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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Novel Cooling Rate Correlations in Molten Metal Gas Atomization

The cooling rate in molten metal gas atomization is the key determining factor for the microstructure of metal powders. Mathematical expressions for cooling rates often include the melt droplet diameter and a pre-exponential factor describing the materials and gas properties. A new mathematical cooling rate correlation for rapidly solidified melt droplets is proposed based on heat flow considerations during gas atomization. The model approach takes process conditions such as gas-to-melt mass flow ratio and the initial gas temperature into account. The mathematical formulation was experimentally developed using secondary dendrite arm spacing method. For this purpose, a Cu-6wt pct Sn alloy was atomized with close-coupled (CCA) and free-fall atomization (FFA). A novel approach was made to predict the pre-exponential factor that allows the transferability to other materials. Our correlation for the cooling rate and the pre-exponential factor was validated by experimental data from the literature. The novel correlation type is valid for two different atomizing systems (FFA and CCA), suggesting that it may be applicable to entirely different gas atomization systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Boosting Hydrogenation of CO 2 Using Cationic Cu Atomically Dispersed on 2D γ‐Al 2 O 3 Nanosheets

The continuous development of novel catalytic approaches is crucial for advancing efficient CO 2 hydrogenation processes. Drawing inspiration from single-atom catalysis and 2D materials, we designed a new 2D single-atom catalyst with excellent thermal stability by thermally treating Cu-adsorbed γ-AlOOH nanosheets, which yielded a Cu/γ-Al 2 O 3 catalyst with high activity in the hydrogenation of CO 2 -yielding methanol (CH 3 OH), dimethyl ether (DME), and CO as products. The active Cu sites are monodispersed and highly stable due to their cationic oxidation state and their substitution for pentacoordinated aluminum (Al P ) sites on particle surfaces. This study demonstrates an efficient approach for achieving a high CO 2 hydrogenation rate (30.45 mol mol −1 h −1 ) using a catalyst system that lacks metallic Cu centers, traditionally considered essential for H₂ dissociation, and employs what was previously thought to be an inert metal oxide (γ-Al 2 O 3 ) for CO and CH 3 OH production. Ongoing mechanistic studies aim to elucidate the synergy between cationic Cu single atoms and γ-Al 2 O 3 , a Lewis acid support, in facilitating hydrogen (H 2 ) activation and methanol formation.

