A general method to synthesize and sinter bulk ceramics in seconds

Science ◽  
2020 ◽  
Vol 368 (6490) ◽  
pp. 521-526 ◽  
Author(s):  
Chengwei Wang ◽  
Weiwei Ping ◽  
Qiang Bai ◽  
Huachen Cui ◽  
Ryan Hensleigh ◽  
...  
Keyword(s):  
First Principles ◽  
Ceramic Materials ◽  
Inert Atmosphere ◽  
Radiative Heating ◽  
Volatile Element ◽  
Processing Times ◽  
Element Loss ◽  
Compositional Control ◽  
Computational Predictions ◽  
General Method

Ceramics are an important class of materials with widespread applications because of their high thermal, mechanical, and chemical stability. Computational predictions based on first principles methods can be a valuable tool in accelerating materials discovery to develop improved ceramics. It is essential to experimentally confirm the material properties of such predictions. However, materials screening rates are limited by the long processing times and the poor compositional control from volatile element loss in conventional ceramic sintering techniques. To overcome these limitations, we developed an ultrafast high-temperature sintering (UHS) process for the fabrication of ceramic materials by radiative heating under an inert atmosphere. We provide several examples of the UHS process to demonstrate its potential utility and applications, including advancements in solid-state electrolytes, multicomponent structures, and high-throughput materials screening.

scholarly journals General method for atomistic spin-lattice dynamics with first-principles accuracy

2019 ◽  
Vol 99 (10) ◽  
Author(s):  
Johan Hellsvik ◽  
Danny Thonig ◽  
Klas Modin ◽  
Diana Iuşan ◽  
Anders Bergman ◽  
...  
Keyword(s):  
First Principles ◽  
Lattice Dynamics ◽  
Spin Lattice ◽  
General Method

Analysis of the Motion of a Flexible Shaft Inside a Guide Tube

1963 ◽  
Vol 30 (3) ◽  
pp. 379-383
Author(s):  
M. F. Massoud
Keyword(s):  
First Principles ◽  
Angular Displacement ◽  
Guide Tube ◽  
Circular Arc ◽  
Switching Device ◽  
Flexible Shaft ◽  
Arbitrary Configuration ◽  
General Method ◽  
Russian Publication

A general method for analysis of the behavior of a flexible frictionless shaft of any arbitrary configuration running inside of a guide tube with negligible clearance and transmitting torque is presented. The method is applied to two configurations: (a) Segment of a plane circular arc. (b) Segment of a helical arc. The first configuration was discussed partially in a Russian publication where the solution for the angular displacement of an unloaded shaft was derived from first principles. The theory also is applied to the analysis of a switching device composed of a Wire-In-Tube with corrections to the solution given there.

scholarly journals Semi-Experimental Determination of the Linear Clamped Electro-Optical Coefficients of Polar Crystals from Vibrational Spectroscopic Data

Crystals ◽  
2021 ◽  
Vol 12 (1) ◽  
pp. 52
Author(s):  
Eric Bouhari ◽  
Ballo Mohamadou ◽  
Patrice Bourson
Keyword(s):  
First Principles ◽  
Soft Mode ◽  
Dielectric Susceptibility ◽  
First Principles Calculations ◽  
Mode Behavior ◽  
Direct Measurements ◽  
Semi Empirical ◽  
General Method ◽  
Good Agreement

The present work highlights a new general method devoted to computations of the clamped linear electro-optical coefficients from the measured fundamental vibrational frequencies and the nonlinear dielectric susceptibility constants. The calculations are based on the formula analog to that of the Lyddane–Sachs–Teller relation, which is systematically used for the calculations of the clamped linear electro-optical coefficient of oxide ferroelectric crystals such as LiNbO3, LiTaO3, BaTiO3, PbTiO3, and KNbO3. The computed electro-optical coefficients are in good agreement with those obtained from direct measurements and the first-principles calculations or other semi-empirical models. In addition, the famous r51 or r42 coefficients of the tetragonal BaTiO3, PbTiO3, and KNbO3 crystals are finally calculated with high accuracy and discussed in connection with the soft mode behavior.

