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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 OSTI2018

Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses

In glassy materials, the Johari–Goldstein secondary (β) relaxation is crucial to many properties as it is directly related to local atomic motions. However, a long-standing puzzle remains elusive: why some glasses exhibit β relaxations as pronounced peaks while others present as unobvious excess wings? Using microsecond atomistic simulation of two model metallic glasses (MGs), we demonstrate that such a difference is associated with the number of string-like collective atomic jumps. Relative to that of excess wings, we find that MGs having pronounced β relaxations contain larger numbers of such jumps. Structurally, they are promoted by the higher tendency of cage-breaking events of their neighbors. Furthermore, our results provide atomistic insights for different signatures of the β relaxation that could be helpful for understanding the low-temperature dynamics and properties of MGs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Continuous polyamorphic transition in high-entropy metallic glass

Polyamorphic transition (PT) is a compelling and pivotal physical phenomenon in the field of glass and materials science. Understanding this transition is of scientific and technological significance, as it offers an important pathway for effectively tuning the structure and property of glasses. In contrast to the PT observed in conventional metallic glasses (MGs), which typically exhibit a pronounced first-order nature, herein we report a continuous PT (CPT) without first-order characteristics in high-entropy MGs (HEMGs) upon heating. This CPT behavior is featured by the continuous structural evolution at the atomic level and an increasing chemical concentration gradient with temperature, but no abrupt reduction in volume and energy. The continuous transformation is associated with the absence of local favorable structures and chemical heterogeneity caused by the high configurational entropy, which limits the distance and frequency of atomic diffusion. As a result of the CPT, numerous glass states can be generated, which provides an opportunity to understand the nature, atomic packing, formability, and properties of MGs. Moreover, this discovery highlights the implication of configurational entropy in exploring polyamorphic glasses with an identical composition but highly tunable structures and properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Predicting the propensity for thermally activated β events in metallic glasses via interpretable machine learning

Abstract The elementary excitations in metallic glasses (MGs), i.e., β processes that involve hopping between nearby sub-basins, underlie many unusual properties of the amorphous alloys. A high-efficacy prediction of the propensity for those activated processes from solely the atomic positions, however, has remained a daunting challenge. Recently, employing well-designed site environment descriptors and machine learning (ML), notable progress has been made in predicting the propensity for stress-activated β processes (i.e., shear transformations) from the static structure. However, the complex tensorial stress field and direction-dependent activation could induce non-trivial noises in the data, limiting the accuracy of the structure-property mapping learned. Here, we focus on the thermally activated elementary excitations and generate high-quality data in several Cu-Zr MGs, allowing quantitative mapping of the potential energy landscape. After fingerprinting the atomic environment with short- and medium-range interstice distribution, ML can identify the atoms with strong resistance or high compliance to thermal activation, at a high accuracy over ML models for stress-driven activation events. Interestingly, a quantitative “between-task” transferring test reveals that our learnt model can also generalize to predict the propensity of shear transformation. Our dataset is potentially useful for benchmarking future ML models on structure-property relationships in MGs.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Structural responses of metallic glasses under neutron irradiation

Seeking nuclear materials that possess a high resistance to particle irradiation damage is a long-standing issue. Permanent defects, induced by irradiation, are primary structural changes, the accumulation of which will lead to structural damage and performance degradation in crystalline materials served in nuclear plants. In this work, structural responses of neutron irradiation in metallic glasses (MGs) have been investigated by making a series of experimental measurements, coupled with simulations in ZrCu amorphous alloys. It is found that, compared with crystalline alloys, MGs have some specific structural responses to neutron irradiation. Although neutron irradiation can induce transient vacancy-like defects in MGs, they are fully annihilated after structural relaxation by rearrangement of free volumes. In addition, the rearrangement of free volumes depends strongly on constituent elements. In particular, the change in free volumes occurs around the Zr atoms, rather than the Cu centers. This implies that there is a feasible strategy for identifying glassy materials with high structural stability against neutron irradiation by tailoring the microstructures, the systems, or the compositions in alloys. Furthermore, this work will shed light on the development of materials with high irradiation resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Inherent structure length in metallic glasses: Simplicity behind complexity

