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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Building epsilon near zero materials from layered uniaxial metamaterials

Recently, there has been an explosion of activity in the fields of optics and photonics with the advent of fabrication techniques which enable the design of metamaterials which possess properties not encountered in the natural world. In this work, we are concerned with zero permittivity materials and a new scheme to design metamaterials for which all components of the dielectric tensor are approximately zero. Our approach involves the alternate layering of many, very thin, slices of two constituent metamaterials, a uniaxial layered medium and a uniaxial nanowire array. With a simple optimization strategy we demonstrate a candidate configuration which very nearly satisfies our design goal of zero permittivity.

Gray, Stephen K. [Argonne National Laboratory (ANL↗
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↗
DOE OSTI2022

Self‐Trapped and Free Exciton Dynamics in Vacuum‐Deposited Cesium Copper Iodide Thin Films

Abstract Highly photoluminescent, lead‐free perovskites are of interest for displays and solid‐state light‐emitting devices. In this report, streak camera‐based time‐resolved emission and transient absorption spanning visible to deep‐ultraviolet (UV) wavelengths are utilized to study self‐trapped and free exciton dynamics in vacuum‐deposited cesium copper halide thin films of CsCu 2 I 3 and Cs 3 Cu 2 I 5 . Self‐trapped exciton emission of CsCu 2 I 3 exhibits more noticeable changes with time in the peak position and width than Cs 3 Cu 2 I 5 . UV‐to‐blue emission is detectable for both compositions, where free exciton emission is distinct for CsCu 2 I 3 . Transient absorption shows loss of ground‐state bleach signals at early time delays for both, and the bleach signal shifts toward higher energy as time delay increases, likely due to strains induced by the newly created self‐trapped excitons. Global analysis performed on the transient absorption results yields time constants in these materials that build an overall dynamic scheme. This work aids in building a complete picture regarding light emission in these promising materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Enhancement of phase change material hysteresis model: A case study of modeling building envelope in EnergyPlus

Nowadays, buildings are expected to offer demand side services to the power grid to enhance the electrical load flexibility, which leads to the concepts of grid-interactive efficient buildings (GEBs). Phase change material (PCM)-based thermal energy storage has seen increasing attention in recent years for peak load shifting of grid-interactive efficient buildings (GEBs). Numerical models are critical tools for design and evaluation of PCM-integrated systems. Most industrial-grade PCMs are reported to melt/freeze over a temperature range instead of at a unique temperature. Such thermal hysteresis effect significantly affects the reliability of simulation results because not only the heat transfer process depends on melting and freezing temperatures, the PCM thermal properties change significantly during the phase change process as well. This study is aimed to develop a model for the PCMs used in the building envelope with the capability to accurately simulate hysteretic behaviors. Further, this model is based on a two-phase assumption and is implemented in a whole building energy performance simulation program (i.e., EnergyPlus). A comparison between numerical results and experimental data shows that during a complete phase transition, the two-phase model could achieve a good agreement with the experimental data. During a partial phase transition, the two-phase model could lead to significant improvements compared to other alternative PCM models, including the existing PCM model in EnergyPlus. Last, whole building simulations were performed to study this model's performance regarding heating/cooling loads and zone mean air temperature of a given building. The results show that the difference in hourly heating/cooling loads introduced by the models was less than 1% in design conditions, while significant changes were observed in both hourly heating/cooling loads and zone mean air temperature when the PCM envelope underwent partial phase transition processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Wood template-supported phase change material composites for durable and form-stable thermal energy storage in buildings

Here, to reduce and shift peak energy loads in buildings, phase change materials (PCMs) with high transition enthalpies and transition temperatures near human thermal comfort are desirable for thermal energy storage (TES). Traditional solid/liquid PCMs suffer from leakage during thermal cycling, requiring encapsulation that lowers heat storage capacity. Wood templates (WTs), with porous and hierarchical structures, provide natural encapsulation scaffolds for PCM containment. Polyethylene glycol (PEG) is a compatible PCM with WTs, but when infiltrated alone, ~30 wt% of PEG binds to wood with no detectable phase change, limiting TES efficiency. To address this, we developed a method to (1) improve the form stability of balsa and pine-based composites (BWT + PCMs and PWT + PCMs) and (2) reduce inactive PCM within the composites to ~10 wt%. BWT + PCMs exhibit transition properties upwards of 114.2 J/g at 25.4 degrees C, with no degradation after 1000 thermal cycles, and similar stiffness compared to raw balsa. Meanwhile, PWT + PCMs exhibit 25 % higher storage efficiency with the addition of poly(ethylene glycol) diacrylate compared to solely PEG-infiltrated PWT. PWT + PCM retains 84 % of raw pine's mechanical stiffness, sufficient for light-duty construction. Our shape-stabilized WT + PCM composites enrich the functionality of wood materials as both ideal TES material candidates and light-duty building construction applications.

