Exploring additive manufacturing as a high-throughput screening tool for multiphase high entropy alloys
Not Available
Pegues, Jonathan W.↗
SEARCH · Engineering Papers
Results for “High Throughput”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Machine learning and high-throughput computational guided development of high temperature oxidation-resisting Ni-Co-Cr-Al-Fe based high-entropy alloys
Not Available
Tan, Xingru (ORCID:0000000347504145)↗
High‐throughput combinatorial approach expedites the synthesis of a lead‐free relaxor ferroelectric system
Abstract Developing novel lead‐free ferroelectric materials is crucial for next‐generation microelectronic technologies that are energy efficient and environment friendly. However, materials discovery and property optimization are typically time‐consuming due to the limited throughput of traditional synthesis methods. In this work, we use a high‐throughput combinatorial synthesis approach to fabricate lead‐free ferroelectric superlattices and solid solutions of (Ba 0.7 Ca 0.3 )TiO 3 (BCT) and Ba(Zr 0.2 Ti 0.8 )O 3 (BZT) phases with continuous variation of composition and layer thickness. High‐resolution x‐ray diffraction (XRD) and analytical scanning transmission electron microscopy (STEM) demonstrate high film quality and well‐controlled compositional gradients. Ferroelectric and dielectric property measurements identify the “optimal property point” achieved at the composition of 48BZT–52BCT. Displacement vector maps reveal that ferroelectric domain sizes are tunable by varying {BCT–BZT} N superlattice geometry. This high‐throughput synthesis approach can be applied to many other material systems to expedite new materials discovery and properties optimization, allowing for the exploration of a large area of phase space within a single growth. image
36 MATERIALS SCIENCE↗
Understanding, inhibiting, and engineering membrane transporters with high-throughput mutational screens
Promiscuous membrane transporters play vital roles across domains of life, mediating the uptake and efflux of structurally and chemically diverse substrates. Although many transporter structures have been solved, the fundamental rules of polyspecific transport remain inscrutable. In recent years, high-throughput genetic screens have solidified as powerful tools for comprehensive, unbiased measurements of variant function and hypothesis generation, but have had infrequent application and limited impact in the transporter field. In this primer, we describe the principles of high-throughput screening methods available for studying polyspecific transporters and comment on the necessity and potential of high-throughput methods for deciphering these transporters in particular. We present several screening approaches which could provide a fundamental understanding of the molecular basis of function and promiscuity in transporters. Here, we further posit how this knowledge can be leveraged to design inhibitors that combat multidrug resistance and engineer transporters as needed tools for synthetic biology and biotechnology applications.
EPIs↗
High-throughput micro-scale bandgap mapping for perovskite-inspired materials with complex composition space
Abstract To realize the full promise of high-throughput experimental workflows, the rate of sample synthesis must be matched by that of characterization. Of growing interest are contactless optical techniques that can rapidly measure material homogeneity and properties. Here, we present a hyperspectral imaging method to measure local optical bandgap distributions within samples, utilizing spatially-resolved reflectance spectra coupled with automated data analysis. We collect approximately one million optical bandgap data across the compositional space of Cs 3 (Bi x Sb 1-x ) 2 (Br y I 1-y ) 9 perovskite-inspired materials. Our results show non-monotonic bandgap variations (i.e., bandgap bowing) along six composition gradient sequences, in addition to identifying samples with multiple bandgaps in statistics. High-throughput transient absorption spectroscopy reveals that within these compositions, the depletion of the ground state carriers to excited states occurred at discrete energy levels with independent carrier dynamics, consistent with the bandgap observation and indicative of phase separation. This work demonstrates the potential for rapid optical measurements to assess material quality and homogeneity in a high-throughput experimental setting, supporting screening and recipe optimization of optoelectronic material candidates with desired carrier dynamics and optical properties.
