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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Designing artificial two-dimensional landscapes via atomic-layer substitution

Significance Manipulating materials with atomic-scale precision is essential for the development of a next-generation material design toolbox. Tremendous efforts have been made to advance the compositional, structural, and spatial accuracy of material deposition and patterning. Here, we presented a new reaction pathway to implement the conversions of two-dimensional materials within the atomic-layer thickness at room temperature for electrical dipole manipulation. Not only could various Janus monolayer transition metal dichalcogenides with vertical dipole be realized, but also some heterostructures, including the dipole-nondipole heterostructures (MoS 2 -MoSSe) and multiheterostructures (MoS 2 -MoSSe-MoSeS-MoSe 2 ) within the same monolayer host structure are developed, in which the dipoles can be selectively patterned to be zero (MoS 2 , MoSe 2 ), positive (MoSSe), and negative (MoSeS).

Guo, Yunfan↗
DOE OSTI2021

Spin-glass dynamics in the presence of a magnetic field: exploration of microscopic properties

The synergy between experiment, theory, and simulations enables a microscopic analysis of spin-glass dynamics in a magnetic field in the vicinity of and below the spin-glass transition temperature T g . The spin-glass correlation length, ξ(t, t w ; T), is analysed both in experiments and in simulations in terms of the waiting time t w after the spin glass has been cooled down to a stabilised measuring temperature T < T g and of the time t after the magnetic field is changed. This correlation length is extracted experimentally for a CuMn 6 at. % single crystal, as well as for simulations on the Janus II special-purpose supercomputer, the latter with time and length scales comparable to experiment. The non-linear magnetic susceptibility is reported from experiment and simulations, using ξ(t, t w ; T) as the scaling variable. Previous experiments are reanalysed, and disagreements about the nature of the Zeeman energy are resolved. The growth of the spin-glass magnetisation in zero-field magnetisation experiments, M ZFC (t, t w ; T), is measured from simulations, verifying the scaling relationships in the dynamical or non-equilibrium regime. Lastly, our preliminary search for the de Almeida–Thouless line in D = 3 is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fluctuations analysis of spin susceptibility: Néel ordering revisited in dynamical mean field theory

Here in this paper, we revisit the antiferromagnetic (AF) phase diagram of the single-band three-dimensional half-filled Hubbard model on a simple cubic lattice studied within the dynamical mean field theory (DMFT). Although this problem has been investigated extensively in the literature, a comprehensive understanding of the impact of the different one- and, in particular, two-particle local correlation functions of DMFT on the AF transition temperature is still missing. We have, hence, performed a fluctuation analysis of T N with respect to different local bosonic fluctuations (charge, spin, particle-particle) contained in the two-particle vertex of DMFT. Our results indicate that, beyond weak coupling, the screening of the DMFT vertex by local fluctuations leads to an enhancement of T N with respect to a random phase approximation (RPA) like calculation where this vertex is replaced by the bare interaction. The overall suppression of T N in DMFT with respect to RPA is then solely due to the incoherence introduced by the DMFT self-energy in the one-particle Green's functions. This illustrates the Janus-faced role of the local moment formation in the DMFT solution of the Hubbard model, which leads to completely opposite effects in the one- and two-particle correlation functions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Interfacial triferroicity in monolayer chromium dihalide

Couplings between different ferroics in two-dimensional (2D) materials, with atomic thickness and van der Waals surface, have been long sought but not yet realized. We show the first-principles evidence of unique triferroic couplings in recently synthesized CrI 2 monolayer. Its ferroelasticity with a low switching barrier stems from the Jahn-Teller effect. When coupled with the interaction of a substrate, a type of interfacial ferroelectricity with direction determined by the ferroelastic states can emerge which can be switched following the same low-barrier pathway of ferroelastic switching. The direction of its striped antiferromagnetism is also governed by its ferroelastic states, leading to a coupling of ferroelasticity, ferroelectricity, and magnetism. Such mechanism of multiferroic couplings, denoted as interfacial Jahn-Teller triferroicity, can be applied to other 2D materials such as CuC l2 and their Janus monolayers, enabling electrical manipulation of spintronics for efficient nonvolatile random-access memories.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Controlling topology through targeted composite symmetry manipulation in magnetic systems

