Search NASA⌕ Search

SEARCH · Search NASA

Results for “emergent property”

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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Realization of a two-dimensional Weyl semimetal and topological Fermi strings

A two-dimensional (2D) Weyl semimetal, akin to a spinful variant of graphene, represents a topological matter characterized by Weyl fermion-like quasiparticles in low dimensions. The spinful linear band structure in two dimensions gives rise to distinctive topological properties, accompanied by the emergence of Fermi string edge states. We report the experimental realization of a 2D Weyl semimetal, bismuthene monolayer grown on SnS(Se) substrates. Using spin and angle-resolved photoemission and scanning tunneling spectroscopies, we directly observe spin-polarized Weyl cones, Weyl nodes, and Fermi strings, providing consistent evidence of their inherent topological characteristics. Our work opens the door for the experimental study of Weyl fermions in low-dimensional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Pre-formed Cooper pairs in copper oxides and LaAlO 3 —SrTiO 3 heterostructures

The Bardeen–Cooper–Schrieffer theory of superconductivity and the Landau–Fermi liquid theory form the basis of our current understanding of conventional superconductors and their parent non-superconducting phases. However, some exotic superconductors do not conform to this physical picture but instead feature an unusual ‘normal’ state that is not a Fermi liquid. One explanation of this unusual behaviour is that pre-formed pairs of electrons are established above the superconducting temperature T c . Here, we highlight recent experiments that show the likely existence of these pre-formed pairs in two rather different materials—a high-temperature cuprate superconductor and strontium titanate. Moreover, in both materials the normal state from which superconductivity emerges has other shared properties, including a pseudogap and electronic nematicity—rotational symmetry breaking in the electron fluid that is not expected in Fermi liquid theory nor more generally from the crystal lattice symmetry. These experimental findings should provoke more interaction between the communities working on these materials and new insights into the underlying mechanism of the creation of pre-formed pairs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Constructing protein polyhedra via orthogonal chemical interactions

Many proteins exist naturally as symmetrical homooligomers or homopolymers. The emergent structural and functional properties of such protein assemblies have inspired extensive efforts in biomolecular design2–5. As synthesized by ribosomes, proteins are inherently asymmetric. Therefore, they must acquire multiple surface patches that selectively associate to generate the different symmetry elements needed to form higher-order architectures—a daunting task for protein design. Here we address this problem using an inorganic chemical approach, whereby multiple modes of protein–protein interactions and symmetry are simultaneously achieved by selective, ‘one-pot’ coordination of soft and hard metal ions. We show that a monomeric protein (protomer) appropriately modified with biologically inspired hydroxamate groups and zinc-binding motifs assembles through concurrent Fe 3+ and Zn 2+ coordination into discrete dodecameric and hexameric cages. Our cages closely resemble natural polyhedral protein architectures and are, to our knowledge, unique among designed systems in that they possess tightly packed shells devoid of large apertures. At the same time, they can assemble and disassemble in response to diverse stimuli, owing to their heterobimetallic construction on minimal interprotein-bonding footprints. With stoichiometries ranging from [2 Fe:9 Zn:6 protomers] to [8 Fe:21 Zn:12 protomers], these protein cages represent some of the compositionally most complex protein assemblies—or inorganic coordination complexes—obtained by design.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A type-I van der Waals heterostructure formed by monolayer WS 2 and trilayer PdSe 2