Science & Technology - Other Topics↗
Probing specificities of alcohol acyltransferases for designer ester biosynthesis with a high–throughput microbial screening platform
Alcohol acyltransferases (AATs) enables microbial biosynthesis of a large space of esters by condensing an alcohol and an acyl-CoA. However, substrate promiscuity of AATs prevents microbial biosynthesis of designer esters with high selectivity. Here, we developed a high-throughput microbial screening platform that facilitates rapid identification of AATs for designer ester biosynthesis. First, we established a microplate-based culturing technique with in situ fermentation and extraction of esters. We validated its capability in rapid profiling of the alcohol substrate specificity of 20 chloramphenicol acetyltransferase variants derived from Staphylococcus aureus (CAT Sa ) for microbial biosynthesis of acetate esters with various exogeneous alcohol supply. By coupling the microplate-based culturing technique with a previously established colorimetric assay, we developed a high-throughput microbial screening platform for AATs. We demonstrated that this platform could not only probe the alcohol substrate specificity of both native and engineered AATs but also identify the beneficial mutations in engineered AATs for enhanced ester synthesis. Here, we anticipate the high-throughput microbial screening platform provides a useful tool to identify novel wildtype and engineered AATs that have important roles in nature and industrial biocatalysis for designer bioester production.
2-phenhylethyl acetate↗
High throughput X-ray optics - An overview
Techniques for the production of high-throughput modular arrays of telescopes with net collecting areas exceeding 10 to the 5th sq cm and 20-arsec angular resolution are discussed. Techniques considered include the automated figuring of flats as parabolic reflectors, the replication of cylindrical shells, the alignment of thin lacquer-coated conical foils, electroforming, and the use of large diamond turning machines. High-throughput programs are described, and it is noted that future missions will emphasize high resolution spectroscopy.
Gorenstein, Paul↗
High Throughput Genome Releaser
In this study, we present the development of a High Throughput Genome Releaser, an innovative device addressing common challenges in screening PCR. This genome DNA releaser is designed for rapid, cost-effective, and efficient DNA extraction, optimized for subsequent PCR reactions. Our experimentation with various synthetic materials led us to select a particular type of plastic that mirrors the properties of glass cover slides, providing a smooth surface and effective compression capabilities. We engineered a 96-well device equipped with a 96-well plate and a top rod, operable both manually and automatically, which is compatible with widely used liquid-handling robot decks. This compatibility enhances ease of use in high-throughput PCR setups. Additionally, we developed software to support its automatic functions. The genome releaser facilitates the extraction of PCR-amplifiable genomic DNA from 96 samples within minutes, eliminates the need for extraction buffers, and is adaptable to a wide range of microorganisms and cells. This versatility could significantly advance biomanufacturing processes.
42 ENGINEERING↗
Machine learned potential for high-throughput phonon calculations of metal—organic frameworks
Metal–organic frameworks (MOFs) are highly porous and versatile materials studied extensively for applications such as carbon capture and water harvesting. However, computing phonon-mediated properties in MOFs, like thermal expansion and mechanical stability, remains challenging due to the large number of atoms per unit cell, making traditional Density Functional Theory (DFT) methods impractical for high-throughput screening. Recent advances in machine learning potentials have led to foundation atomistic models, such as MACE-MP-0, that accurately predict equilibrium structures but struggle with phonon properties of MOFs. In this work, we developed a workflow for computing phonons in MOFs within the quasi-harmonic approximation with a fine-tuned MACE model, MACE-MP-MOF0. The model was trained on a curated dataset of 127 representative and diverse MOFs. The fine-tuned MACE-MP-MOF0 improves the accuracy of phonon density of states and corrects the imaginary phonon modes of MACE-MP-0, enabling high-throughput phonon calculations with state-of-the-art precision. The model successfully predicts thermal expansion and bulk moduli in agreement with DFT and experimental data for several well-known MOFs. These results highlight the potential of MACE-MP-MOF0 in guiding MOF design for applications in energy storage and thermoelectrics.
Elena, Alin Marin↗
High-throughput combinatorial approach expedites the synthesis of a lead-free relaxor ferroelectric system
Developing novel lead-free ferroelectric materials is crucial for next-generation microelectronic technologies that are energy efficient and environment friendly. However, materials discovery and property optimization are typically time-consuming due to the limited throughput of traditional synthesis methods. In this work, we use a high-throughput combinatorial synthesis approach to fabricate lead-free ferroelectric superlattices and solid solutions of (Ba 0.7 Ca 0.3 )TiO 3 (BCT) and Ba(Zr 0.2 Ti 0.8 )O 3 (BZT) phases with continuous variation of composition and layer thickness. High-resolution x-ray diffraction (XRD) and analytical scanning transmission electron microscopy (STEM) demonstrate high film quality and well-controlled compositional gradients. Ferroelectric and dielectric property measurements identify the “optimal property point” achieved at the composition of 48BZT–52BCT. Displacement vector maps reveal that ferroelectric domain sizes are tunable by varying {BCT–BZT} N superlattice geometry. This high-throughput synthesis approach can be applied to many other material systems to expedite new materials discovery and properties optimization, allowing for the exploration of a large area of phase space within a single growth.
