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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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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Exact image theory for the problem of dielectric/magnetic slab

Exact image method, recently introduced for the exact solution of electromagnetic field problems involving homogeneous half spaces and microstrip-like geometries, is developed for the problem of homogeneous slab of dielectric and/or magnetic material in free space. Expressions for image sources, creating the exact reflected and transmitted fields, are given and their numerical evaluation is demonstrated. Nonradiating modes, guided by the slab and responsible for the loss of convergence of the image functions, are considered and extracted. The theory allows, for example, an analysis of finite ground planes in microstrip antenna structures.

Lindell, I. V.↗
NASA NTRS1988

Exact image theory for the slab problem

Exact image theory, recently introduced for the exact solution of problems involving homogeneous half spaces and microstrip-like geometries, is developed here for the problem of homogeneous slab of isotropic dielectric and/or magnetic material in free space. Expressions for image sources, creating the exact reflected and transmitted fields, are given and their numerical evaluation is demonstrated. Nonradiating modes, guided by the slab and responsible for the loss of convergence of the image functions, are considered and extracted. The theory can be applied, for example, in an analysis of finite ground planes in microstrip antenna structures.

Lindell, I. V.↗
NASA NTRS1991

Analysis of laminated composite shells under internal pressure

A closed form solution is presented that predicts the response of filament wound composite shells subjected to internal pressure. The material of the shell is assumed to be general cylindrically anisotropic. Based on the theory of cylindrical anisotropic elasticity coupled differential equations are developed using Lekhnitskii's stress function approach. Two composite systems, graphite/epoxy and glass/epoxy, are selected to demonstrate the influence of degree of material anisotropy and fiber orientations on the axial and induced twisting deformation. Detailed stress distributions of (45) off-axis unidirectional and (45/-45)s symmetric angle-ply fiber-reinforced laminated shells are shown to illustrate the effect of radius-to-thickness ratio and stacking sequence.

Yuan, F. G.↗
NASA NTRS2010

Electrical Switching of Perovskite Thin-Film Resistors

Electronic devices that exploit electrical switching of physical properties of thin films of perovskite materials (especially colossal magnetoresistive materials) have been invented. Unlike some related prior devices, these devices function at room temperature and do not depend on externally applied magnetic fields. Devices of this type can be designed to function as sensors (exhibiting varying electrical resistance in response to varying temperature, magnetic field, electric field, and/or mechanical pressure) and as elements of electronic memories. The underlying principle is that the application of one or more short electrical pulse(s) can induce a reversible, irreversible, or partly reversible change in the electrical, thermal, mechanical, and magnetic properties of a thin perovskite film. The energy in the pulse must be large enough to induce the desired change but not so large as to destroy the film. Depending on the requirements of a specific application, the pulse(s) can have any of a large variety of waveforms (e.g., square, triangular, or sine) and be of positive, negative, or alternating polarity. In some applications, it could be necessary to use multiple pulses to induce successive incremental physical changes. In one class of applications, electrical pulses of suitable shapes, sizes, and polarities are applied to vary the detection sensitivities of sensors. Another class of applications arises in electronic circuits in which certain resistance values are required to be variable: Incorporating the affected resistors into devices of the present type makes it possible to control their resistances electrically over wide ranges, and the lifetimes of electrically variable resistors exceed those of conventional mechanically variable resistors. Another and potentially the most important class of applications is that of resistance-based nonvolatile-memory devices, such as a resistance random access memory (RRAM) described in the immediately following article, Electrically Variable Resistive Memory Devices (MFS-32511-1).

Liu, Shangqing↗
DOE OSTI2024

Underlying mechanism of structural transformation between GaSb and GaAs response to intense electronic excitation