One of the central themes in materials science is the structure-property relationship. In conventional crystalline metals, their mechanical behaviour is often dictated by well-defined structural defects such as dislocations, impurities, and twins. However, the structure-property relationship in amorphous alloys is far from being understood, due to great difficulties in characterizing and describing the disordered atomic-level structure. Here, we report a universal, yet simple, correlation between the macroscopic mechanical properties (i.e., yield strength and shear modulus) and a unique characteristic structural length in metallic glasses (MGs). Lastly, our analysis indicates that this characteristic length can incorporate effects of both the inter-atomic distance and valence electron density in MGs, and result in the observed universal correlation. The current findings shed lights on the basic understanding of mechanical properties of MGs from their disordered atomic structures.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Composition and grain size effects on the structural and mechanical properties of CuZr nanoglasses

Nanoglasses (NGs), metallic glasses (MGs) with a nanoscale grain structure, have the potential to considerably increase the ductility of traditional MGs while retaining their outstanding mechanical properties. We investigated the effects of composition on the structural and mechanical properties of CuZr NG films with grain sizes between 3 to 15 nm using molecular dynamics simulations. Results indicate a transition from localized shear banding to homogeneous superplastic flow with decreasing grain size, although the critical average grain size depends on composition: 5 nm for Cu{sub 36}Zr{sub 64} and 3 nm for Cu{sub 64}Zr{sub 36}. The flow stress of the superplastic NG at different compositions follows the trend of the yield stress of the parent MG, i.e., Cu{sub 36}Zr{sub 64} yield/flow stress: 2.54 GPa/1.29 GPa and Cu{sub 64}Zr{sub 36} yield/flow stress: 3.57 GPa /1.58 GPa. Structural analysis indicates that the differences in mechanical behavior as a function of composition are rooted at the distinct statistics of prominent atomic Voronoi polyhedra. The mechanical behavior of NGs is also affected by the grain boundary thickness and the fraction of atoms at interfaces for a given average grain size. The results suggest that the composition dependence of the mechanical behavior of NGs follows that of their parent MGs, e.g., a stronger MG will generate a stronger NG, while the intrinsic tendency for homogeneous deformation occurring at small grain size is not affected by composition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Prominent β-relaxations in yttrium based metallic glasses

Most metallic glasses (MGs) exhibit weak slow β-relaxation. We report the prominent β-relaxation in YNiAl metallic glass with a wide composition range. Compared with other MGs, the MGs show a pronounced β-relaxation peak and high β-relaxation peak temperature, and the β-relaxation behavior varies significantly with the changes of the constituent elements, which is attributed to the fluctuations of chemical interactions between the components. We demonstrate the correlation between the β-relaxation and the activation of flow units for mechanical behaviors of the MG and show that the MG is model system for studying some controversial issues in glasses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A fast dynamic mode in rare earth based glasses

Metallic glasses (MGs) usually exhibit only slow β-relaxation peak, and the signature of the fast dynamic is challenging to be observed experimentally in MGs. We report a general and unusual fast dynamic mode in a series of rare earth based MGs manifested as a distinct fast β′-relaxation peak in addition to slow β-relaxation and α-relaxation peaks. We show that the activation energy of the fast β′-relaxation is about 12RT{sub g} and is equivalent to the activation of localized flow event. The coupling of these dynamic processes as well as their relationship with glass transition and structural heterogeneity is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Contribution of cryogenic thermal cycling to the atomic dynamics in a La-based bulk metallic glass with different initial states

Structural rejuvenation in metallic glasses (MGs) induced by cryogenic thermal cycling has been intensively studied. However, the effect of thermal cycling on the atomic dynamics in MGs is still missing. In this work, we present a systematic study on the atomic dynamics in a La-based MG affected by sub-Tg annealing and thermal cycling. We find that the thermal cycling has little effect on the atomic dynamics in both as-cast and annealed MGs although it could significantly increase the free volume and change mechanical properties of the as-cast MG sample. In contrast, both the structure and mechanical properties of the well-relaxed sample are almost unchanged by thermal cycling. Further, the increased open volume, mainly in the form of atomic vacancies, does not greatly promote the atomic dynamics in the as-cast MG sample, indicating that the free volume induced by thermal cycling is not the key factor in stimulating the β-relaxation and the boson peak in the studied MG.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Polyamorphism in a solute-lean Al–Ce metallic glass

