Combinatorial Materials Science: What's New Since Edison?

MRS Bulletin ◽  
2002 ◽  
Vol 27 (4) ◽  
pp. 295-300 ◽  
Author(s):  
Eric J. Amis ◽  
Xiao-Dong Xiang ◽  
Ji-Cheng Zhao
Keyword(s):  
Coming Out ◽  
High Efficiency ◽  
Materials Science ◽  
Academic Community ◽  
Structure Property ◽  
New Paradigm ◽  
Structure Property Relationships ◽  
Scientific Goal ◽  
Combinatorial Materials ◽  
Combinatorial Methods

AbstractCombinatorial methods are high-efficiency methods to create large composition “libraries” of materials, for example, continuous composition variations, and test those compositions systematically in parallel for specific properties of interest, in contrast to the time-consuming one-composition-at-a-time approach. These methods have captured the attention of the materials industry with the promise of providing new discoveries “faster, better, and cheaper.” However, in the academic community, combinatorial methods often meet with less enthusiasm, perhaps due to the perception of combinatorial methodology as an Edisonian approach to science. The facts are quite to the contrary. In addition to impressive successes arising from the application of combinatorial methods to materials discovery, results coming out of systematic high-throughput investigations of complex materials phenomena (which would be too time-consuming or expensive to undertake) provide data leading to improvement in theories and models of materials chemistry and physics. Indeed, combinatorial methods provide a new paradigm for advancing a central scientific goal—the fundamental understanding of structure–property relationships of materials behavior.

The Rapid Discovery of Novel Dielectric and Magnetic Ceramics, and Structure-Property Relationships, through Combinatorial High Throughput Methods

2012 ◽  
Vol 2012 (CICMT) ◽  
pp. 000650-000657
Author(s):  
Robert C. Pullar
Keyword(s):  
Thin Films ◽  
Thick Film ◽  
High Throughput ◽  
Materials Science ◽  
Processing Parameters ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Large Numbers ◽  
Property Data ◽  
Combinatorial Materials

Combinatorial Materials Science is the rapid synthesis and analysis of large numbers of compositions in parallel, created through many combinations of a small number of starting materials. The various samples are synthesised in a single piece, or on a single substrate, called a “library”. To date, most Materials Science combinatorial high throughput methods use deposited thin films. However, for many ceramic interconnect applications, bulk or thick film ceramics are required. It could also be argued that bulk properties are much more relevant than those of thin films when constructing large structure-property data bases, for data mining and prediction of novel compositions. Strain and skin effects in thin films often cause major discrepancies, e.g. ferroelectric measurements, changes in lattice parameters. Also, many thin films are epitaxial or single crystal, and hence have no grain boundaries, which can have a large effect on properties. At Aveiro we are developing novel methods of processing and analysing multiple combinatorial high throughput thick film or bulk ceramic libraries, as a series of compositional and functional steps. These can be produced with or without a supporting substrate. As well as composition, effects of variation in processing parameters such as firing temperature, time, atmosphere, substrate / electrode reactions, etc. can also be investigated. The structure-property relationships of dielectric, magnetic, and particularly magnetoelectric / multiferroic ceramics, are highly complex and difficult to predict, and therefore combinatorial searching could be an essential tool. As well as accelerating discovery, the amount of quantitative data produced will enable accurate predictions for multifunctional materials.

scholarly journals The quest for stiff, strong and tough hybrid materials: an exhaustive exploration

2013 ◽  
Vol 10 (89) ◽  
pp. 20130711 ◽  
Author(s):  
F. Barthelat ◽  
M. Mirkhalaf
Keyword(s):  
Topology Optimization ◽  
Spider Silk ◽  
Design Space ◽  
Materials Science ◽  
Mechanical Performance ◽  
Soft Materials ◽  
Global Approach ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Global Optima

How to arrange soft materials with strong but brittle reinforcements to achieve attractive combinations of stiffness, strength and toughness is an ongoing and fascinating question in engineering and biological materials science. Recent advances in topology optimization and bioinspiration have brought interesting answers to this question, but they provide only small windows into the vast design space associated with this problem. Here, we take a more global approach in which we assess the mechanical performance of thousands of possible microstructures. This exhaustive exploration gives a global picture of structure–property relationships and guarantees that global optima can be found. Landscapes of optimum solutions for different combinations of desired properties can also be created, revealing the robustness of each of the solutions. Interestingly, while some of the major hybrid designs used in engineering are absent from the set of solutions, the microstructures emerging from this process are reminiscent of materials, such as bone, nacre or spider silk.

scholarly journals The phase stability network of all inorganic materials

2020 ◽  
Vol 6 (9) ◽  
pp. eaay5606 ◽  
Author(s):  
Vinay I. Hegde ◽  
Muratahan Aykol ◽  
Scott Kirklin ◽  
Chris Wolverton
Keyword(s):  
Phase Stability ◽  
Density Functional ◽  
Materials Science ◽  
Inorganic Materials ◽  
Structure Property ◽  
Two Phase ◽  
Functional Theory ◽  
Structure Property Relationships ◽  
Complementary Approach ◽  
Tie Line

One of the holy grails of materials science, unlocking structure-property relationships, has largely been pursued via bottom-up investigations of how the arrangement of atoms and interatomic bonding in a material determine its macroscopic behavior. Here, we consider a complementary approach, a top-down study of the organizational structure of networks of materials, based on the interaction between materials themselves. We unravel the complete “phase stability network of all inorganic materials” as a densely connected complex network of 21,000 thermodynamically stable compounds (nodes) interlinked by 41 million tie line (edges) defining their two-phase equilibria, as computed by high-throughput density functional theory. Analyzing the topology of this network of materials has the potential to uncover previously unidentified characteristics inaccessible from traditional atoms-to-materials paradigms. Using the connectivity of nodes in the phase stability network, we derive a rational, data-driven metric for material reactivity, the “nobility index,” and quantitatively identify the noblest materials in nature.