Ion irradiation of semiconductors has emerged as a promising approach for fabricating self-organized nanosystems with high atomic precision, despite often being accompanied by undesirable phenomena. Exploring the mechanisms underlying structural transformations is crucial for assessing nanostructure array types under complex irradiation environments. By quantitatively calculating the thermodynamically driven processes and analyzing the impact of intrinsic structural parameters, distinct structural transformations in response to intense electronic excitation are systematically investigated in gallium antimonide (GaSb) and gallium arsenide (GaAs) systems. In high-energy regimes, the nanofibers layer of GaSb exhibits intriguing structural discrepancy, characterized by partial nanofibers with coherent boundaries, interspersed nanopores accompanied by antisite defects and Ga precipitates, distinguishing to a series of discontinuous latent tracks that emerged within cylindrical trajectories in GaAs. Furthermore, significant diffusion behaviors of the nanohillocks are discovered in GaAs, with higher average roughness than GaSb, driven by the gradient stress distribution influenced by the free-surface effects. The deposition energy for melting phase formation, Gibbs free energy, and Ga diffusion coefficients contribute to the distinctive structural features, evidencing relatively stable morphological configurations and higher irradiation resistance in GaAs. Consequently, special optoelectronic properties associated with structural discrepancies facilitate the design and optimization of material functionalities by irradiation technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Climate adaptation and sustainability in switchgrass: exploring plant-microbe-soil interactions across continental scale environmental gradients

Less carbon-intensive energy sources are needed to reduce greenhouse gas emissions and their predicted role in climate change. There is growing interest in the potential of biofuels for meeting this need. A critical question is whether large-scale biofuel production can be sustainable over the time scales needed to mitigate our carbon debt from fossil fuel consumption. The carbon balance and ultimately the sustainability of biofuel feedstock production is the result of complex climate-coupled interactions between carbon fixation, sequestration, and release through combustion. Similarly, the long-term productivity of biofuels depends on the environmental factors limiting plant growth. These factors are often related to soil resources which involve complex interactions at the plant-microbe-soil interface impacting their availability and cycling. Our collaborative project addressed sustainable switchgrass (Panicum virgatum) production by exploring Plant Systems, Plant-Microbiome Interactions, and Ecosystem Processes through the integrating lens of Multi-Scale Modeling. Our research was based on detailed characterization of genetically diverse switchgrass genotypes planted in common gardens across a continental latitudinal gradient. The underlying theme of our Plant Systems research was the use of locally adapted plant material to explore plant function, to understand the mechanistic basis of environmental interactions, and to discover the plant genes important for adaptation and sustainability in the face of climate change. Our Plant-Microbiome Interaction project characterized the microbial communities associated with switchgrass using genomic tools. Our Ecosystem Processes research focused on carbon cycle responses at the ecosystem level using stand level plantings. Finally, our Multi-Scale Modeling helped to define conditions of a sustainable biofuel system and identify key tradeoffs between genetic diversity, productivity, and ecosystem services. Genome-wide association analyses were used to identify alleles that contribute to successful establishment and biomass production across North America. Together, our work provided a baseline analyses of the potential of switchgrass as a biofuel feedstock. Our project resulted in a number of successful outcomes. First, we were successful in collecting switchgrass germplasm across the species range, propagating the material, and establishing common garden experiments across the species range. In collaboration with DOE JGI, we successfully assembled the first tetraploid switchgrass genome and published this resource with an analyses of the genetic basis local adaptation from our gardens (Lowry et al. 2019, Lovell et al. 2021). The gardens were used to characterize the genetic architecture for a number of important plant phenotypes. Our project also conducted extensive sampling and sequencing to characterize the bacterial and fungal associates of switchgrass roots and leaves. We showed that host genotype, location, and harvesting practices can play a role in microbiome assembly (Singer et al. 2019 & 2022, Van Wallendael et al. 2020 & 2022, Edwards et al. 2023). Our ecosystem processes work created baseline dataset of carbon and nutrient cycling in realistic stand plantings of switchgrass. Data from this experiment provided new insight into the role of plant traits, phenology, and local environments in ecosystem processes like soil respiration, net-ecosystem exchange, and dynamics of soil and plant nutrients (Ricketts et al. 2023). Finally, our crop modelling experiments help to characterize the sensitivity of common modeling frameworks to parameters, identify key limiters of productivity across large geographic scales, and leverage patterns of local adaptation in prediction. Ultimately, these studies help to identify critical plant-microbe-soil traits that may be manipulated, through breeding or agronomic management, to improve the sustainability of biofuel feedstocks.