25 ENERGY STORAGE↗
DOE OSTI2025

Energy performance of an operational government building retrofitted with ceiling phase change material tiles in a mixed-humid climate

The aging U.S. building stock requires various retrofit measures to enhance their energy efficiency. Here, this study explores the integration of thermal energy storage and advanced building controls as viable retrofit solutions for load flexibility and peak demand response while maintaining the occupants' comfort. A detailed assessment is conducted on the energy use of an administrative building in Sumner County, Kansas, focusing on the implementation of phase change materials (PCMs) in the ceiling of occupied zones. First, a time-resolved, whole-building energy model is developed in EnergyPlus, incorporating complex thermal behaviors such as air exchange between the plenum space and occupied zones, envelope leakage, and operational schedules. The model is then validated using experimental field test data, and subsequently a parametric assessment of key PCM properties and application strategies is performed to evaluate cooling electricity demand benefits. The parametric study shows that the optimal retrofit strategy, comprising a PCM with 23°C peak melting temperature, 0.125 in. (3.17 mm) thickness, and 150 kJ/kg latent heat, combined with active controls that include 8 h of precooling, forced convection under the ceiling, and a 2°C thermostat setback during peak hours, can result in a maximum load shift during the peak period of 99.6 % and the total electricity savings during the peak period of 98.9 % for the optimum case and thus provide significant cost savings under time-of-use pricing scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Toward the Practical Use of Cobalt-Free Lithium-Ion Batteries by an Advanced Ether-Based Electrolyte

The criticality of cobalt (Co) has been motivating the quest for Co-free positive electrode materials for building lithium (Li)-ion batteries. However, the Co-free positive electrode materials usually suffer from relatively fast capacity decay when coupled with conventional LiPF 6 -organocarbonates electrolytes. To address this issue, a 1,2-dimethoxyethane (DME) based localized high concentration electrolyte (LHCE) was developed and evaluated in a Co-free Li-ion cell chemistry (Graphite||LiNi 0.96 Mg 0.02 Ti 0.02 O 2 ). Extraordinary capacity retentions were achieved with the LHCE in coin cells (95.3%), single layer pouch cells (79.4%) and high capacity loading double layer pouch cells (70.9 %) after being operated within the voltage range of 2.5-4.4 V for 500 charge/discharge cycles. The capacity retentions of counterpart cells using LiPF6 based conventional electrolyte only reached 61.1%, 57.2% and 59.8%, respectively. Mechanistic studies reveal that the superior electrode/electrolyte interphases formed by the LHCE and the intrinsic chemical stability of the LHCE account for the excellent electrochemical performance in the Co-free Li-ion cells.

25 ENERGY STORAGE↗
DOE OSTI2020

Fundamental Needs for Dynamic and Interactive Thermal Storage Solutions for Buildings (2019 Workshop)

The 2019 Workshop on Fundamental Needs for Dynamic and Interactive Thermal Storage Solutions for Buildings was held at Lawrence Berkeley National Laboratory (LBNL) in Berkeley, California, on November 19–20, 2019. The workshop convened 47 individuals involved in thermal, building, and materials science to present and discuss the use of thermal energy storage (TES) associated with buildings. The goals of the event were to revisit recent breakthroughs and identify future research opportunities in scientific areas.

25 ENERGY STORAGE↗
DOE OSTI2020

Tuning the Morphology and Electronic Properties of Single-Crystal LiNi 0.5 Mn 1.5 O 4-δ : Exploring the Influence of LiCl–KCl Molten Salt Flux Composition and Synthesis Temperature