2D catalyst↗
NASA NTRS2001

Beagle 2: The Next Exobiology Mission to Mars

Beagle 2 is a 60 kg probe (with a 30 kg lander) developed in the United Kingdom for inclusion on the European Space Agency's 2003 Mars Express. Beagle 2 will deliver to the Martian surface a payload which consists of a high percentage of science instruments to landed spacecraft mass. Beagle 2 will be launched in June, 2003 with Mars Express on a Soyuz-Fregat rocket from the Baikonur Cosmodrome in Kazakhstan. Beagle 2 will land on Mars on December 26, 2003 in the Isidis Planitia basin (approximately 10 degrees N and 275 degrees W), a large sedimentary basin that overlies the boundary between ancient highlands and northern plains. Isidis Planitia, the third largest basin on Mars, which is possibly filled with sediment deposited at the bottom of long-standing lakes or seas, offers an ideal environment for preserving traces of life. Beagle 2 was developed to search for organic material and other volatiles on and below the surface of Mars in addition to the study of the inorganic chemistry and mineralogy. Beagle 2 will utilize a mechanical mole and grinder to obtain samples from below the surface, under rocks and inside rocks. A pair of stereo cameras will image the landing site along with a microscope for examination of surface and rock samples. Analyses will include both rock and soil samples at various wavelengths, X-ray spectrometer and Mossbauer spectrometer as well as a search for organics and other light element species (e.g. carbonates and water) and measurement of their isotopic compositions. Beagle 2 has as its focus the goal of establishing whether evidence for life existed in the past on Mars at the Isidis Planitia site or at least establishing if the conditions were ever suitable. Carbonates and organic components were first recognized as existing on Mars when they were found in the Martian meteorite Nakhla. Romanek et al showed the carbonates in ALH84001 were formed at low temperatures. McKay et al noted possible evidence of early life on Mars within the ALH84001 meteorite. Thomas-Keprta et al showed the magnetite biomarkers in ALH84001's carbonates are indistinguishable from those formed by magnetotactic bacteria found on Earth. Gibson et al showed there was significant evidence for liquid water and biogenic products present on Mars across a 3.9 billion year period. A mechanical arm (PAW) operates from the lander and is used for science operations along with sample acquisition. Instruments attached to the PAW include: stereo cameras, Mossbauer instrument, X-ray fluorescence instrument, microscope, environmental sensors, rock corer/grinder, a spoon, mirror, brushes, a mole attachment for acquisition of subsurface to depths of 1 to 2 meters and an illumination device. Each camera has 14 filters which have been optimized for mineralogy composition, dust and water vapor detection. The microscope's camera is designed for viewing the size and shape of dust particles, rock surfaces, microfossils, and characteristics of the samples prior to introduction into the gas analysis package (GAP). The camera has a resolution of 4 microns/pixel, features four color capability (red, green, blue and UV (ultraviolet) fluoresence), a depth of focus of 40 micrometers and translation stage of +3 millimeters. The heart of the Beagle 2's life detection package is the gas analysis package (GAP), which consists of a mass spectrometer with collectors at fixed masses for precise isotopic ratio measurements and voltage scanning for spectral analysis. Primary aim of the GAP is to search for the presence of bulk constituents, individual species, and isotopic fractionations for both extinct and extent life along with studying the low-temperature geochemistry of the hydrogen, carbon, nitrogen and oxygen components on Mars from both the surface and atmosphere. GAP is a magnetic sector mass spectrometer with the range of 1 to 140 amu which can be operated in both the static and dynamic modes. A triple Faraday collector array will be used for C, N and O ratios along with a double Faraday array for H/D. Pulse counting electron multiplier will be utilized for noble gases and selected organics. Anticipated detection limits are at the picomole level for operation in the static mode of operation and high precision isotopic measurements will be made in the dynamic mode. Sample processing and preparation system consists of reaction vessels along with references. Sample ovens capable of being heated are attached to the manifold for sample combustion. Surface, subsurface materials and interior rock specimens will be combusted in pure oxygen gas at various temperature intervals to release organic matter and volatiles. Combustion process will permit detection of all forms and all atoms of carbon present in the samples. A chemical processing system is capable of a variety of conversion reactions. Gases are manipulated either by cryogenic or chemical reactions and passed through the gas handling portion of the vacuum system. There are two modes of operation: quantitative analysis and precise isotopic measurements. Additional information is contained in the original extended abstract.

Gibson, Everett K., Jr.↗
NASA NTRS1994

A study of the relationship between the performance and dependability of a fault-tolerant computer

This thesis studies the relationship by creating a tool (FTAPE) that integrates a high stress workload generator with fault injection and by using the tool to evaluate system performance under error conditions. The workloads are comprised of processes which are formed from atomic components that represent CPU, memory, and I/O activity. The fault injector is software-implemented and is capable of injecting any memory addressable location, including special registers and caches. This tool has been used to study a Tandem Integrity S2 Computer. Workloads with varying numbers of processes and varying compositions of CPU, memory, and I/O activity are first characterized in terms of performance. Then faults are injected into these workloads. The results show that as the number of concurrent processes increases, the mean fault latency initially increases due to increased contention for the CPU. However, for even higher numbers of processes (less than 3 processes), the mean latency decreases because long latency faults are paged out before they can be activated.

Goswami, Kumar K.↗
DOE OSTI2018

Processing Techniques for ODS Stainless Steels

Oxide dispersion-strengthened (ODS) alloys have been studied extensively, in part as a response to the need to develop the high-temperature materials that are required for energy efficient systems. ODS stainless steels, in particular, are of technological interest because of their high ductility and high strength at elevated temperatures, which when combined with their resistance to corrosion, render them ideal for many applications that require extreme performance quality. Survey of the published literature reveals that efforts have been devoted to incorporate specific strengthening mechanisms in order to meet demanding performance criteria for ODS alloys. As a result, a number of novel processing approaches have been developed in an effort to design distinct microstructures that can enhance the performance of ODS alloys. In the current paper, various techniques used to manufacture ODS stainless steel alloys are compared and summarized on the basis of a literature search, and results are contrasted with selected experimental data obtained by the authors. In particular, cryomilling, water-atomization, and melt-spinning processes are described in detail as three novel approaches that can be effectively used to distribute nanometric oxides in 316L stainless steel matrix. The microstructural features, mechanical properties, and sintering behavior of the fabricated materials are described and discussed. The critical processing parameters for each processing technique are discussed with reference to the properties of the material. The versatility and potential challenges of the individual techniques are also described and contrasted.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Engineering of niobium surfaces through accelerated neutral atom beam technology for quantum applications