09 BIOMASS FUELS↗
DOE OSTI2024

Rewritable Surface‐Grafted Polymer Brushes with Dynamic Covalent Linkages

Abstract Surface grafting of polymer brushes drastically modifies surface properties, including wettability, compatibility, responsiveness, etc. A broad variety of functionalities can be introduced to the surface via different types of polymers. Bringing together properties of two or more types of polymer brushes to one surface opens up even more possibilities in brush‐modified materials. However, while it is generally feasible to introduce several chemical compositions along the brushes via copolymerization, it is challenging to vary the types of polymer brushes along a surface. Although previous studies have demonstrated binary brushes via orthogonal polymerization techniques or partial deactivation/regrafting, they commonly limit the number of polymer types to two. Here, we propose a strategy to introduce dynamic covalent diketoenamine linkages at the root of polymer brushes. The grafting density could be precisely tuned during surface functionalization. The surface‐anchored polymer brushes were cleaved by the addition of small molecule amines. New polymer brushes can be regrafted from the surface following refunctionalization of exposed sites. The maneuverability allows tuning of the types and densities of the polymer brushes, pointing the way to the preparation of a new generation of well‐defined brush‐modified materials with mixed grafts, with potential applications in the design of smart materials and surfaces.

Cui, Feichen↗
NASA NTRS1975

A technique for constructing spectral reflectance curves from Viking lander camera multispectral data

A technique for evaluating the construction of spectral reflectance curves from multispectral data obtained with the Viking lander cameras is presented. The multispectral data is limited to 6 channels in the wave-length range 0.4 to 1.1 microns, and several of the channels suffer from appreciable out-of-band response. The technique represents the estimated reflectance curves as a linear combination of known basic functions with coefficients determined to minimize the error in the representation, and it permits all channels, with and without out-of-band response, to contribute equally valid information. The technique is evaluated for known spectral reflectance curves of 8 materials felt likely to be present on the Martian surface. The technique provides an essentially exact fit if the the reflectance curve has no pronounced maxima and minima. Even if the curve has pronounced maxima and minima, the fit is good and reveals the most dominant features. Since only 6 samples are available some short period features are lost. This loss is almost certainly due to undersampling rather than out-of-band channel response.

Park, S. K.↗
NASA NTRS2000

Thermal Analysis Methods for an Earth Entry Vehicle

Thermal analysis of a vehicle designed to return samples from another planet, such as the Earth Entry vehicle for the Mars Sample Return mission, presents several unique challenges. The Earth Entry Vehicle (EEV) must contain Martian material samples after they have been collected and protect them from the high heating rates of entry into the Earth's atmosphere. This requirement necessitates inclusion of detailed thermal analysis early in the design of the vehicle. This paper will describe the challenges and solutions for a preliminary thermal analysis of an Earth Entry Vehicle. The aeroheatina on the vehicle during entry would be the main driver for the thermal behavior. and is a complex function of time, spatial position on the vehicle, vehicle temperature, and trajectory parameters. Thus. the thermal analysis must be closely tied to the aeroheating analysis in order to make accurate predictions. Also, the thermal analysis must account for the material response of the ablative thermal protection system TPS. For the exo-atmospheric portion of the mission, the thermal analysis must include the orbital radiation fluxes on the surfaces. The thermal behavior must also be used to predict the structural response of the vehicle (the thermal stress and strains) and whether they remain within the capability of the materials. Thus, the thermal analysis requires ties to the three-dimensional geometry, the aeroheating analysis, the material response analysis, the orbital analysis. and the structural analysis. The goal of this paper is to describe to what degree that has been achieved.

Amundsen, Ruth M.↗
NASA NTRS2000

Thermal Analysis Methods For Earth Entry Vehicle

Thermal analysis of a vehicle designed to return samples from another planet, such as the Earth Entry vehicle for the Mars Sample Return mission, presents several unique challenges. The Earth Entry Vehicle (EEV) must contain Martian material samples after they have been collected and protect them from the high heating rates of entry into the Earth's atmosphere. This requirement necessitates inclusion of detailed thermal analysis early in the design of the vehicle. This paper will describe the challenges and solutions for a preliminary thermal analysis of an Earth Entry Vehicle. The aeroheating on the vehicle during entry would be the main driver for the thermal behavior, and is a complex function of time, spatial position on the vehicle, vehicle temperature, and trajectory parameters. Thus, the thermal analysis must be closely tied to the aeroheating analysis in order to make accurate predictions. Also, the thermal analysis must account for the material response of the ablative thermal protection system (TPS). For the exo-atmospheric portion of the mission, the thermal analysis must include the orbital radiation fluxes on the surfaces. The thermal behavior must also be used to predict the structural response of the vehicle (the thermal stress and strains) and whether they remain within the capability of the materials. Thus, the thermal analysis requires ties to the three-dimensional geometry, the aeroheating analysis, the material response analysis, the orbital analysis, and the structural analysis. The goal of this paper is to describe to what degree that has been achieved.