Single-crystal materials have played a unique role in the development of high-performance cathode materials for Li batteries due to their favorable chemomechanical stability. The molten salt synthesis method has become one of the most prominent techniques used to synthesize single-crystal layered and spinel materials. In this work, the molten salt synthesis method is used as a technique to tune both the morphology and Mn 3+ content of high-voltage LiNi 0.5 Mn 1.5 O 4 (LNMO) cathodes. The resulting materials are thoroughly characterized by a suite of analytical techniques, including synchrotron X-ray core-level spectroscopy, which are sensitive to the material properties on multiple length scales. Furthermore, the multidimensional characterization allows us to build a materials library according to the molten salt phase diagram as well as to establish the relationship among synthesis, material properties, and battery performance. The results of this work show that the Mn 3+ content is primarily dependent on the synthesis temperature and increases as the temperature is increased. Additionally, the particle morphology is mostly dependent on the composition of the molten salt flux, which can be tailored to obtain well-defined octahedrons enclosed by (111) facets, plates with predominant ($11\tilde{2}$) facets, irregularly shaped particles, or mixtures of these. The electrochemical measurements indicate that the Mn 3+ content has a larger contribution to the battery performance of LNMO than do morphological characteristics and that a significant amount of Mn 3+ could become detrimental to the battery performance. However, with similar Mn 3+ contents, morphology still plays a role in influencing the battery cycle life and rate performance. The insights of molten salt synthesis parameters on the formation of LNMO, with deconvolution of the roles of Mn 3+ and morphology, are crucial to continuing studies in the rational design of LNMO cathode materials for high-energy Li batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effect of rice husk ash-derived activator on the structural build-up of alkali activated materials

Highlights: • Filtered and unfiltered sodium silicate solutions were synthesised from RHA. • The dissolution efficiency of RHA in NaOH solution was 76.3%. • RHA-derived activator showed a structural build-up comparable to the commercial activator in AAM pastes. • The undissolved residues in the unfiltered RHA-derived activator increased the yield stress. • Comparable compressive strength and early age gel formation were observed from both commercial and RHA-derived solutions. Waste-derived sodium silicates (SSs) were synthesised from rice husk ash (RHA) to produce alkali activated materials (AAMs) using fly ash and slag as precursors. The effects of these SSs on the structural build-up were investigated by monitoring the evolution of the viscoelasticity, ultrasonic pulse waves, setting time, and infrared spectra. Two types of RHA derived SSs (filtered SS and unfiltered SS) were prepared to investigate the effect of the undissolved residue on the hardening process. The derived SS contained a large portion of monomer silicate species. The results showed that the structural build-up mechanism was comparable between the AAMs activated by the filtered SS and a commercial SS. The unfiltered SS increased the yield stress of the paste by up to 10 times. However, the residues in the unfiltered SS had insignificant impacts on the gel formation and compressive strength when using identical SiO{sub 2}/Na{sub 2}O and Na{sub 2}O/binder ratios in the mix design.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Surface and bulk two-level-system losses in lithium niobate acoustic resonators

Lithium niobate (LN) is a promising material for building acoustic resonators used in quantum applications, but its performance is limited by poorly understood material defects called two-level systems (TLSs). Here, in this work, we fabricate high-performance acoustic resonators from LN with quality factors up to 6 ×10 7 and use them to separate bulk and surface contributions to TLS loss. By comparing these bulk acoustic wave (BAW) resonators with previous surface-acoustic-wave and phononic-crystal studies, we show that devices with high surface-participation ratios are limited by surface TLSs, while our BAW devices reveal an intrinsic bulk TLS limit. Through systematic surface treatments and microscopy, we demonstrate that BAW resonator performance remains unchanged despite surface modifications, confirming operation in a bulk-limited regime. Here, our work establishes quantitative bounds on both surface and bulk TLS losses in LN within the context of the material growth and fabrication approaches we have pursued, and it provides guidance for future device engineering and materials development.

acoustic wave phenomena↗
DOE OSTI2020

LAN: A Materials Notation for Two-Dimensional Layered Assemblies

Two-dimensional (2D) layered materials offer intriguing possibilities for novel physics and applications. Before any attempt at exploring the materials space in a systematic fashion, or combining insights from theory, computation, and experiment, a formal description of information about an assembly of arbitrary composition is required. Here, we introduce a domain-generic notation that is used to describe the space of 2D layered materials from monolayers to twisted assemblies of arbitrary composition, existent or not yet fabricated. The notation corresponds to a theoretical materials concept of stepwise assembly of layered structures using a sequence of rotation, vertical stacking, and other operations on individual 2D layers. Its scope is demonstrated with several example structures using common single-layer materials as building blocks. This work overall aims to contribute to the systematic codification, capture, and transfer of materials knowledge in the area of 2D layered materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

PCM Selection for Heat Pump Integrated with Thermal Energy Storage for Demand Response in Residential Buildings

Phase Change Materials (PCM) based Thermal energy storage (TES) is a widespread solution to shift buildings’ peak energy demand and add stability to the grid. PCMs can be used for space heating and cooling applications in residential buildings by integrating into the heat pump equipment or building envelope via several possible configurations. The heat pump integrated active PCM storage can provide significant energy savings and reduce peak demand, but the benefits vary substantially depending on the system configuration, storage capacity, and the temperature range of the PCM used. It is critical to provide a review of the materials and their suitability in heat pump integrated PCM systems. This paper will present an analysis of the PCM material selection for heat pump integrated TES in various configurations. The comprehensive review will compare the phase change materials with different melting temperatures, and configurations, corresponding to the energy savings and demand impact reported in the literature. This work is significant to guide the design of high-performance heat pump integrated PCM systems.