Two-dimensional (2D) heterostructures, formed by stacking 2D semiconductors through the van der Waals force, have been extensively studied recently. However, the majority of the heterostructures discovered so far possess type-II interfaces that facilitate interlayer charge separation. Type-I interfaces, on the other hand, confine both electrons and holes in one layer, which is beneficial for optical applications that utilize electron–hole radiative recombination. So far, only a few type-I 2D heterostructures have been achieved, which has limited the construction of multilayer heterostructures with sophisticated band landscapes. Here, we report experimental evidence of a type-I interface between monolayer WS 2 and trilayer PdSe 2 . Two-dimensional PdSe 2 has emerged as a promising material for infrared optoelectronic and other applications. We fabricated the heterostructure by stacking an exfoliated monolayer WS 2 flake on top of a trilayer PdSe 2 film, synthesized by chemical vapor deposition. Photoluminescence spectroscopy measurements revealed that the WS 2 exciton peak is significantly quenched in the heterostructure, confirming efficient excitation transfer from WS 2 to PdSe 2 . Femtosecond transient absorption measurements with various pump/probe configurations showed that both electrons and holes photoexcited in the WS 2 layer of the heterostructure can efficiently transfer to PdSe 2 , while neither type of carriers excited in PdSe 2 can transfer to WS 2 . These experimental findings establish a type-I band alignment between monolayer WS 2 and trilayer PdSe 2 . Furthermore, our results further highlight PdSe 2 as an important 2D material for constructing van der Waals heterostructures with emergent electronic and optoelectronic properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Colloidal synthesis of ultrathin KFeS 2 and RbFeS 2 magnetic nanowires with non-van der Waals 1D structures

Design of one-dimensional (1D) nanomaterials based on non-van der Waals (non-vdW) 1D chain structures is emerging as a new materials frontier, owing to their strong intrinsic anisotropy and broad compositional diversity. However, achieving ultrathin 1D morphology in such systems remains a significant challenge. In this work, we report the colloidal synthesis of ultrathin KFeS 2 and RbFeS 2 nanowires—representing the first fabrication of ultrathin 1D nanomaterials driven by non-vdW 1D crystal structures. The nanowires exhibit diameters of ∼5 nm and lengths of microns, with anisotropic growth directed by covalent [FeS 2 ] − chains. Magnetic characterization reveals significantly reduced antiferromagnetic transition temperatures and suppressed interchain ferromagnetic interactions, demonstrating pronounced size and morphology effects. Control experiments on structurally related materials indicate that direct nucleation of the 1D phase is essential for achieving the nanowire morphology. These findings establish a new synthetic pathway to an understudied family of non-vdW 1D nanomaterials, enabling exploration of their emergent quantum and magnetic properties.

Sun, Zhaohong [University of Southern California, ↗
DOE OSTI2022

Mesoscale structural gradients in human tooth enamel

The outstanding mechanical and chemical properties of dental enamel emerge from its complex hierarchical architecture. An accurate, detailed multiscale model of the structure and composition of enamel is important for understanding lesion formation in tooth decay (dental caries), enamel development (amelogenesis) and associated pathologies (e.g., amelogenesis imperfecta or molar hypomineralization), and minimally invasive dentistry. Although features at length scales smaller than 100 nm (individual crystallites) and greater than 50 µm (multiple rods) are well understood, competing field of view and sampling considerations have hindered exploration of mesoscale features, i.e., at the level of single enamel rods and the interrod enamel (1 to 10 µm). Here, we combine synchrotron X-ray diffraction at submicrometer resolution, analysis of crystallite orientation distribution, and unsupervised machine learning to show that crystallographic parameters differ between rod head and rod tail/interrod enamel. This variation strongly suggests that crystallites in different microarchitectural domains also differ in their composition. Thus, we use a dilute linear model to predict the concentrations of minority ions in hydroxylapatite (Mg 2+ and CO 3 2- /Na + ) that plausibly explain the observed lattice parameter variations. While differences within samples are highly significant and of similar magnitude, absolute values and the sign of the effect for some crystallographic parameters show interindividual variation that warrants further investigation. In conclusion, by revealing additional complexity at the rod/interrod level of human enamel and leaving open the possibility of modulation across larger length scales, these results inform future investigations into mechanisms governing amelogenesis and introduce another feature to consider when modeling the mechanical and chemical performance of enamel.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Prediction of double-Weyl points in the iron-based superconductor CaKFe 4 As 4