First-principles studies of spontaneous polarization in mixed poly(vinylidene fluoride)/2,3,3,3-tetrafluoropropene polymer crystals

Soft Matter ◽  
2018 ◽  
Vol 14 (13) ◽  
pp. 2484-2491 ◽  
Author(s):  
Ayana Ghosh ◽  
Lydie Louis ◽  
Alexandru D. Asandei ◽  
Serge Nakhmanson
Keyword(s):  
Spontaneous Polarization ◽  
First Principles ◽  
Vinylidene Fluoride ◽  
Polymer Crystals ◽  
Poly Vinylidene Fluoride ◽  
Computational Predictions

Computational predictions suggest that mixed β poly(vinylidene fluoride) and 2,3,3,3-tetrafluoropropene (PVDF/TFP) systems should exhibit the same or higher polarization than that of perfectly crystalline β-PVDF.

scholarly journals Advanced ceramics and relevant polymers for environmental and biomedical applications

2020 ◽  
Vol 10 (4) ◽  
pp. 5747-5754 ◽  
Keyword(s):  
Biomedical Applications ◽  
Polymeric Materials ◽  
Ceramic Materials ◽  
Inert Atmosphere ◽  
Advanced Ceramics ◽  
Heat Engines ◽  
Sic Ceramics ◽  
Advanced Technologies ◽  
Inorganic Substrates ◽  
Dental Applications

Ceramics result from combinations and structural arrangements of inorganic substrates for metals and nonmetals. They bind covalently forming ceramic with distinctive properties. Advanced ceramics can be applied in progressive applications. They comprise advanced heat engines for communication and energy transmission. They are developing among the required materials for advanced technologies. Advanced ceramics are getting along modern technological applications. Researches and studies focus on enhancing and optimizing the desired properties. They are trying to overcome some disadvantages such as brittleness and poor mechanical properties. Polymers play an important role in either forming ceramics or blending with them to form efficient composites. Some polymers are classified as inorganic and organic materials such as polysilazanes. They consist of silicon, nitrogen, hydrogen and carbon in certain cases. Polysilazanes act as precursors to SiO2, Si3N4 and SiC ceramics. Perceramic polymers are pyrolyzed polymeric materials in an inert atmosphere producing ceramic materials. Ceramics can be applied in the absence or the presence of polymers in various fields. They comprise wear related, environmental and electrical applications as well. Bioceramics and biopolymers were used as implants in orthopaedics. Zirconia based ceramics act as successful materials to be applied in dental applications.

First principles study of ceramic materials (IVB group carbides) under ultrafast laser irradiation

2018 ◽  
Vol 27 (3) ◽  
pp. 036301
Author(s):  
Nan-Lin He ◽  
Xin-Lu Cheng ◽  
Hong Zhang ◽  
Gai-Qin Yan ◽  
Jia Zhang
Keyword(s):  
Laser Irradiation ◽  
First Principles ◽  
Ceramic Materials ◽  
Ultrafast Laser ◽  
First Principles Study

Volatile element loss during planetary magma ocean phases

Icarus ◽  
2018 ◽  
Vol 300 ◽  
pp. 249-260 ◽  
Author(s):  
Jasmeet K. Dhaliwal ◽  
James M.D. Day ◽  
Frédéric Moynier
Keyword(s):  
Magma Ocean ◽  
Volatile Element ◽  
Element Loss

scholarly journals Dissociation mechanism of H2 molecule on the Li2O/hydrogenated-Li2O (111) surface from first principles calculations

RSC Advances ◽  
2017 ◽  
Vol 7 (56) ◽  
pp. 35239-35250 ◽  
Author(s):  
Xianggang Kong ◽  
You Yu ◽  
Shenggui Ma ◽  
Tao Gao ◽  
Chengjian Xiao ◽  
...  
Keyword(s):  
First Principles ◽  
Ceramic Materials ◽  
First Principles Calculations ◽  
Dissociation Mechanism ◽  
Hydrogen Molecules ◽  
Purge Gas ◽  
H2 Molecule

Hydrogen molecules in a purge gas are known to enhance the release of tritium from lithium ceramic materials, which has been demonstrated in numerous in-pile experiments.

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