36 MATERIALS SCIENCE↗
High‐Throughput Study of Amorphous Stability and Optical Properties of Superlattice‐Like Ge–Sb–Te Thin Films
A high‐throughput ion beam sputtering system is used to synthesize compositional gradient superlattice‐like (SLL) thin film libraries of Ge–Sb–Te alloys over the entire phase diagram. Here, the optical properties and structural evolution of the Ge–Sb–Te combinatorial SLL thin film are investigated. A systematic screening over the annealing temperature, annealing time, and modulation period has elucidated the critical factors that affect the stability of the metastable phase and optical properties. It is found that amorphous stability and optical constant are highly dependent on the modulation period and chemical composition of the thin film. This data‐driven approach offers new perspectives for accelerating the development of new materials with excellent optical and amorphous stability and for exploring their mechanisms, by greatly expanding the dataset of Ge–Sb–Te alloys with SLL structures through high‐throughput experiments.
36 MATERIALS SCIENCE↗
New Directions for Thermoelectrics: A Roadmap from High‐Throughput Materials Discovery to Advanced Device Manufacturing
Thermoelectric materials, which can convert waste heat into electricity or act as solid‐state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering materials with high thermoelectric conversion efficiency is a complex and slow process. The emerging field of high‐throughput material discovery demonstrates its potential to accelerate the development of new thermoelectric materials combining high efficiency and low cost. The synergistic integration of high‐throughput material processing and characterization techniques with machine learning algorithms can form an efficient closed‐loop process to generate and analyze broad datasets to discover new thermoelectric materials with unprecedented performances. Meanwhile, the recent development of advanced manufacturing methods provides exciting opportunities to realize scalable, low‐cost, and energy‐efficient fabrication of thermoelectric devices. This review provides an overview of recent advances in discovering thermoelectric materials using high‐throughput methods, including processing, characterization, and screening. Advanced manufacturing methods of thermoelectric devices are also introduced to realize the broad impacts of thermoelectric materials in power generation and solid‐state cooling. In the end, this article also discusses the future research prospects and directions.
Song, Kaidong↗
A Robotic High-Throughput Grid-Search Platform for Mapping Phase Behavior in Triblock Copolymer–Homopolymer Blends
We present a high-throughput experimental investigation of the phase behavior in triblock copolymers (PS-b-PB-b-PS and PS-b-PI-b-PS) and polystyrene (PS) homopolymer blends as a function of homopolymer molecular weight (MW) and blend ratio. Using a robotic thin-film processing platform (NOVA) integrated with Grazing Incidence Small-Angle X-ray Scattering (GISAXS) and Atomic Force Microscopy (AFM), we systematically mapped the order–disorder transition (ODT) boundaries and domain spacing evolution across a broad MW range (4.0–101.3 kDa) with varying homopolymer loadings (10% to 90%). The results reveal three distinct regimes: low-MW homopolymers, corresponding to the wet-brush regime produced only gradual domain swelling before disordering at high blend ratios (weight fraction); medium-MW homopolymers, corresponding to thedry-brush regime induced significant domain spacing increase up to 80% followed by earlier disordering, while high-MW homopolymers led to macrophase separation with minimal changes in domain spacing. Additionally, coarse-grained molecular dynamics simulations confirmed our experimental finding that in the low-MW region, the PS homopolymer uniformly distributed in the PS domain. These findings demonstrate that homopolymer molecular weight critically governs both the extent of domain swelling and the onset of disorder in triblock copolymer systems. This high-throughput platform enables the rapid mapping of composition–morphology relationships and can be integrated with AI/ML tools for designing next-generation nanostructured polymers.