The possibility of selecting magnetic space groups by orienting the magnetization direction or tuning magnetic orders offers a vast playground for engineering symmetry-protected topological phases in magnetic materials. In this work, we study how selective tuning of symmetry and magnetism can influence and control the resulting topology in a two-dimensional magnetic system, and we illustrate such a procedure in the ferromagnetic monolayer MnPSe 3 . Density functional theory calculations reveal a symmetry-protected accidental semimetallic (SM) phase for out-of-plane magnetization, which becomes an insulator when the magnetization is tilted in-plane, reaching band-gap values close to 100 meV. We identify an order-2 composite antiunitary symmetry and threefold rotational symmetry that induce the band crossing, and we classify the possible topological phases using symmetry analysis, which we support with tight-binding and k · p models. Breaking of inversion symmetry opens a gap in the SM phase, giving rise to a Chern insulator. We demonstrate this explicitly in the isostructural Janus compound Mn 2 ⁢P 2 ⁢S 3 ⁢Se 3 , which naturally exhibits Rashba spin-orbit coupling that breaks inversion symmetry. Our results map out the phase space of topological properties of ferromagnetic transition-metal phosphorus trichalcogenides, and they demonstrate the potential of the magnetization-dependent metal-to-insulator transition as a spin switch in integrated two-dimensional electronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Exploring the role of high- j configurations in collective observables through the Coulomb excitation of 106 Cd

In this work, the shape and collectivity of 106 Cd was investigated via a sub-barrier-energy Coulomb excitation experiment performed at the NSCL ReA3 facility using the JANUS setup. Transition matrix elements between low-lying states were found to agree with adopted values, and information on the shape and collectivity of higher-lying states was extracted for the first time. Locally-optimized large-scale shell-model calculations were found to describe well the B(E2) transition strengths but failed to reproduce the spectroscopic quadrupole moments Q s . An analysis of the E2 rotational invariants and the normalized quadrupole moment q s indicates that this may be due to a significant degree of triaxiality in 106 Cd which is not captured by the present shell-model calculations. Analogous calculations for the Fe isotopes (two protons below the Z = 28 magic number) reveal the critical role of high-j neutron configurations for the description of quadrupole moments in the heavy Fe and Cd isotopes (two protons below magic Z = 50), but this effect is insufficient to explain the shape of 106 Cd, posing a puzzle for the understanding of nuclear structure towards N = 50.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Evolution of shape and collectivity along the Ge isotopic chain: The case of 80 Ge

In this work, the shape and collectivity of 80 Ge were investigated via a sub-barrier-energy Coulomb excitation measurement using the JANUS setup at the NSCL ReA3 facility. The 80 Ge spectroscopic quadrupole moment $Q_{s}(2^{+}_{1})$ of the $2^{+}_{1}$ state was measured for the first time, and the precision of the 80 Ge $B(E2; 0^{+}_{1}$ → $2^{+}_{1}$) transition strength was increased. The experimental $Q_{s}(2^{+}_{1})$ value indicates a large, prolate deformation for 80 Ge, which is consistent with large-scale shell-model calculations performed for comparison. These results provide important benchmarks for models that try to describe nuclear shape in neutron-rich nuclei near the magic number N=50.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Scaling Law Describes the Spin-Glass Response in Theory, Experiments, and Simulations

The correlation length ξ, a key quantity in glassy dynamics, can now be precisely measured for spin glasses both in experiments and in simulations. However, known analysis methods lead to discrepancies either for large external fields or close to the glass temperature. We solve this problem by introducing a scaling law that takes into account both the magnetic field and the time-dependent spin-glass correlation length. Here, the scaling law is successfully tested against experimental measurements in a CuMn single crystal and against large-scale simulations on the Janus II dedicated computer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quantifying Memory in Spin Glasses

Rejuvenation and memory, long considered the distinguishing features of spin glasses, have recently been proven to result from the growth of multiple length scales. This insight, enabled by simulations on the Janus II supercomputer, has opened the door to a quantitative analysis. We combine numerical simulations with comparable experiments to introduce two coefficients that quantify memory. A third coefficient has been recently presented by Freedberg et al. Here, we show that these coefficients are physically equivalent by studying their temperature and waiting-time dependence.

