Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Material”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Ultra-low thermal conductivities of hot-pressed attapulgite and its potential as thermal insulation material

In the past, there have been very few reports on thermal properties of attapulgite which is a widely used clay mineral. In this work, we report on extremely low thermal conductivities in attapulgite samples synthesized by hot-pressing. Attapulgite powder was hot-pressed at different temperatures into bulk samples, and a systematic study was conducted on the microstructures and thermal properties. Differential scanning calorimetry analysis shows that hot-pressing induces a rapid dehydration of the attapulgite powders. X-ray diffraction data and scanning/transmission electron microscopy reveal that the hot-pressed attapulgite features high porosity and complex microstructures, including an amorphous phase. As a result, the hot-pressed attapulgite exhibits thermal conductivity less than 2.5Wm -1 K -1 up to 600 °C. For one sample with porosity of 45.7%, the thermal conductivity is as low as 0.34Wm -1 K -1 at 50 °C. Finally, this suggests the potential of hotpressed attapulgite as a candidate for thermal barrier materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Supramolecular Metallopolymers: From Linear Materials to Infinite Networks

The fields of coordination polymers (CPs) and supramolecular metallopolymers (SMPs) have been extensively studied for decades. Spectacular recent advances in both fields have created new compounds that lie at the interface between these two classes of organic-inorganic hybrid materials. At this interface, materials based on molecular weaving, supramolecular clusters, and metal-organic framework-polymer hybrids have emerged. This minireview provides a perspective on the intellectual emergence and connection between different supramolecular constructs and the state of the art with respect to this new materials interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Advances in the Application of Lasers in Materials Science, Chapter 5, Insights into Laser-Materials Interaction Through Modeling on Atomic and Macroscopic Scales

Computer simulations and theoretical analysis of laser-materials interactions are playing an increasingly important role in the advancement of modern laser technologies and broadening the range of laser applications. In this chapter, we first provide an overview of the current understanding of the laser coupling and transient variation of optical properties in metals, semiconductors and dielectrics, with the focus on the practical implications on the energy deposition and distribution in the irradiated targets. The continuum-level modeling of the dynamic evolution of laser-induced stresses, nonequilibrium phase transformations, and material redistribution within the laser spot are then discussed, and the need for the physical insights into the mechanisms and kinetics of highly nonequilibrium processes triggered by the laser excitation is highlighted. The physical insights can be provided by atomistic modeling, and several examples are discussed where large-scale molecular dynamics simulations are used for investigation of the mechanisms of the generation of crystal defects (vacancies, interstitials, dislocations, and twin boundaries) and the material redistribution responsible for the formation of laser-induced periodic surface structures in the single-pulse ablative regime. The need for the integrated computational approach fully accounting for the strong coupling between processes occurring at different time- and length-scales is highlighted.

Shugaev, Maxim V.↗
DOE OSTI2017

LiMnPO4·Li3V2(PO4)3 composite cathode material derived from Mn(VO3)2 nanosheet precursor

The LiMnPO4·Li3V2(PO4)3/C composite cathode material was synthesized from Mn(VO3)2 nanosheet precursor, which was prepared by a hydrothermal method. The structure and morphology of the composite were systematically investigated by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscope (TEM) and scanning transmission electron microscopy (STEM), etc. The LiMnPO4·Li3V2(PO4)3/C composite material exhibits a low polarization and high specific capacity of 150.7 mAh g-1 at 0.1C in voltage range of 2.5–4.5V, and excellent cycle and rate performance for its stable nanocomposite framework. The composite material dominantly exists in the morphological shape of nanograins and nanorods, which increases the surface area and hence facilitate the electrolyte penetration. The nanoparticle components were even further identified in detail.

Lei, Zhihong↗
DOE OSTI2016

Hydrothermal synthesis for new multifunctional materials: A few examples of phosphates and phosphonate-based hybrid materials

Novel physical or chemical properties are expected in a great variety of materials, in connection with the dimensionality of their structures and/or with their nanostructures, hierarchical superstructures etc. In the search of new advanced materials, the hydrothermal technique plays a crucial role, mimicking the nature able to produce fractal, hyperbranched, urchin-like or snow flake structures. In this short review including new results, this will be illustrated by examples selected in two types of materials, phosphates and phosphonates, prepared by this method. The importance of the synthesis parameters will be highlighted for a magnetic iron based phosphates and for hybrids containing phosphonates organic building units crystallizing in different structural types. - Graphical abstract: Phosphate dendrite like and phosphonate platelet crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Insight into the Atomic Structure of High-Voltage Spinel LiNi 0.5 Mn 1.5 O 4 Cathode Material in the First Cycle