Polyamorphism discovered in lanthanide-rich metallic glasses (MGs) has been attributed to the electronic transition of the lanthanide element as a solvent element. In this work, we report that pressure-induced polyamorphism still exists in a Ce-poor Al 93 Ce 7 binary MG where the 4f electron element serves as a solute and solute–solute avoidance is expected. The polyamorphic transition, observed by in situ high-pressure synchrotron x-ray diffraction, is accompanied by a volume collapse of ~0.78% and occurs over a narrow pressure range from ~0.8 to ~1.8 GPa. Further synchrotron Ce L 3 -edge x-ray absorption spectroscopy measurements reveal that pressure-induced 4f electron delocalization underlies the polyamorphic transition. Molecular dynamics simulations confirm that the Ce atoms in the MG are completely isolated by the solvent Al atoms. This result demonstrates that 4f element-bearing alloys with extremely dilute concentrations can also exhibit polyamorphic states originating from electronic transitions, extending the compositional space of polyamorphism of MGs into very dilute regions. Our work suggests that tunable properties under compressive stress could be achieved in MGs by even minor doping of elements prone to electronic transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

MicroFisher: Fungal taxonomic classification for metatranscriptomic and metagenomic data using multiple short hypervariable markers

AbstractProfiling the taxonomic and functional composition of microbes using metagenomic (MG) and metatranscriptomic (MT) sequencing is advancing our understanding of microbial functions. However, the sensitivity and accuracy of microbial classification using genome– or core protein-based approaches, especially the classification of eukaryotic organisms, is limited by the availability of genomes and the resolution of sequence databases. To address this, we propose the MicroFisher, a novel approach that applies multiple hypervariable marker genes to profile fungal communities from MGs and MTs. This approach utilizes the hypervariable regions of ITS and large subunit (LSU) rRNA genes for fungal identification with high sensitivity and resolution. Simultaneously, we propose a computational pipeline (MicroFisher) to optimize and integrate the results from classifications using multiple hypervariable markers. To test the performance of our method, we applied MicroFisher to the synthetic community profiling and found high performance in fungal prediction and abundance estimation. In addition, we also used MGs from forest soil and MTs of root eukaryotic microbes to test our method and the results showed that MicroFisher provided more accurate profiling of environmental microbiomes compared to other classification tools. Overall, MicroFisher serves as a novel pipeline for classification of fungal communities from MGs and MTs.

Wang, Haihua↗
DOE OSTI2023

Investigating Multi-Microgrid Black Start Methods Using Grid-Forming Inverters

This paper examines state-of-the-art microgrid (MG) black-start technologies with grid-forming (GFM) inverter-based resources (IBRs) and proposes black start and interconnection methods for 100% inverter-based MGs. A multiple-MG approach is proposed and compared to the existing methods in a 4-bus, 12-GFM inverter simulation test setup. This investigation involves intelligent synchronization units that enable the autonomous synchronization of multiple MGs based on their terminal measurements. MGs in this setup are held at different loading levels and comprise averaged models of GFM inverters. The results of the black-start techniques are compared, and conclusions are drawn to better prepare MG planners and distribution system operators for next-generation, multi-MG, GFM inverter-based, black-start procedures.

black start↗
DOE OSTI2020

Multi-Agent Safe Policy Learning for Power Management of Networked Microgrids

This paper presents a supervised multi-agent safe policy learning (SMAS-PL) method for optimal power management of networked microgrids (MGs) in distribution systems. While unconstrained reinforcement learning (RL) algorithms are black-box decision models that could fail to satisfy grid operational constraints, our proposed method considers AC power flow equations and other operational limits. Accordingly, the training process employs the gradient information of operational constraints to ensure that the optimal control policy functions generate safe and feasible decisions. Furthermore, we have developed a distributed consensus-based optimization approach to train the agents’ policy functions while maintaining MGs’ privacy and data ownership boundaries. After training, the learned optimal policy functions can be safely used by the MGs to dispatch their local resources, without the need to solve a complex optimization problem from scratch. Lastly, numerical experiments have been devised to verify the performance of the proposed method.

, policy gradient↗
DOE OSTI2023

Bi-Level Adaptive Storage Expansion Strategy for Microgrids Using Deep Reinforcement Learning

Battery energy storage (BES) is a versatile resource for the secure and economic operation of microgrids (MGs). Prevailing stochastic optimization-based approaches for BES expansion planning for MGs are computationally complicated. This work proposes a data-driven bi-level multi-period BES expansion planning framework to determine the siting, sizing, and timing of BES installations. The proposed planning framework unifies deep reinforcement learning (DRL) and linear programming, thereby decoupling the determinations for the integer and continuous decision variables in two time scales, respectively. In the upper level, a rainbow DRL agent with quantile regression is trained to provide dynamic planning policies to accommodate stochastic renewable energy resources (RESs), load, and battery price changes efficiently. Further, the lower level computes the optimal operation of MGs with frequency constraints to hedge the islanding contingency. The two levels communicate with one another by exchanging storage configuration and operating expenses in order to accomplish the shared goal of minimizing investment and operation costs. Comparative case studies on an MG are carried out to demonstrate the superiority of the proposed DRL-based solution to the mixed-integer linear programming counterpart on efficiency, scalability, and adaptability.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Singular Perturbation-Based Large-Signal Order Reduction of Microgrids for Stability and Accuracy Synthesis With Control