36 MATERIALS SCIENCE↗
DOE OSTI2020

JAK inhibition reduces SARS-CoV-2 liver infectivity and modulates inflammatory responses to reduce morbidity and mortality

Using AI, we identified baricitinib as having antiviral and anticytokine efficacy. We now show a 71% (95% CI 0.15 to 0.58) mortality benefit in 83 patients with moderate-severe SARS-CoV-2 pneumonia with few drug-induced adverse events, including a large elderly cohort (median age, 81 years). An additional 48 cases with mild-moderate pneumonia recovered uneventfully. Using organotypic 3D cultures of primary human liver cells, we demonstrate that interferon-α2 increases ACE2 expression and SARS-CoV-2 infectivity in parenchymal cells by greater than fivefold. RNA-seq reveals gene response signatures associated with platelet activation, fully inhibited by baricitinib. Using viral load quantifications and superresolution microscopy, we found that baricitinib exerts activity rapidly through the inhibition of host proteins (numb-associated kinases), uniquely among antivirals. This reveals mechanistic actions of a Janus kinase-1/2 inhibitor targeting viral entry, replication, and the cytokine storm and is associated with beneficial outcomes including in severely ill elderly patients, data that incentivize further randomized controlled trials.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Antitumor T-cell Immunity Contributes to Pancreatic Cancer Immune Resistance

Pancreatic ductal adenocarcinoma (PDAC) is the third leading cause of cancer death in the United States. Pancreatic tumors are minimally infiltrated by T cells and are largely refractory to immunotherapy. Accordingly, the role of T-cell immunity in pancreatic cancer has been somewhat overlooked. Here, we hypothesized that immune resistance in pancreatic cancer was induced in response to antitumor T-cell immune responses and that understanding how pancreatic tumors respond to immune attack may facilitate the development of more effective therapeutic strategies. We now provide evidence that T-cell–dependent host immune responses induce a PDAC-derived myeloid mimicry phenomenon and stimulate immune resistance. Three KPC mouse models of pancreatic cancer were used: the mT3-2D (Kras +/LSL-G12D ; Trp53 +/LSL-R172H ; Pdx1-Cre) subcutaneous and orthotopic models, as well as the KP1 (p48-CRE/LSL-Kras/Trp53 flox/flox ) subcutaneous model. KPC cancer cells were grown in immunocompetent and immunodeficient C57BL/6 mice and analyzed to determine the impact of adaptive immunity on malignant epithelial cells, as well as on whole tumors. We found that induced T-cell antitumor immunity, via signal transducer and activator of transcription 1 (STAT1), stimulated malignant epithelial pancreatic cells to induce the expression of genes typically expressed by myeloid cells and altered intratumoral immunosuppressive myeloid cell profiles. Targeting the Janus Kinase (JAK)/STAT signaling pathway using the FDA-approved drug ruxolitinib overcame these tumor-protective responses and improved anti–PD-1 therapeutic efficacy. Overall, these findings provide future directions for treatments that specifically disable this mechanism of resistance in PDAC.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Discovery Science and Inertial Fusion Energy Research at the Jupiter Laser Facility (Research Performance Progress Report)

The goal of this project is to provide operational support to run the Jupiter Laser Facility within the LaserNetUS network to achieve the following four objectives: • Develop new science, techniques, and platforms for discovery science and IFE research, in partnership with academia, other LaserNetUS nodes, and the greater community. • Advance the development of secondary sources of photons and particles for applications relevant to discovery science and IFE; • Serve as a testbed for new laser, optical, target, and diagnostic capabilities that will advance IFE; • Attract, train, and retain talent in high-energy-density and laser science that will be essential in furthering development of IFE, and help build new collaborations between national laboratory and academic researchers. We have accomplished our four objectives by: • Providing access to the three JLF platforms (Titan, Janus, and COMET) to LaserNetUS users after their proposals have been independently reviewed and ranked by the LaserNetUS PRP; • Providing expertise and technical capabilities to support focused science research thrusts at the facility; • Promoting and maintaining technical relationships and collaborations with other members of the LaserNetUS community to nurture and grow the discovery science and IFE workforce— especially students and early career scientists—on LaserNetUS facilities. • Augmenting JLF with specific improvements while coordinating efforts with LLNL organizations and collaborators to provide users with optimal laser, target, and diagnostic resources to help them maximize technical impact.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Jupiter Laser Facility Annual Report, FY 2025