36 MATERIALS SCIENCE↗
Ion Mobility Spectrometry-Mass Spectrometry for High-Throughput Analysis
Ion mobility spectrometry is a widely used analytical technique providing gas phase separation of molecules. It has received increasing attention in the recent years with the advancement in technology development and the availability of commercial instruments. In this chapter, we introduced the ion mobility fundamental theory and provided examples of IMS applications, especially for isomer separation, collision cross section database generation, high throughput analysis workflows, software tools for IMS data analysis, and ongoing high resolution SLIM IMS development. While IMS is not yet routinely utilized in drug discovery and pharmaceutical industry, there has been increased interest in high throughput library screening and antibody characterization. With all the ongoing development in IMS technology and informatics, we foresee more and more exciting applications of high throughput IMS analysis in different fields including omics studies, drug discovery and clinical applications in the near future.
Ross, Dylan H.↗
High Throughput Data-Driven Design of Laser-Crystallized 2D MoS 2 Chemical Sensors: A Demonstration for NO 2 Detection
High throughput characterization and processing techniques are becoming increasingly necessary to navigate multivariable, data-driven design challenges for sensors and electronic devices. For two-dimensional materials, device performance is highly dependent upon a vast array of material properties including the number of layers, lattice strain, carrier concentration, defect density, and grain structure. In this work, laser crystallization was used to locally pattern and transform hundreds of regions of amorphous MoS 2 thin films into 2D 2H-MoS 2 . Here a high throughput Raman spectroscopy approach was subsequently used to assess the process-dependent structural and compositional variations for each illuminated region, yielding over 6000 distinct nonresonant, resonant, and polarized Raman spectra. The rapid generation of a comprehensive library of structural and compositional data elucidated important trends between structure–property processing relationships involving laser-crystallized MoS 2 , including the relationships between grain size, grain orientation, and intrinsic strain. Moreover, extensive analysis of structure/property relationships allowed for intelligent design and evaluation of major contributions to device performance in MoS 2 chemical sensors. In particular, it is found that NO 2 sensor performance is strongly dependent on the orientation of the MoS 2 grains relative to the crystal plane.
36 MATERIALS SCIENCE↗
Review of high-throughput techniques for detecting solid phase Transformation from material libraries produced by combinatorial methods
High-throughput measurement techniques are reviewed for solid phase transformation from materials produced by combinatorial methods, which are highly efficient concepts to fabricate large variety of material libraries with different compositional gradients on a single wafer. Combinatorial methods hold high potential for reducing the time and costs associated with the development of new materials, as compared to time-consuming and labor-intensive conventional methods that test large batches of material, one- composition at a time. These high-throughput techniques can be automated to rapidly capture and analyze data, using the entire material library on a single wafer, thereby accelerating the pace of materials discovery and knowledge generation for solid phase transformations. The review covers experimental techniques that are applicable to inorganic materials such as shape memory alloys, graded materials, metal hydrides, ferric materials, semiconductors and industrial alloys.
Lee, Jonathan A.↗
High-throughput synthesis of Mo-Nb-Ta-W high-entropy alloys via additive manufacturing
Not Available
36 MATERIALS SCIENCE↗
Micro-Mechanically Guided High-Throughput Alloy Design Exploration Towards Metastability-Induced H Embrittlement Resistance
We develop a high-throughput approach for studying H embrittlement (HE)-resistance in alloys, which is based on combinatorial compositional screening of metastability effects by in situ scanning electron microscopy H-analyses. The project objective included: (i) technique development of high-throughput screening (HTS) for HE-resistance, (ii) discovery of new metallic materials with superior HE-resistance, (iii) Multiscale verification of HE-resistance of the new alloys and H-barrier layers, from atomic scale to an engineering scale. The investigation focused on a model system that enables exploration of different metastable states in Fe-based complex-concentrated alloys. Composition spread islands with hundreds of varying compositions are fabricated on a single substrate using a combinatorial co-sputtering technique. To screen these alloys, we developed and employed a home-built SEM-based integrated analysis system capable of characterizing H-permeability, H-trapping, H-influence on mechanical properties, and other material properties, as well as atomistic to continuum simulations to study the underlying physics.
08 HYDROGEN↗