A major roadblock to scalable quantum computing is phase decoherence and energy relaxation caused by qubits interacting with defect-related two-level systems (TLSs). Native oxides present on the surfaces of superconducting metals used in quantum devices are acknowledged to be a source of TLS that decrease qubit coherence times. Reducing microwave loss by “surface engineering” (i.e., replacing the uncontrolled native oxide of superconducting metals with a thin, stable surface with predictable characteristics) can be a key enabler for pushing performance forward with devices of higher intrinsic quality factor. In this work, we present a novel approach to replace the native oxide of niobium (typically formed in an uncontrolled fashion when its pristine surface is exposed to air) with an engineered oxide, using a room-temperature process that leverages accelerated neutral atom beam (ANAB) technology at 300 mm wafer scale. This ANAB is composed of a mixture of argon and oxygen, with tunable energy per atom, which is rastered across the wafer surface. The ANAB-engineered Nb-oxide thickness was found to vary from 2 to 6 nm depending on ANAB process parameters. The modeling of variable-energy x-ray photoelectron spectroscopy data confirms the thickness and compositional control of Nb surface oxide by the ANAB process. Furthermore, these results correlate well with those from transmission electron microscopy and x-ray reflectometry. Since ANAB is broadly applicable to material surfaces, the present study indicates its promise for modification of the surfaces of superconducting quantum circuits to achieve longer coherence times.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Development of Automated Atom Probe Tomography capability to study the influence of applied voltage and laser power on the final apparent composition of the analyzed specimen

This study presents the development and implementation of an autonomous Bayesian optimization (BO) framework for controlling and optimizing experimental parameters in Atom Probe Tomography (APT). Using commercial silicon needle samples as a benchmark system, we demonstrate that BO can efficiently navigate the complex parameter space of voltage and laser power to achieve target charge state ratios (specifically Si + /(Si + +Si 2+ )) with minimal experimental evaluations. Our implementation integrates Gaussian Process modeling with the CAMECA atom probe control framework, enabling autonomous adjustment of experimental conditions in real-time. Results show that the algorithm successfully converges to target ratios under different scenarios: maintaining a reference ratio, increasing the ratio (favoring Si 1+ ), and decreasing the ratio (favoring Si 2+ ). The system adapts to specimen evolution during analysis, compensating for changes in apex geometry while maintaining optimization targets. This work establishes a proof of concept for AI-driven optimization in APT, addressing the traditional challenges of manual parameter tuning and paving the way for applications to more complex materials where compositional accuracy is critical.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Understanding the Mechanism of Light and Elevated Temperature Induced Degradation of p-type Silicon Solar Cells (Final Report)

Light- and elevated-temperature-induced degradation (LeTID) was first discovered in multicrystalline Si (mc-Si) solar cells and was initially attributed to metal impurities. Later, LeTID was reported in Czochralski (Cz) and float-zone (FZ) Si, and is considered as an important efficiency loss mechanism in p-type passivated emitter rear contact (p-PERC) Cz Si solar cells. LeTID causes ~10% relative and permeant efficiency losses in these cells in warmer climate regions where the module temperature is > 50 °C. Unlike light-induced degradation (LID), which is also observed in p-PERC cells, LeTID is slower and takes weeks to months in the field to saturate. Another difference compared to LID is that regeneration in LeTID proceeds very slowly, and field regeneration could take > 25 years — essentially the life of the module. Unlike B-O defects that are responsible for LID, neither B nor O impurities are directly involved in LeTID. LeTID appears to be unique to p-type Si, and is also observed in Ga-doped Si. Currently, most experimental evidence relates LeTID to the injection of hydrogen present in the dielectric surface passivation layers, such as SiN x and Al 2 O 3 , into the monocrystalline Si (c-Si) bulk during the fast-firing step. The involvement of hydrogen is further strengthened by controlled studies that show that increasing the amount of hydrogen in the dielectric during fast-firing increases the degree of LeTID. Similar to LID, a regeneration process has been discovered for LeTID. Regeneration of LeTID defects occurs when samples are exposed to 2–4 Suns illumination at elevated temperatures of 140–220 °C for 2–15 hr. Given the slower kinetics of LeTID and sample regeneration compared to LID, this poses a challenge for the manufacturing and field reliability of p-PERC cells, which will be the leading photovoltaic technologies over the next decade. Therefore, there is a need to understand LeTID and develop strategies to mitigate this effect. The defect responsible for LeTID has been extensively studied with over 100 publications, but direct spectroscopic evidence of this defect’s structure is lacking. Without an atomistic understanding of the LeTID defect, it is difficult to assess the long-term efficacy of the current industrial mitigation strategies. This, in turn, has implications on energy production for tens of gigawatts of these cells that will be deployed yearly worldwide. Using electron paramagnetic resonance, we identified a defect associated with LeTID with a g-value of 2.006, which we attribute to an Si dangling bond in an extended defect such as a vacancy agglomerate with H possibly within or in close vicinity. These vacancy agglomerates are likely created during the firing process, during which time H atoms are also injected into the bulk from the hydrogenated SiN x dielectric layer. Our atomistic-level insight shows that the LeTID defect can be mitigated by targeted intrinsic defect engineering of the c-Si material through a slower pull rate of the Cz ingot or 1000 °C oxygen ambient processing of the Si wafer to reduce the vacancy concentration. This project was a collaborative effort between the Colorado School of Mines and the National Renewable Energy Laboratory.