Employing a combination of symmetry analysis, low-energy modeling, and ab initio simulations, we predict the presence of magnetic-field-induced Weyl points close to the Fermi level in CaKFe 4 As 4 . Depending on the relative strengths of the magnetic field and of the spin-orbit coupling, the Weyl fermions can carry a topological charge of ±1 or ±2, making CaKFe 4 As 4 a rare realization of a double-Weyl semimetal. Here, we further predict experimental manifestations of these Weyl points, both in bulk properties, such as the anomalous Hall effect, and in surface properties, such as the emergence of prominent Fermi arcs. Because CaKFe 4 As 4 displays unconventional fully gapped superconductivity below 30 K, our findings open a route to investigate the interplay between superconductivity and Weyl fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Phase Pattern Formation in Grain Boundaries

Here, in this Letter, we derive conditions that predict the existence of two-phase periodic-pattern grain boundary structures that are stable against coarsening. While previous research has established that elastic effects can lead to phase pattern formation on crystal surfaces, the possibility of stable grain boundary structures composed of alternating grain boundary phases has not been previously analyzed. Our theory identifies the specific combination of grain boundary and materials properties that enable the emergence of patterned grain boundary states and shows that the dislocation content of grain boundary phase junctions, absent in surface phenomena, weakens the stability of the patterned structures. The predictions of the theory are tested using a model copper grain boundary that exhibits multiple phases and two-phase pattern formation. We discuss how, similarly to surfaces, elastic effects associated with grain boundary phase junctions have profound implications for how grain boundary phases transform.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Cathode Electrolyte Diagnostics Based on Scanning Probe Microscopy

Various processes lead to degradation of cathodes in lithium-ion batteries. Questions remain regarding mechanisms of many of these processes. Probe microscopy methods including scanning electrochemical microscopy (SECM) are capable of directly probing processes at the cathode/electrolyte interface. SECM uses a small electrode to perform rapid electrochemical analysis of transient species generated at an active cathode/electrolyte interface. This paper discusses the background of the SECM instrument and its application to lithium-ion battery research. We also describe the application of SECM methods to the study of cathode degradation processes observed in lithium-ion batteries. Specifically, we focus on characterizing the dissolution of manganese from LiMn2O4 (LMO) based on recent debate in the literature. We describe experiments to observe and characterize the electrochemical properties of manganese complexes emerging from degrading LMO electrode materials.

cathode/electrolyte interface↗
DOE OSTI2023

Coupled topological flat and wide bands: Quasiparticle formation and destruction

Flat bands amplify correlation effects and are of extensive current interest. They provide a platform to explore both topology in correlated settings and correlation physics enriched by topology. Recent experiments in correlated kagome metals have found evidence for strange-metal behavior. A major theoretical challenge is to study the effect of local Coulomb repulsion when the band topology obstructs a real-space description. In a variant to the kagome lattice, we identify an orbital-selective Mott transition in any system of coupled topological flat and wide bands. This was made possible by the construction of exponentially localized and Kramers-doublet Wannier functions, which, in turn, leads to an effective Kondo-lattice description. Our findings show how quasiparticles are formed in such coupled topological flat-wide band systems and, equally important, how they are destroyed. Our work provides a conceptual framework for the understanding of the existing and emerging strange-metal properties in kagome metals and beyond.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Advances in CdZnTeSe for Radiation Detector Applications

Detection of X- and gamma-rays is essential to a wide range of applications from medical imaging to high energy physics, astronomy, and homeland security. Cadmium zinc telluride (CZT) is the most widely used material for room-temperature detector applications and has been fulfilling the requirements for growing detection demands over the last three decades. However, CZT still suffers from the presence of a high density of performance-limiting defects, such as sub-grain boundary networks and Te inclusions. Cadmium zinc telluride selenide (CZTS) is an emerging material with compelling properties that mitigate some of the long-standing issues seen in CZT. This new quaternary is free from sub-grain boundary networks and possesses very few Te inclusions. In addition, the material offers a high degree of compositional homogeneity. The advancement of CZTS has accelerated through investigations of the material properties and virtual Frisch-grid (VFG) detector performance. The excellent material quality with highly reduced performance-limiting defects elevates the importance of CZTS as a potential replacement to CZT at a substantially lower cost.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Applying Dynamic Strain on Thin Oxide Films Immobilized on a Pseudoelastic Nickel-Titanium Alloy