Amundsen, Ruth M.↗
NASA NTRS2002

Finite Element Modeling of Deployment, and Foam Rigidization of Struts and Quarter Scale Shooting Star Experiment

Inflated cylindrical struts constructed of kapton polyimide film and rigidized with foam have considerable practical application and potential for use as components of inflatable concentrator assemblies, antenna structures and space power systems, Because of their importance, it is of great interest to characterize the dynamic behavior of these components and structures both experimentally and analytically. It is very helpful to take a building-block approach to modeling and understanding inflatable assemblies by first investigating in detail the behavior of the components such as the struts. The foam material used for rigidization of such cylinders has varying modulus, which is a function of different factors, such as density of the foam. Thus, the primary motivation of the tests and analytical modeling efforts was to determine and understand the response of foam-rigidized cylinders for different densities, sizes, and construction methods. In recent years, inflatable structures have been the subject of renewed interest for space applications such as communications antennae, solar thermal propulsion, and space solar power. A major advantage of using inflatable structures in space is that they are extremely lightweight. This makes inflatables a perfect match for solar thermal propulsion because of the low thrust levels available. An obvious second advantage is on-orbit deployability and subsequent space savings in launch configuration. It can be seen that inflatable cylindrical struts and torus are critical components of structural assemblies. In view of this importance, structural dynamic and static behaviors of typical rigidized polyimide struts are investigated in this paper. The paper will focus on the finite element models that were used to model the behavior of the complete solar collector structure, and the results that they provided, as compared to test data.

Larry Leigh, Jr.↗
NASA NTRS2008

Progress in Development of Improved Ion-Channel Biosensors

Further improvements have recently been made in the development of the devices described in Improved Ion-Channel Biosensors (NPO-30710), NASA Tech Briefs, Vol. 28, No. 10 (October 2004), page 30. As discussed in more detail in that article, these sensors offer advantages of greater stability, greater lifetime, and individual electrical addressability, relative to prior ion-channel biosensors. In order to give meaning to a brief description of the recent improvements, it is necessary to recapitulate a substantial portion of the text of the cited previous article. The figure depicts one sensor that incorporates the recent improvements, and can be helpful in understanding the recapitulated text, which follows: These sensors are microfabricated from silicon and other materials compatible with silicon. Typically, the sensors are fabricated in arrays in silicon wafers on glass plates. Each sensor in the array can be individually electrically addressed, without interference with its neighbors. Each sensor includes a well covered by a thin layer of silicon nitride, in which is made a pinhole for the formation of a lipid bilayer membrane. In one stage of fabrication, the lower half of the well is filled with agarose, which is allowed to harden. Then the upper half of the well is filled with a liquid electrolyte (which thereafter remains liquid) and a lipid bilayer is painted over the pinhole. The liquid contains a protein that forms an ion channel on top of the hardened agarose. The combination of enclosure in the well and support by the hardened agarose provides the stability needed to keep the membrane functional for times as long as days or even weeks. An electrode above the well, another electrode below the well, and all the materials between the electrodes together constitute a capacitor. What is measured is the capacitive transient current in response to an applied voltage pulse. One notable feature of this sensor, in comparison with prior such sensors, is a relatively thick dielectric layer between the top of the well and the top electrode. This layer greatly reduces the capacitance of an aperture across which the ion channels are formed, thereby increasing the signal-to-noise ratio. The use of a relatively large aperture with agarose support makes it possible to form many ion channels instead of only one, thereby further increasing the signal-to-noise ratio and effectively increasing the size of the available ionic reservoir. The relatively large reservoir makes it possible to measure AC rather than DC. This concludes the recapitulation from the cited previous article.