14 SOLAR ENERGY↗
DOE OSTI2020

Solid-State Sintering of Core-Shell Ceramic Powders Fabricated by Particle Atomic Layer Deposition

The properties of technical ceramics are highly dependent on their microstructure, which evolves during sintering. Sintering is the process by which ceramic parts are subjected to high temperatures to activate chemical diffusion and the consumption of porosity. During the initial stage of sintering, interparticle necks between neighboring particles form and subsequently increase in size, consuming porosity as the particle centers move closer together. To experimentally determine how this process depends on particle surface composition, particle atomic layer deposition (ALD) was used to deposit a thin film of amorphous aluminum oxide (Al2O3) onto yttria-stabilized tetragonal zirconia (3YSZ) particles, producing core-shell structured powders. The uniformity of the Al2O3 film was confirmed with transmission electron microscopy and energy dispersive spectroscopy. Scanning electron microscopy was used to observe microstructural evolution during sintering, and the dihedral angles of Al2O3 and 3YSZ grains were measured to determine the ratio of interfacial energies between the 3YSZ|3YSZ, 3YSZ|Al2O3, and Al2O3|Al2O3 interfaces. Analysis of the densification kinetics revealed that the initial stage of densification is dependent on the material at the surface of the particles (ie, the Al2O3 film) and is controlled by the diffusion of Al3+ cations through Al2O3. Once the Al2O3 film has coalesced, the sintering behavior is controlled by the densification of the core material (3YSZ). Thus, core-shell powders fabricated by particle ALD sinter by a two-step process where the kinetics are dependent on the material present at interparticle contacts.

alumina↗
DOE OSTI2019

Manifold learning of four-dimensional scanning transmission electron microscopy

Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient processing and interpretation of large volumes of data remain challenging, especially for two-dimensional or light materials because the diffraction signal recorded on the pixelated arrays is weak. Here we employ data-driven manifold leaning approaches for straightforward visualization and exploration analysis of 4D-STEM datasets, distilling real-space neighboring effects on atomically resolved deflection patterns from single-layer graphene, with single dopant atoms, as recorded on a pixelated detector. These extracted patterns relate to both individual atom sites and sublattice structures, effectively discriminating single dopant anomalies via multi-mode views. We believe manifold learning analysis will accelerate physics discoveries coupled between data-rich imaging mechanisms and materials such as ferroelectric, topological spin, and van der Waals heterostructures.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Evolution of size-selected Pt cluster catalysts on prototypical oxide supports