Application of high-voltage spinel LiNi 0.5 Mn 1.5 O 4 cathode material is the closest and the most realistic approach to meeting the midterm goal of lithium-ion batteries for electric vehicles (EVs) and plug-in hybrid electric vehicles (HEVs). However, this application has been hampered by long-standing issues, such as capacity degradation and poor first-cycle Coulombic efficiency of LiNi 0.5 Mn 1.5 O 4 cathode material. Although it is well-known that the structure of LiNi 0.5 Mn 1.5 O 4 into which Li ions are reversibly intercalated plays a critical role in the above issues, performance degradation related to structural changes, particularly in the first cycle, are not fully understood. Here, we report detailed investigations of local atomic-level and average structure of LiNi 0.5 Mn 1.5 O 4 during first cycle (3.5–4.9 V) at room temperature. We observed two types of local atomic-level migration of transition metals (TM) ions in the cathode of a well-prepared LiNi 0.5 Mn 1.5 O 4 //Li half-cell during first charge via an aberration-corrected scanning transmission electron microscopy (STEM). Surface regions (~2 nm) of the cycled LiNi 0.5 Mn 1.5 O 4 particles show migration of TM ions into tetrahedral Li sites to form a Mn 3 O 4 -like structure. However, subsurface regions of the cycled particles exhibit migration of TM ions into empty octahedral sites to form a rocksalt-like structure. The migration of these TM ions are closely related to dissolution of Ni/Mn ions and building-up of charge transfer impedance, which contribute significantly to the capacity degradation and the poor first-cycle Coulombic efficiency of spinel LiNi 0.5 Mn 1.5 O 4 cathode material. Accordingly, we provide suggestions of effective stabilization of LiNi 0.5 Mn 1.5 O 4 structure to obtain better electrochemical performance.

25 ENERGY STORAGE↗
DOE OSTI2017

Transitioning Rationally Designed Catalytic Materials to Real 'Working' Catalysts Produced at Commercial Scale: Nanoparticle Materials

Catalyst design, from idea to commercialization, requires multi-disciplinary scientific and engineering research and development over 10-20 year time periods. Historically, the identification of new or improved catalyst materials has largely been an empirical trial-and-error process. However, advances in computational capabilities (new tools and increased processing power) coupled with new synthetic techniques have started to yield rationally-designed catalysts with controlled nano-structures and tailored properties. This technological advancement represents an opportunity to accelerate the catalyst development timeline and to deliver new materials that outperform existing industrial catalysts or enable new applications, once a number of unique challenges associated with the scale-up of nano-structured materials are overcome.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Isoreticular expansion of polyMOFs achieves high surface area materials

The concept of isoreticular chemistry has become a core principle in metal–organic framework (MOF) materials. Isoreticular chemistry has shown that organic ligands of different sizes, but with a common geometry/symmetry can be used to generate MOFs of related topologies, but with expanded pore sizes and volumes. In this study, polymer–MOF hybrid materials (polyMOFs) with a UiO (UiO = University of Oslo) architecture are shown to adhere to the principle of isoreticular expansion, generating polyMOFs with large surface areas and enhanced stability.

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

Computational and experimental search for potential polyanionic K-ion cathode materials

Discovering high-energy cathode materials is critical to construct K-ion batteries for practical applications. Owing to the great success of layered oxides in Li- and Na-ion systems, K layered cathodes have also been investigated in recent years. However, the much larger size of K + compared to Li or Na introduces strong K + –K + interaction within the layer, which results in a sloped voltage profile thereby limiting the specific capacity and operating voltage. In contrast, polyanionic materials with a three-dimensional K + arrangement can effectively mitigate K + –K + interaction. In this work, ten K polyanionic compounds with theoretical capacity >100 mA h g –1 are screened from the Inorganic Crystal Structure Database as potential cathode materials for K-ion batteries. Among the ten proposed compounds, K 2 MnP 2 O 7 , K 2 Mn 2 P 2 O 7 F 2 , K 2 Fe 2 P 2 O 7 F 2 , and K 6 V 2 (PO 4 ) 4 with average voltage <4.5 V are synthesized and evaluated electrochemically. While the re-insertion of K into these compounds is not fully reversible, it may be related to the very high migration barrier that we compute for K ions. In addition, we show the successful synthesis of a series of K 3 V 3–x Cr x (PO 4 ) 4 (x = 0, 1, 2, 3) compounds. Among these, K 3 V 2 Cr(PO 4 ) 4 exhibits the largest reversible capacity, as revealed by the in situ investigation. Lastly, we find that the redox couples in many of these compounds sit at remarkably high potential, even higher than in equivalent Li compounds, which brings both opportunities and challenges in the future research of K polyanion cathodes.

25 ENERGY STORAGE↗
DOE OSTI2014

Final Report: Laser-Material Interactions Relevant to Analytic Spectroscopy of Wide Band Gap Materials

We summarize our studies aimed at developing an understanding of the underlying physics and chemistry in terms of laser materials interactions relevant to laser-based sampling and chemical analysis of wide bandgap materials. This work focused on the determination of mechanisms for the emission of electrons, ions, atoms, and molecules from laser irradiation of surfaces. We determined the important role of defects on these emissions, the thermal, chemical, and physical interactions responsible for matrix effects and mass-dependent transport/detection. This work supported development of new techniques and technology for the determination of trace elements contained such as nuclear waste materials.

25 ENERGY STORAGE↗
DOE OSTI2018

Material Model Testing in the DYNA3D Code: Material Models 6 through 10

This report is the second volume in an effort to study the material model implementations in DYNA3D, using the latest developmental version of the code. Input files were derived from a template supplied by Jerry Lin to perform an equation-of-state study. Most of the simulations use 10 cubes, each 1 cm on a side with a density of 8.03 (steel). Each of the cubes tests a different aspect of the material model. This document will discuss the testing of Material Models 6 through 10. Relevant results from the test cubes will be discussed. A discussion of the results from all 10 test cubes will be presented only if necessary.

42 ENGINEERING↗