Nadeau, Jay L.↗
NASA NTRS2011

Atomic Oxygen Fluence Monitor

This innovation enables a means for actively measuring atomic oxygen fluence (accumulated atoms of atomic oxygen per area) that has impinged upon spacecraft surfaces. Telemetered data from the device provides spacecraft designers, researchers, and mission managers with real-time measurement of atomic oxygen fluence, which is useful for prediction of the durability of spacecraft materials and components. The innovation is a compact fluence measuring device that allows in-space measurement and transmittance of measured atomic oxygen fluence as a function of time based on atomic oxygen erosion yields (the erosion yield of a material is the volume of material that is oxidized per incident oxygen atom) of materials that have been measured in low Earth orbit. It has a linear electrical response to atomic oxygen fluence, and is capable of measuring high atomic oxygen fluences (up to >10(exp 22) atoms/sq cm), which are representative of multi-year low-Earth orbital missions (such as the International Space Station). The durability or remaining structural lifetime of solar arrays that consist of polymer blankets on which the solar cells are attached can be predicted if one knows the atomic oxygen fluence that the solar array blanket has been exposed to. In addition, numerous organizations that launch space experiments into low-Earth orbit want to know the accumulated atomic oxygen fluence that their materials or components have been exposed to. The device is based on the erosion yield of pyrolytic graphite. It uses two 12deg inclined wedges of graphite that are over a grit-blasted fused silica window covering a photodiode. As the wedges erode, a greater area of solar illumination reaches the photodiode. A reference photodiode is also used that receives unobstructed solar illumination and is oriented in the same direction as the pyrolytic graphite covered photodiode. The short-circuit current from the photodiodes is measured and either sent to an onboard data logger, or transmitted to a receiving station on Earth. By comparison of the short-circuit currents from the fluence-measuring photodiode and the reference photodiode, one can compute the accumulated atomic oxygen fluence arriving in the direction that the fluence monitor is pointing. The device produces a signal that is linear with atomic oxygen fluence using a material whose atomic oxygen erosion yield has been measured over a period of several years in low-Earth orbit.

Banks, Bruce A.↗
NASA NTRS2013

Unit-Sphere Anisotropic Multiaxial Stochastic-Strength Model Probability Density Distribution for the Orientation of Critical Flaws

Models that predict the failure probability of monolithic glass and ceramic components under multiaxial loading have been developed by authors such as Batdorf, Evans, and Matsuo. These "unit-sphere" failure models assume that the strength-controlling flaws are randomly oriented, noninteracting planar microcracks of specified geometry but of variable size. This report develops a formulation to describe the probability density distribution of the orientation of critical strength-controlling flaws that results from an applied load. This distribution is a function of the multiaxial stress state, the shear sensitivity of the flaws, the Weibull modulus, and the strength anisotropy. Examples are provided showing the predicted response on the unit sphere for various stress states for isotropic and transversely isotropic (anisotropic) materials--including the most probable orientation of critical flaws for offset uniaxial loads with strength anisotropy. The author anticipates that this information could be used to determine anisotropic stiffness degradation or anisotropic damage evolution for individual brittle (or quasi-brittle) composite material constituents within finite element or micromechanics-based software

Nemeth, Noel↗
DOE OSTI2024

Overview of Quantum Sensing Materials and Techniques for Energy Sector Applications

The energy sector has become increasingly dependent upon highly sensitive sensing devices for a wide range of applications. Variables such as temperature, pH, electromagnetic fields, ions, and pressure must be measured with high precision, often in harsh conditions (e.g. highly corrosive environments due to high temperature, pressure and humidity). These sensors are deployed in infrastructure such as transformers, pipelines, mines, nuclear power plants, and other areas to ensure safe operating conditions and uninterrupted, optimized service. Moreover, new opportunities for sensors have emerged due to the expansion of smart grids/meters, driverless vehicles, and the discovery of new oil, gas, and critical mineral deposits. The continued maturation of quantum sensing technologies offers exciting opportunities for quantum-enhanced measurements within the energy sector that may provide significant improvements in sensitivity beyond the classical limit. Here, an overview of established and emerging quantum materials for sensing applications will be provided, from trapped ions to color centers in diamond and silicon carbide. Associated quantum sensing methods for these materials will be discussed, with an emphasis on platforms that are nearing commercial viability. Specific application opportunities within the energy sector for quantum sensors will then be analyzed, including oil/gas discovery, greenhouse gas emission monitoring, pH and ion sensing, current measurement in electric vehicle batteries, and quantum-enhanced spectroscopy. Remaining barriers, such as quantum sensor platform miniaturization and ruggedization, will also be analyzed. A specific project at the National Energy Technology Laboratory involving the functionalization of qubits using metal-organic frameworks for enhanced quantum sensing will also be highlighted. Here, nitrogen vacancy centers (NV) in nanodiamonds, a commercially available qubit with long coherence times and utilizable quantum properties at room temperature, are encapsulated in a controlled way using the metal-organic framework ZIF-8. The ZIF-8 provides a well-defined, porous scaffold that can be controlled to promote the selective uptake of specific target analytes, such as gas molecules or ions. The quantum sensing performance of this composite material is either preserved or enhanced following ZIF-8 encapsulation; the optically detected magnetic resonance response of the NV nanodiamonds with and without the ZIF-8 coating are identical, while the ZIF-8 coating increases the longitudinal spin relaxation lifetime (T1) of the NV centers, an important parameter for spin relaxometry-based quantum sensing experiments. Taken together, these results demonstrate the importance of qubit functionalization as a crucial step for rationally designing high performance quantum sensors.