The current quest for new pathways into sustainable, efficient and durable energy conversion technologies makes the used for a fundamental understanding of the atomic-scale phenomena underlying catalytic processes ever more pressing. In this context, characterizing catalyst particles in situ provides valuable information about the evolution of their composition, structure, oxidation state and charge state during an ongoing process. To disentangle the influence of individual parameters – temperature, pressure, gas composition, cluster size, as well as support acidity, redox state and defect density – it is crucial to control them precisely and separately in experiments. At the example of size-selected Pt n clusters – i.e. sub-nm particles defined to the exact number of atoms – on flat oxide supports, we follow their rich evolution phenomena via (synchrotron-based) X-ray photoelectron spectroscopy (XPS) and scanning tunnelling microscopy (STM) during temperature ramps and in various gas environments. Here, we present our experience with these highly defined, yet complicated-to-create samples in ultra-high vacuum (UHV) and at mbar pressures. We discuss their stability during transport to synchrotrons and under reaction conditions on three prototypical oxide supports and show the various phenomena that can be disentangled. Ptn clusters on the non-reducible silicon dioxide, SiO 2 , remain size-selected and show remarkable stability. Doping strongly influences the size-dependent binding energy shifts and changes the Pt response to oxidative and reaction conditions, which we attribute to different cluster geometries: p-type doping leads to wetting, enhanced sinter resistance and a diminished response to oxidative environments, compared to clusters on n-type doped samples. We compare the system with our previous findings of a similar change in dimensionality for Pt 20 clusters on the reducible ceria, CeO 2 (111), support, induced by modulation of its O vacancy density. The Pt n /CeO 2 system is particularly interesting for strategies to stabilize and redisperse Pt clusters dynamically. Finally, we study the evolution of Pt n clusters on another reducible oxide support, magnetite, Fe 3 O 4 (001), in 0.1 mbar alternating redox conditions at RT and elevated temperature. In analogy to findings previously reported for Pt/TiO 2 (110), the clusters either become encapsulated by a thin oxide film via strong metal–support interaction (SMSI) or deeply buried in the magnetite. Overall, our approach of following the evolution of size-selected clusters on oxide supports leads to fundamental atomic-scale insights on nano-scale catalyst materials, on our path to sustainable, dynamic and self-repairing catalysts.

Falling, Lorenz J. [Technical Univ. of Munich (Ger↗
DOE OSTI2024

Diffusion quantum Monte Carlo approach to the polaritonic ground state

Making and using polaritonic states (i.e., hybrid electron-photon states) for chemical applications has recently become one of the most prominent and active fields that connects the communities of chemistry and quantum optics. Modeling of such polaritonic phenomena using ab initio approaches calls for new methodologies, leading to the reinvention of many commonly used electronic structure methods, such as Hartree-Fock, density functional, and coupled cluster theories. Here in this work, we explore the formally exact diffusion quantum Monte Carlo approach to obtain numerical solutions to the polaritonic ground state during the dissociation of the H 2 molecular system. Here, we examine various electron-nuclear-photon properties throughout the dissociation, such as changes to the minimum of the cavity Born-Oppenheimer surface, the localization of the electronic wave function, and the average mode occupation. Finally, we directly compare our results to that obtained with state-of-the-art, yet approximate, polaritonic coupled cluster approaches.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1994

A Theoretical Evaluation of Secondary Atomization Effects on Engine Performance for Aluminum Gel Propellants

A one-dimensional model of a gel-fueled rocket combustion chamber has been developed. This model includes the processes of liquid hydrocarbon burnout, secondary atomization. aluminum ignition, and aluminum combustion. Also included is a model of radiative heat transfer from the solid combustion products to the chamber walls. Calculations indicate that only modest secondary atomization is required to significantly reduce propellant burnout distances, aluminum oxide residual size and radiation heat wall losses. Radiation losses equal to approximately 2-13 percent of the energy released during combustion were estimated. A two-dimensional, two-phase nozzle code was employed to estimate radiation and nozzle two-phase flow effects on overall engine performance. Radiation losses yielded a 1 percent decrease in engine I(sub sp). Results also indicate that secondary atomization may have less effect on two-phase losses than it does on propellant burnout distance and no effect if oxide particle coagulation and shear induced droplet breakup govern oxide particle size. Engine I(sub sp) was found to decrease from 337.4 to 293.7 seconds as gel aluminum mass loading was varied from 0-70 wt percent. Engine I(sub sp) efficiencies, accounting for radiation and two-phase flow effects, on the order of 0.946 were calculated for a 60 wt percent gel, assuming a fragmentation ratio of 5.

Mueller, D. C.↗
NASA NTRS1983

Atomic nitrogen emissions from photodissociation of N2

Cross sections for the production of N I emissions at 1412, 1493, and 1743 A and the undispersed fluorescence in the range 1050-1800 A produced through photodissociative excitation of N2 have been determined at selected intense atomic emission lines and throughout the synchrotron radiation continuum from 500 to 620 A. The neutral excited atomic nitrogen fragments are produced through direct dissociation processes as well as predissociation from the well-known two-electron excited Rydberg states. The yield for photodissociative excitation processes is found to have the same magnitude as that for photodissociative ionization processes reported by other investigators. The Doppler shifts of the excited atomic fragments have been calculated, and the relevance to atmospheric observations is discussed.

