Combinatorial and High‐Throughput Materials Science

Maier, Wilhelm F.; Stoewe, Klaus; Sieg, Simone

doi:10.1002/chin.200743278

Cited by 42 publications

(63 citation statements)

References 1 publication

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“…An important strategy for the practical realization of these goals comes from the development and adoption of novel protocols for extracting critically needed materials information or knowledge in a high throughput manner. As a prime example, the functional and biological materials communities have successfully adopted combinatorial approaches for creating the requisite knowledge systems in their fields [57][58][59][60][61]. Such combinatorial approaches generally involve synthesis methods/protocols for generating materials or sample libraries that contain small volumes of a substantially large variety of materials corresponding to different chemistries and/or process histories.…”

Section: Application: High Throughput Exploration Of Process-propertymentioning

confidence: 99%

High throughput exploration of process-property linkages in Al-6061 using instrumented spherical microindentation and microstructurally graded samples

Weaver

Khosravani

Castillo

et al. 2016

Integr Mater Manuf Innov

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Recent spherical nanoindentation protocols have proven robust at capturing the local elastic-plastic response of polycrystalline metal samples at length scales much smaller than the grain size. In this work, we extend these protocols to length scales that include multiple grains to recover microindentation stress-strain curves. These new protocols are first established in this paper and then demonstrated for Al-6061 by comparing the measured indentation stress-strain curves with the corresponding measurements from uniaxial tension tests. More specifically, the scaling factors between the uniaxial yield strength and the indentation yield strength was determined to be about 1.9, which is significantly lower than the value of 2.8 used commonly in literature. The reasons for this difference are discussed. Second, the benefits of these new protocols in facilitating high throughput exploration of process-property relationships are demonstrated through a simple case study.

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Section: Application: High Throughput Exploration Of Process-propertymentioning

confidence: 99%

High throughput exploration of process-property linkages in Al-6061 using instrumented spherical microindentation and microstructurally graded samples

Weaver

Khosravani

Castillo

et al. 2016

Integr Mater Manuf Innov

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“…[11,14,16,17] and reviewed in Refs. [18][19][20]. Most probably, not the whole phase but only the surface of grains of the sensing materials contributes to chemosensitive resistance measurements.…”

Section: Resultsmentioning

confidence: 99%

Chemosensitive properties of electrically conductive Cu(I) compounds at room temperature

Wolpert

Leitl

Pfitzner

et al. 2008

Sensors and Actuators B: Chemical

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a b s t r a c tChanges of the electrical conductance of a number of inorganic copper(I) conductive compounds including Cu 12 Sb 4 S 13 , Cu 2 O, CuI, CuBr and CuCl were tested on exposure to different gases and vapors, including ammonia, nitrogen monoxide, octanethiol, hydrogen chloride, acetic acid, formic acid, ethanol, humidity and piperidine. The sensitivity of the resistivity to ammonia was estimated as 2.7%/ppm for CuBr, 1.4%/ppm for Cu 2 O, 1.2%/ppm for CuCl, 0.013%/ppm for CuI, but only 0.0028%/ppm for Cu 12 Sb 4 S 13 . The highest selectivity for ammonia was observed for Cu 12 Sb 4 S 13 . The sensitivity patterns of these materials to the tested gases and vapors are very different which makes them applicable for sensor arrays for identification and quantification of these species.

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“…In contrast to the single-stage development of the statistics-driven catalyst design, performance-driven catalyst design typically distinguishes between two development stages, i.e., a catalyst screening and a catalyst optimization stage [6,16,24]. During the catalyst screening stage, a wide variety of catalyst formulations are prepared, kinetically investigated and ranked based on activity, selectivity and stability performance at a single set of operating conditions.…”

Section: Performance-driven Catalyst Designmentioning

confidence: 99%

“…Most commercial catalysts on the market today are just slight variations of the catalyst identified bafck in time, i.e., a magnetite promoted by K2O, CaO, SiO2, and Al2O3. Many other successful examples of high-throughput based material development have been reported [6]. Most efforts have been spent on accelerating material synthesis and testing [7][8][9] by optimization of the catalyst library using e.g., the split and pool method [10], Design of Experiments (DoE) [11] or an evolutionary algorithm [12].…”

Section: Introductionmentioning

confidence: 99%

Information-Driven Catalyst Design Based on High-Throughput Intrinsic Kinetics

et al. 2015

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Abstract:A novel methodology is presented for more comprehensive catalyst development by maximizing the acquired information rather than relying on statistical methods or tedious, elaborate experimental testing. Two dedicated high-throughput kinetics (HTK) set-ups are employed to achieve this objective, i.e., a screening (HTK-S) and a mechanistic investigation one (HTK-MI). While the former aims at evaluating a wide range of candidate catalysts, a limited selection is more elaborately investigated in the latter one. It allows focusing on an in-depth mechanistic analysis of the reaction mechanism resulting in so called "kinetic" descriptors and on the effect of key catalysts properties, also denoted as "catalyst" descriptors, on the catalyst performance. Both types of descriptors are integrated into a (micro)kinetic model that allows a reliable extrapolation towards operating conditions and catalyst properties beyond those included in the high-throughput testing. A case study on ethanol conversion to hydrocarbons is employed to illustrate the concept behind this methodology. The methodology is believed to be particularly useful for potentially large-scale chemical reactions.

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Combinatorial and High‐Throughput Materials Science

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Cited by 42 publications

References 1 publication

High throughput exploration of process-property linkages in Al-6061 using instrumented spherical microindentation and microstructurally graded samples

High throughput exploration of process-property linkages in Al-6061 using instrumented spherical microindentation and microstructurally graded samples

Chemosensitive properties of electrically conductive Cu(I) compounds at room temperature

Information-Driven Catalyst Design Based on High-Throughput Intrinsic Kinetics

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