Direct alteration of materials structure/function through strain is a burgeoning area of research that has allowed for novel properties of materials to emerge. Tuning materials structure can be achieved by controlling an external force imposed on materials and inducing stress-strain responses (i.e., applying dynamic strain). Electroactive thin films are typically deposited on shape or volume tunable elastic substrates, where mechanical loading (i.e. compression or tension) can affect films structure and function through imposed strain. Here we summarize methods for straining n-type doped titanium dioxide (TiO2) films prepared by a thermal treatment of a pseudo-elastic nickel-titanium alloy. The main purpose of the described methods is to study how strain affects electrocatalytic activities of metal oxide, specifically hydrogen evolution and oxygen evolution reactions. The same system can be adapted to study the effect of strain more broadly. Strain engineering can be applied for optimization of a material function, as well as for design of adjustable, multifunctional (photo)electrocatalytic materials under external stress control.

92 SC - Basic Energy Sciences (BES) (SC-22)↗
NASA NTRS1980

Quantitative ultrasonic evaluation of engineering properties in metals, composites and ceramics

Ultrasonic technology from the perspective of nondestructive evaluation approaches to material strength prediction and property verification is reviewed. Emergent advanced technology involving quantitative ultrasonic techniques for materials characterization is described. Ultrasonic methods are particularly useful in this area because they involve mechanical elastic waves that are strongly modulated by the same morphological factors that govern mechanical strength and dynamic failure processes. It is emphasized that the technology is in its infancy and that much effort is still required before all the available techniques can be transferred from laboratory to industrial environments.

Vary, A.↗
NASA NTRS1993

X ray opacity in cluster cooling flows

We have calculated the emergent x-ray properties for a set of spherically symmetric, steady-state cluster cooling flow models including the effects of radiative transfer. Opacity due to resonant x-ray lines, photoelectric absorption, and electron scattering have been included in these calculations, and homogeneous and inhomogeneous gas distributions were considered. The effects of photoionization opacity are small for both types of models. In contrast, resonant line optical depths can be quite high in both homogeneous and inhomogeneous models. The presence of turbulence in the gas can significantly lower the line opacity. We find that integrated x-ray spectra for the flow cooling now are only slightly affected by radiative transfer effects. However x-ray line surface brightness profiles can be dramatically affected by radiative transfer. Line profiles are also strongly affected by transfer effects. The combined effects of opacity and inflow cause many of the lines in optically thick models to be asymmetrical.

Wise, Michael W.↗
NASA NTRS1994

Coupling gravity, electromagnetism and space-time for space propulsion breakthroughs

spaceflight would be revolutionized if it were possible to propel a spacecraft without rockets using the coupling between gravity, electromagnetism, and space-time (hence called 'space coupling propulsion'). New theories and observations about the properties of space are emerging which offer new approaches to consider this breakthrough possibility. To guide the search, evaluation, and application of these emerging possibilities, a variety of hypothetical space coupling propulsion mechanisms are presented to highlight the issues that would have to be satisfied to enable such breakthroughs. A brief introduction of the emerging opportunities is also presented.