Structure, magnetism, and thermodynamics of the novel rare earth-based R5T4 intermetallics

2007 ◽  
Vol 79 (8) ◽  
pp. 1383-1402 ◽  
Author(s):  
V. K. Pecharsky ◽  
K. A. Gschneidner
Keyword(s):  
Rare Earth ◽  
Materials Science ◽  
Solid State Chemistry ◽  
The Novel ◽  
Structure Property ◽  
Group 14 ◽  
Structure Property Relationships ◽  
Body Of Knowledge ◽  
Group 14 Elements ◽  
Magnetic Transport

After approximately 30 years of dormancy, the binary, ternary, and multicomponent intermetallic compounds of rare earth metals (R) with the group 14 elements (T) at the R5T4 stoichiometry have become a goldmine for materials science, condensed matter physics, and solid-state chemistry. In addition to providing numerous opportunities to clarify elusive structure-property relationships, the R5T4 compounds may soon be developed into practical materials by exploiting their unique sensitivity toward a variety of chemical and physical triggers. The distinctiveness of this series is in the remarkable flexibility of the chemical bonding between well-defined, self-assembled, subnanometer-thick slabs and the resultant magnetic, transport, and thermodynamic properties of the R5T4 compounds that can be controlled by varying either or both R and T, including mixed rare earth elements on the R-sites and different group 14 (and 13 or 15) elements occupying the T-sites. In addition to chemical means, the interslab interactions are tunable by temperature, pressure, and magnetic field. Presently, a substantial, yet far from complete, body of knowledge exists about the Gd compounds with T = Si and Ge. In contrast, only a little is known about the physics and chemistry of R5T4 alloys with other lanthanides, while compounds with T = Sn and Pb remain virtually unexplored.

Combinatorial Methods for Investigations in Polymer Materials Science

MRS Bulletin ◽  
2002 ◽  
Vol 27 (4) ◽  
pp. 330-335 ◽  
Author(s):  
J. Carson Meredith ◽  
Alamgir Karim ◽  
Eric J. Amis
Keyword(s):  
High Throughput Screening ◽  
Materials Science ◽  
Substrate Surface ◽  
Polymer Processing ◽  
Polymer Materials ◽  
Structure Property ◽  
Fundamental Properties ◽  
Recent Advances ◽  
Materials Research ◽  
Combinatorial Methods

AbstractWe review recent advances in the development of combinatorial methods for polymer characterization. Applied to materials research, combinatorial methodologies allow efficient testing of structure–property hypotheses (fundamental characterization) as well as accelerated development of new materials (materials discovery). Recent advances in library preparation and high-throughput screening have extended combinatorial methods to a wide variety of phenomena encountered in polymer processing. We first present techniques for preparing continuous-gradient polymer “libraries” with controlled variations in temperature, composition, thickness, and substrate surface energy. These libraries are then used to characterize fundamental properties such as polymer-blend phase behavior, thin-film dewetting, block-copolymer order–disorder transitions, and cell interactions with surfaces of biocompatible polymers.

Structure-property relationships of PE/PP sandwiched films

1987 ◽  
Vol 45 ◽  
pp. 454-455
Author(s):  
J. Petermann ◽  
G. Broza ◽  
U. Rieck ◽  
A. Jaballah ◽  
A. Kawaguchi
Keyword(s):  
Mechanical Tests ◽  
Polymer Materials ◽  
Ionic Crystals ◽  
Structure Property ◽  
Polymer Systems ◽  
Structure Property Relationships ◽  
Oriented Films ◽  
Materials Used ◽  
Polymer Laminates ◽  
Heated Glass

Oriented overgrowth of polymer materials onto ionic crystals is well known and recently it was demonstrated that this epitaxial crystallisation can also occur in polymer/polymer systems, under certain conditions. The morphologies and the resulting physical properties of such systems will be presented, especially the influence of epitaxial interfaces on the adhesion of polymer laminates and the mechanical properties of epitaxially crystallized sandwiched layers.Materials used were polyethylene, PE, Lupolen 6021 DX (HDPE) and 1810 D (LDPE) from BASF AG; polypropylene, PP, (PPN) provided by Höchst AG and polybutene-1, PB-1, Vestolen BT from Chemische Werke Hüls. Thin oriented films were prepared according to the method of Petermann and Gohil, by winding up two different polymer films from two separately heated glass-plates simultaneously with the help of a motor driven cylinder. One double layer was used for TEM investigations, while about 1000 sandwiched layers were taken for mechanical tests.

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