of high-temperature H-2-sieving membranesfor energy-efficient carbon capture can potentiallyenable the implementation of precombustion carbon capture at a rapidpace. ...

AMER CHEMICAL SOC2023

Molecular simulation on two-dimensional nanoporous material for energy-efficient separation

Mohammad Tohidivahdat

The energy-consumption by the chemical and petrochemical industry in the European Union (EU) accounts for about quarter of its energy footprint. Approximately half of this energy goes toward chemical separation, currently dominated by thermally-driven pro ...

EPFL2023

New methods for structure determination and speciation by NMR crystallography

Martins Balodis

NMR crystallography has been around for half a century, but with the advent of NMR crystal structure determination protocols in the last decade it has shown perspectives that were not seen before. Amalgamation of NMR and crystal structure determination has ...

EPFL2022

Concrete cancer : characterization of Alkali Silica Reaction early stage products by electron microscopy

Solène Anne-Lise Albinski

Concrete deterioration is a natural process, which has to be carefully monitored over a the service life of a structure. The Alkali-Silica Reaction (ASR) is a slow-process degradation, which devel-ops over decades and is therefore difficult to predict. Sin ...

EPFL2022

Cubic, hexagonal and tetragonal FeGex phases (x = 1, 1.5, 2): Raman spectroscopy and magnetic properties

Anna Fontcuberta i Morral, Dirk Grundler, Santhanu Panikar Ramanandan, Nicolas Tappy, Mirjana Dimitrievska, Anna Kúkol'ová

There is currently an emerging drive towards computational materials design and fabrication of predicted novel materials. One of the keys to developing appropriate fabrication methods is determination of the composition and phase. Here we explore the FeGe ...

2021

Novel photoelectric material of perovskite-like (CH3)(3)SPbI3 nanorod arrays with high stability

Mohammad Khaja Nazeeruddin, Tom Theodorus Antonius Lummen, Wei Liu, Ruiyuan Hu, Shanshan Xiao

Organometallic halide perovskite materials make great achievements in optoelectronic fields, especially in solar cells, in which the organic cations contain amine components. However, the amine with N-H bonds is easily hydrolyzed with moisture in the air, ...

2021

The Role of Alkyl Chain Length and Halide Counter Ion in Layered Dion−Jacobson Perovskites with Aromatic Spacers

Michael Graetzel, Jacques-Edouard Moser, Joachim Maier, Jovana Milic, Michael Allan Hope, George Cameron Fish, Algirdas Ducinskas, Loï Charles Carbone, Davide Moia

Layered hybrid perovskites based on Dion−Jacobson phases are of interest to various optoelectronic applications. However, the understanding of their structure−property relationships remains limited. Here, we present a systematic study of Dion−Jacobson pero ...

2021

Chalcogenide glasses for innovation in applied science: fundamental issues and new insights

Assil Bouzid, Carlo Massobrio

We provide an overview of what has been accomplished by our team, since 1998, in the area of first-principles molecular dynamics (FPMD) modeling of glassy chalcogenides, a prototypical family of network-forming disordered materials. After a broad introduct ...

IOP PUBLISHING LTD2020

Strain glass transition of cobalt phase in a cemented carbide

Daniele Mari, Thomas La Grange, Samy Adjam

Cemented carbides are hard materials used for the fabrication of cutting tools. They consist of hard micron or sub-micron carbide grains held together in a matrix of a tough metallic binder such as cobalt. The understanding and control of cobalt characteri ...

ELSEVIER SCI LTD2020

Structural and Dynamical Properties of Potassium Dodecahydro-monocarba-closo-dodecaborate: KCB11H12

Mirjana Dimitrievska, Wei Zhou

MCB11H12 (M: Li, Na) dodecahydro-monocarba-closo-dodecaborate salt compounds are known to have stellar superionic Li+ and Na+ conductivities in their high-temperature disordered phases, making them potentially appealing electrolytes in all-solid-state batt ...

AMER CHEMICAL SOC2020

Crystallization and Organic Field-Effect Transistor Performance of a Hydrogen-Bonded Quaterthiophene

Rosario Scopelliti, Holger Frauenrath, Anne-Clémence Corminboeuf, Philippe Bugnon, Stéphane Suarez, Riccardo Petraglia, Bilal Özen, Jan Gebers, Piotr De Silva

Crystalline thin films of pi-conjugated molecules are relevant as the active layers in organic electronic devices. Therefore, materials with enhanced control over the supramolecular arrangement, crystallinity, and thin-film morphology are desirable. Herein ...

2020

Diffraction artefacts from twins and stacking faults, and the mirage of hexagonal, polytypes or other superstructures

Cyril Cayron

Recently, a hexagonal phase has been reported in high carbon steels in several studies. Here, we show that the electron microscopy results used in these studies were erroneously interpreted. The extra-spots in the diffraction patterns and the odd contrasts ...

2020

Tuning high-Q nonlinear dynamics in a disordered quantum magnet

Gabriel Aeppli

Quantum states cohere and interfere. Atoms arranged imperfectly in a solid rarely display these properties. Here we demonstrate an exception in a disordered quantum magnet that divides itself into nearly isolated subsystems. We probe these coherent spin cl ...

Nature Research2019

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

David Lyndon Emsley, Arthur César Pinon, Albert Hofstetter, Federico Maria Paruzzo, Martins Balodis

NMR-based crystallography approaches involving the combination of crystal structure prediction methods, ab initio calculated chemical shifts and solid-state NMR experiments are powerful methods for crystal structure determination of microcrystalline powder ...

2019

Shock-produced high-pressure (La, Ce, Th)PO4 polymorph revealed by microstructural phase heritage of monazite

Cyril Cayron

The responses of uranium-bearing accessory minerals to shock metamorphism have received growing interest, because under extreme pressure and temperature conditions, these phases can form unique microstructures and/or polymorphs and their radiometric ages c ...

GEOLOGICAL SOC AMER, INC2019

Combining experiments and modeling to explore the solid solution strengthening of high and medium entropy alloys

William Curtin, Céline Varvenne

The mechanical properties due to solid solution strengthening are explored within the single phase face-centered cubic (fcc) domain of the Co-Cr-Fe-Mn Ni high entropy alloy (HEA) system. This is achieved by combining an efficient and reproducible metallurg ...

2019

In Situ Deformation Studies of HCP Metal Alloys with Neutron Diffraction, X-Ray Diffraction, and High Resolution Digital Image Correlation

Karl Alan Sofinowski

Mg and Ti alloys are attractive materials for structural applications in the transportation and biomedical industries due to their high strength-to-weight ratios. However, due to their hexagonally close-packed (HCP) lattice structure, they exhibit poor for ...

EPFL2019

A Bayesian approach to NMR crystal structure determination

David Lyndon Emsley, Michele Ceriotti, Albert Hofstetter, Edgar Albert Engel, Federico Maria Paruzzo, Andrea Anelli

Nuclear Magnetic Resonance (NMR) spectroscopy is particularly well suited to determine the structure of molecules and materials in powdered form. Structure determination usually proceeds by finding the best match between experimentally observed NMR chemica ...

2019

Variant selection in martensitic steels

Annick Pauline Baur

The martensitic phase transformation in steel is one of the most famous solid state transformation because of its contribution in the development of the modern industry. This transformation from a face-centered cubic (FCC) high temperature phase, called th ...

EPFL2019