The increasing penetration of distributed energy resources (DERs) highlights the growing importance of microgrids (MGs) in enhancing power system reliability. Employing electromagnetic transient (EMT) analysis in MGs becomes crucial for controlling the rapid transients. However, this requires an accurate but high-order model of power electronics and their underlying control loops, complexifying the stability analysis from the viewpoint of a higher control level. To overcome these challenges, this paper proposes a large-signal order reduction (LSOR) method for MGs with considerations of external control inputs and the detailed dynamics of underlying control levels based on singular perturbation theory (SPT). Specially, we innovatively proposed and strictly proved a general stability and accuracy assessment theorem that allows us to analyze the dynamic stability of a full-order nonlinear system by only leveraging our derived reduced-order model (ROM) and boundary layer model (BLM). Furthermore, this theorem furnishes a set of conditions that determine the accuracy of the developed ROM. Lastly, by embedding such a theorem into the SPT, we propose a novel LSOR approach with guaranteed accuracy and stability analysis equivalence. Case studies are conducted on MG systems to show the effectiveness of the proposed approach.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1995

Mars Global Surveyor Mission: Environmental Assessment

This environmental assessment addresses the proposed action to complete the integration and launch the Mars Global Surveyor (MGS) spacecraft from Cape Canaveral Air Station (CCAS), Florida, during the launch window in November 1996. Mars Global Surveyor is part of the Solar System Exploration Program to the inner planets designed to maintain a sufficient level of scientific investigation and accomplishment so that the United States retains a leading position in solar system exploration through the end of the century. The Program consists of a specific sequence of missions, based on technological readiness, launch opportunities, rapidity of data return, and a balance of scientific disciplines. The purpose of the MGS mission would be to deliver a spacecraft platform to a low-altitude polar orbit around Mars where it would collect global observations of basic geological, geophysical, and climatological processes of the planet. To satisfy this purpose, the MGS mission would support a scientific set of objectives. Detailed global maps of surface topography, the distribution of minerals, the planet's mass, size, and shape, the characterization of Mars gravitational and magnetic fields, and the monitoring of global weather, collected over the period of one Martian year (about two Earth years), would help answer some of the questions about the evolution of Mars. Such an investigation would help scientists better understand the current state of water on Mars, the evolution of the planet's atmosphere, and the factors that led to major changes in the Martian climate. It would also provide much needed information on the magnetic field of Mars. Data collected from this mission would provide insight into the evolution of both Earth and the solar system, as well as demonstrate technological approaches that could be applicable to future Mars missions.

Source record↗
NASA NTRS1998

An Overview of Observations of Mars' North Polar Region From the Mars Global Surveyor Laser Altimeter

Since its arrival at Mars on September l5, 1997, the Mars Global Surveyor (MGS) has been in a near-polar elliptical orbit, with the orbital eccentricity decreasing during orbital periapse passes where the spacecraft aerobrakes through the martian atmosphere. The Mars Orbiter Laser Altimeter (MOLA), an instrument on the MGS, has the ability to range to the martian surface during nonaerobraking passes. MOLA can operate whenever the range from the spacecraft to the surface is less than 786 km, with the limit determined by the number of bits encoded for the range measurement During the capture orbit, aerobraking hiatus, and science phasing orbit (SPO) mission phases, MOLA acquired approximately 200 profiles across the northern hemisphere of Mars and provided more than 2,000,000 measurements of the radius of the planet. These observations cover the region from the north pole to about 10 degrees S latitude with a precision of a few tens of centimeters and an accuracy (at present) of about 30 in. Absolute accuracy of the elevations is limited by the knowledge of the MGS orbits; these should improve later in the mission due to a more optimal tracking geometry, an improved gravitational field, and the use of the high-gain antenna once the spacecraft achieves its approximately 400-km-altitude circular mapping orbit. MOLA measurements so far show a planet with a low, flat high-latitude region in the north and a higher, topographically rougher terrain nearer the equator. The north polar cap stands approximately 2-3 km above the surrounding terrain and displays deep chasms and complex structure. MOLA measurements of elevation, 1064-nm reflectivity, and backscattered pulse width indicate that the layered terrains are composed mainly of ice.

Smith, D. E.↗