Wu, C. Y. R.↗
DOE OSTI2020

Highly selective Si 3 N 4 /SiO 2 etching using an NF 3 /N 2 /O 2 /H 2 remote plasma. I. Plasma source and critical fluxes

Highly selective plasma etching of silicon nitride (Si 3 N 4 ), while not etching silicon dioxide (SiO 2 ), is a critical step in the fabrication of microelectronics devices. In many applications, this etching must be damage-free and isotropic, which then motivates the use of remote plasmas where the reactants interacting with the substrate are dominantly neutral species. In this paper and Paper II, mechanisms for highly selective Si 3 N 4 etching in remote plasmas are discussed based on results from experiments and simulations. It has been shown experimentally that high Si 3 N 4 /SiO 2 etch selectivity (≈380) can be achieved in the downstream effluent of an NF 3 /N 2 /O 2 /H 2 plasma. The authors found that H2 plays a principal role in the reaction mechanism as Si 3 N 4 /SiO 2 selectivity shows a sharp maximum as a function of the H2 flow rate. Based on this observation, and measured densities of F-atoms and H2 in the process chamber, a mechanism of selective Si 3 N 4 /SiO 2 etching is proposed in which HF molecules in vibrationally excited states accelerate etching reactions. A reaction mechanism for NF 3 /N 2 /O 2 /H 2 plasmas and its afterglow was developed to computationally determine the species densities and fluxes on the wafer level, validated by comparing with experimentally measured F-atom and H 2 densities. The calculated species densities and fluxes were used as input to an analytical model of Si 3 N 4 and SiO 2 etching based on the results of quantum chemistry simulations. This paper presents experimental results (etching data and species densities), the reaction mechanism for NF 3 /N 2 /O 2 /H 2 plasmas, and the results of simulations of gas phase chemistry. Quantum chemistry simulations of elementary etching reactions, description of the analytical model of Si 3 N 4 and SiO 2 etching, calculations of the etch rates, and Si 3 N 4 and SiO 2 selectivity with this model are presented in Paper II.

42 ENGINEERING↗
DOE OSTI2020

Biomolecular complex viewed by dynamic nuclear polarization solid-state NMR spectroscopy

Solid-state nuclear magnetic resonance (ssNMR) is an indispensable tool for elucidating the structure and dynamics of insoluble and non-crystalline biomolecules. The recent advances in the sensitivity-enhancing technique magic-angle spinning dynamic nuclear polarization (MAS-DNP) have substantially expanded the territory of ssNMR investigations and enabled the detection of polymer interfaces in a cellular environment. This article highlights the emerging MAS-DNP approaches and their applications to the analysis of biomolecular composites and intact cells to determine the folding pathway and ligand binding of proteins, the structural polymorphism of low-populated biopolymers, as well as the physical interactions between carbohydrates, proteins, and lignin. Furthermore, these structural features provide an atomic-level understanding of many cellular processes, promoting the development of better biomaterials and inhibitors. It is anticipated that the capabilities of MAS-DNP in biomolecular and biomaterial research will be further enlarged by the rapid development of instrumentation and methodology.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Rapid Generation of a Macroscopic Schrödinger Cat State of Atoms with Parity-Independent Orientation

We show that using the process of one-axis-twist squeezing in an echo configuration, it is possible to control the orientation of the macroscopic magnetic moment of a large number of atoms by manipulating the quantum state of a single atom that is physically isolated from the ensemble. With this control technique, it is also possible to entangle an ensemble with a single atom deterministically, which mimics the thought experiment known as the Schrödinger cat. In addition, this technique would make it possible to generate a mesoscopic Schrödinger cat state for a large number of atoms far more rapidly that the conventional process for generating such a state, with an orientation that is independent of the parity of the number of atoms. Apart from the echo configuration, we have also investigated the behavior of one-axis-twist squeezing for some special values of the squeezing parameter. We find that the squeezing propagator can be expressed as the sum of n rotation operators if the product of n and the squeezing parameter equals pi, where n is a non-zero integer. A direct consequence of this property of one-axis-twist squeezing is that there is a hidden order in a squeezed state generated under this condition even if its Husimi quasi-probability distribution looks irregular.

Li, Jinyang↗