Millis, Marc G.↗
NASA NTRS1994

Magnetocentrifugally driven flows from young stars and disks. 2: Formulation of the dynamical problem

We formulate the dynamical problem of a cool wind centrifugally driven from the magnetic interface of a young star and an adjoining Keplerian disk. We examine the situation for mildly accreting T Tauri stars that rotate slowly as well as rapidly accreting protostars that rotate near break-up. In both cases a wind can be driven from a small X-region just outside the stellar magnetopause, where the field lines assume an open geometry and are rooted to material that rotates at an angular speed equal both to the local Keplerian value and to the stellar angular speed. Assuming axial symmetry for the ideal magnetohydrodynamic flow, which requires us to postpone asking how the (lightly ionized) gas is loaded onto field lines, we can formally integrate all the governing equations analytically except for a partial equation that describes how streamlines spread in the meridional plane. Apart from the difficulty of dealing with PDEs of mixed type, finding the functional forms of the conserved quantities along streamlines - the ratio beta of magnetic field to mass flux, the specific energy H of the fluid in the rotating frame, and the total specific angular momentum J carried in the matter and the field - constitutes a standard difficulty in this kind of (Grad-Shafranov) formalism. Fortunately, because the ratio of the thermal speed of the mass-loss regions to the Keplerian speed of rotation of the interface constitutes a small parameter epsilon, we can attack the overall problem by the method of matched asymptotic expansions. This procedure leads to a natural and systematic technique for obtaining the relevant functional dependences of beta, H, and J. Moreover, we are able to solve analytically for the properties of the flow emergent from the small transsonic region driven by gas pressure without having to specify the detailed form of any of the conserved functions, beta, H, and J. This analytical solution provides inner boundary conditions for the numerical computation in a companion paper by Najita & Shu of the larger region where the main acceleration to terminal speeds occurs.

Shu, Frank H.↗
NASA NTRS2011

Flight Dynamics Operations: Methods and Lessons Learned from Space Shuttle Orbit Operations

The Flight Dynamics Officer is responsible for trajectory maintenance of the Space Shuttle. This paper will cover high level operational considerations, methodology, procedures, and lessons learned involved in performing the functions of orbit and rendezvous Flight Dynamics Officer and leading the team of flight dynamics specialists during different phases of flight. The primary functions that will be address are: onboard state vector maintenance, ground ephemeris maintenance, calculation of ground and spacecraft acquisitions, collision avoidance, burn targeting for the primary mission, rendezvous, deorbit and contingencies, separation sequences, emergency deorbit preparation, mass properties coordination, payload deployment planning, coordination with the International Space Station, and coordination with worldwide trajectory customers. Each of these tasks require the Flight Dynamics Officer to have cognizance of the current trajectory state as well as the impact of future events on the trajectory plan in order to properly analyze and react to real-time changes. Additionally, considerations are made to prepare flexible alternative trajectory plans in the case timeline changes or a systems failure impact the primary plan. The evolution of the methodology, procedures, and techniques used by the Flight Dynamics Officer to perform these tasks will be discussed. Particular attention will be given to how specific Space Shuttle mission and training simulation experiences, particularly off-nominal or unexpected events such as shortened mission durations, tank failures, contingency deorbit, navigation errors, conjunctions, and unexpected payload deployments, have influenced the operational procedures and training for performing Space Shuttle flight dynamics operations over the history of the program. These lessons learned can then be extended to future vehicle trajectory operations.

Cutri-Kohart, Rebecca M.↗
DOE OSTI2021

Connecting Geomechanical Properties with Potential for Proppant Embedment and Production Decline for the Emerging Caney Shale, Oklahoma

The Caney Shale is emerging as a target for hydrocarbon production, creating opportunities to study rock mechanical origins of observed/anticipated challenges to effective and sustained stimulation. Here we examine five subunits within the Caney, two of which are dubbed “ductile” and three of which are dubbed “reservoir” rock types. The “ductile” versus “reservoir” identification is initially based on elastic properties ascertained from well logs. By comparing core-based mechanical tests, it is found nominally ductile and reservoir layers do not differ in terms of brittleness, but instead the nominally ductile layers tend to be weaker and more prone to creep deformation compared to the nominally more brittle reservoir layers. This difference in mechanical properties is shown to generate higher susceptibility to proppant embedment in the weaker and more creep-prone layers. Specifically, over a 5-year period, the creep is expected to have little impact on reservoir layers but is predicted to reduce propped fracture aperture by a factor of 2 in the ductile layers.

Benge, Margaret↗