Sultan, Sara↗
DOE OSTI2024

Iron-rich permanent magnet

The disclosure is directed to an iron-nitride material having a polycrystalline microstructure including a plurality of elongated crystallographic grains with grain boundaries, the iron-nitride material including at least one of an α″-Fe16N2 phase and a body-center-tetragonal (bct) phase comprising Fe and N. The disclosure is also directed a method producing an iron-nitride material. The method includes some combinations of preparing a raw material comprising iron, carrying out a microstructure build-up by annealing the prepared raw material at an elevated temperature and subsequently quenching the prepared raw material to produce a microstructure build-up material, annealing the microstructure build-up material, reducing the microstructure build-up material in a hydrogen environment, nitriding the reduced material to produce a nitrided material and subsequently quenching the nitrided material to a martensitic transformation temperature, stress annealing the nitrided material, and magnetic field annealing the stress-annealed material.

Wang, Jian-Ping↗
DOE OSTI2024

Embodied Carbon Reduction in New Construction: Reference Guide

The U.S. Department of Energy launched the Advanced Building Construction (ABC) Initiative in 2019 to modernize and streamline building renovation and construction processes that facilitate the integration of high-performance and low-carbon solutions in the U.S. building stock. There are four attributes of ABC that are the focus of the Initiative: affordable, fast, appealing, and low carbon. Substantial improvements have been made to reduce operational carbon emissions of buildings through efficiency and electrification. However, to achieve low-carbon new construction buildings, increased efforts to reduce the embodied carbon of buildings are needed. Embodied carbon emissions in buildings come primarily from the manufacturing of building envelope materials such as concrete, steel, lumber, and glass, among others. Recent studies show that construction and renovation of buildings account for 5% of energy use and 10% of carbon emissions globally.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Three-dimensional printing of wood

Natural wood has served as a foundational material for buildings, furniture, and architectural structures for millennia, typically shaped through subtractive manufacturing techniques. However, this process often generates substantial wood waste, leading to material inefficiency and increased production costs. A potential opportunity arises if complex wood structures can be created through additive processes. Here, we demonstrate an additive-free, water-based ink made of lignin and cellulose, the primary building blocks of natural wood, that can be used to three-dimensional (3D) print architecturally designed wood structures via direct ink writing. The resulting printed structures, after heat treatment, closely resemble the visual, textural, olfactory, and macro-anisotropic properties, including mechanical properties, of natural wood. Our results pave the way for 3D-printed wooden construction with a sustainable pathway to upcycle/recycle natural wood.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Scoping Study to Develop a Computational Fluid Dynamics Based Model to Predict Radiological Materials Packaging Temperatures within a Generic Staging Building

The objective of this work is to perform computational fluid dynamics simulations of a ventilated radiological-material-package staging building to determine the effect of including or excluding a variety of physical effects and computational methods on both the predicted package temperatures and required computational resources. The generic building contains 640 drum-packages containing heat-generating, radiological material supported on four racks that are eight levels tall. Additionally, there is a forced ventilation system, lighting, and insulated walls. Computational models were constructed that included or excluded (a) shelving, (b) effects of unsteadiness, and (c) radiation heat transfer. Simulations with each drum modeled separately were compared to simpler simulations with sets of four drums represented by an equivalent box-package. These models employed between 106 to 107 elements. Steady state simulations predicted package temperatures that were within 0.1°C of simulations that included transient effects and required only one-eighth the computational resources. Calculations that excluded shelving predicted temperatures within 0.6°C of simulations that included shelving and required one-fourth the computational resources. Excluding radiation heat transfer systematically increased temperatures by around 1.5°C but reduced computational resources by a factor of four. The box-package model reduced the computational resources by a factor of 3, but systematically predicted higher temperatures by around 1.1°C. These results will be used to develop an efficient computational fluid dynamics model to assess the ability of different staging building designs to prevent the temperature of package components from exceeding specified limits.

42 ENGINEERING↗