Crawford, Scott↗
DOE OSTI2020

Time-resolved in situ visualization of the structural response of zeolites during catalysis

Zeolites form an important class of materials that are widely used in various fields. Their unique properties come primarily from their size, shape, and connectivity of their sub-nm crystalline voids, the Si/Al ratio of the anionic framework, and the number and the nature of charge-balancing cations.The inhomogeneous distribution of the Si/Al ratio within crystals, and hence the cation density, the presence of organic residues, and their inhomogeneous distribution within crystals sensitively affect their performances because these factors influencethe intra-crystalline diffusion rates of the reactants and products. However, the information regarding these inhomogeneities in zeolite crystals cannot be obtained by conventional analytical tools because they only provide information regardingthe average properties of zeolite crystals. Here we employin situX-ray free electron laser-based time-resolved coherent X-ray diffraction imaging to investigate the internal deformations originating from the inhomogeneous Cu ion distributions in Cu-exchanged ZSM-5 zeolite crystals during the deoxygenation of nitrogen oxides with propene. We show that the interactions between the reactants and the active sites lead to an unusual strain distribution,which is confirmed by density functional theory simulations. Moreover, this elucidates the factors responsible for distinct active regions,which are essential to maximizing some applications with enhanced performances. These observations provide insights into the role of structural inhomogeneity in zeolites during a catalytic processand will assist the future design of zeolites for their applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Chemical Interpretation of Charged Point Defects in Semiconductors: A Case Study of Mg 2 Si

The electronic structures of charged point defects influence electrical and optical properties of semiconductors. Understanding the orbital interactions responsible for the electronic structures of defects therefore promotes a chemical intuition for defect-driven mechanisms in semiconductors. In this tutorial, we discuss a molecular orbital theory-based framework for understanding defect-induced electronic states based on local chemical interactions between the defect and the atoms surrounding the defect site. By using Mg 2 Si as a case study, we show how both the chemical interactions and molecular orbitals (i. e., wave functions) responsible for the charge state(s) of a defect can be understood from the bonding symmetry of the defect site. We anticipate that a chemistry-based perspective of charged defects will enrich defect engineering efforts for electronic and optical materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hierarchical Materials from High Information Content Macromolecular Building Blocks: Construction, Dynamic Interventions, and Prediction

Hierarchical materials that exhibit order over multiple length scales are ubiquitous in nature. Because hierarchy gives rise to unique properties and functions, many have sought inspiration from nature when designing and fabricating hierarchical matter. More and more, however, nature’s own high-information content building blocks, proteins, peptides, and peptidomimetics, are being coopted to build hierarchy because the information that determines structure, function, and interfacial interactions can be readily encoded in these versatile macromolecules. Here, we take stock of recent progress in the rational design and characterization of hierarchical materials produced from high-information content blocks with a focus on stimuli-responsive and “smart” architectures. We also review advances in the use of computational simulations and data-driven predictions to shed light on how the side chain chemistry and conformational flexibility of macromolecular blocks drive the emergence of order and the acquisition of hierarchy and also on how ionic, solvent, and surface effects influence the outcomes of assembly. Furthermore, continued progress in the above areas will ultimately usher in an era where an understanding of designed interactions, surface effects, and solution conditions can be harnessed to achieve predictive materials synthesis across scale and drive emergent phenomena in the self-assembly and reconfiguration of high-information content building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