Dear JLF community, I cannot believe I am now entering my third year as JLF director — time definitely flies when you are having fun! FY25 was another pivotal year for the Jupiter Laser Facility, marked by both scientific achievement and growing visibility for our community. Building on the successful reopening and refurbishment of the facility, we continued to demonstrate how JLF drives innovation in high energy density and fusion energy science, laser technology, and workforce development. Across Janus, Titan, and COMET, users executed a diverse portfolio of experiments, from dynamic compression and opacity measurements to laser plasma interactions, laboratory astrophysics, and advanced diagnostics. These efforts are highlighted in this report, including the development of new probes that capture the time evolution of plasmas on a single shot, and diagnostics and platforms that are already impacting experiments at NIF and other large facilities. JLF continues to serve as both a testbed for new ideas and a bridge to larger scale campaigns. FY25 also showcased the broader role of JLF within the Laboratory and the national HED science ecosystem. The NIF JLF User Groups Meeting in February brought nearly 180 participants to Livermore and highlighted the scientific progress made during JLF’s first full year of renewed operations. JLF research and users were recognized with Director’s Institutional Awards and Early and Mid Career awards, underscoring the quality and impact of the work performed here. Our team also contributed prominently to national conversations about laser safety, plasma physics, and inertial fusion energy through invited talks, conferences, and professional society leadership. JLF’s integration with LaserNetUS deepened this year as well. We launched a new technical exchange program across LaserNetUS facilities and kicked it off with a JLF team visit to the BELLA Center at Lawrence Berkeley National Laboratory. These exchanges are strengthening operations, sharing best practices, and improving the user experience across the network. Filming for the LaserNetUS “Behind the Scenes” series and participation in the annual LaserNetUS meeting further increased the visibility of our facility and our users. At the same time, JLF continues to play a central role in ambitious new programs, such as the Big Aperture Thulium laser effort funded through one of the DOE Office of Science Microelectronics Science Research Centers, which will use JLF infrastructure to explore next generation high rep rate lasers for EUV and x-ray source development. A core part of our mission remains training the next generation of scientists. In FY25, we welcomed another cohort of summer students, who joined experimental teams on Titan and presented their research at LLNL’s student poster symposium and national inertial fusion energy meetings. JLF users and early career scientists showcased their work at conferences across the country, highlighting experiments performed at the facility. These hands on experiences, and the mentoring provided by our staff and user teams, are central to JLF’s identity as a true user facility. Finally, FY25 reinforced JLF’s role as a focal point for partnerships and outreach. We hosted visits from international collaborators, science leaders, and we shared the story of the facility through venues such as the Big Ideas Lab podcast. These interactions help connect our work to a broader scientific and policy audience and open new pathways for collaboration. As we look ahead, the combination of refurbished hardware, new capabilities like STILETTO and enhanced short pulse performance on Titan, strong partnerships across LLNL and LaserNetUS, and a growing user community positions JLF for an even more ambitious program in the coming years. I am deeply grateful to our technical and operations staff for their dedication, to our LLNL partners for their continued support, and to our users for bringing bold, creative ideas to the facility. I look forward to more experiments, capabilities, partnerships, and groundbreaking science in the years to come! With brightest regards, Félicie Albert, JLF Director.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Modeling Solution Drying by Moving a Liquid-Vapor Interface: Method and Applications

A method of simulating the drying process of a soft matter solution with an implicit solvent model by moving the liquid-vapor interface is applied to various solution films and droplets. For a solution of a polymer and nanoparticles, we observe “polymer-on-top” stratification, similar to that found previously with an explicit solvent model. Furthermore, “polymer-on-top” is found even when the nanoparticle size is smaller than the radius of gyration of the polymer chains. For a suspension droplet of a bidisperse mixture of nanoparticles, we show that core-shell clusters of nanoparticles can be obtained via the “small-on-outside” stratification mechanism at fast evaporation rates. “Large-on-outside” stratification and uniform particle distribution are also observed when the evaporation rate is reduced. Polymeric particles with various morphologies, including Janus spheres, core-shell particles, and patchy particles, are produced from drying droplets of polymer solutions by combining fast evaporation with a controlled interaction between the polymers and the liquid-vapor interface. Our results validate the applicability of the moving interface method to a wide range of drying systems. The limitations of the method are pointed out and cautions are provided to potential practitioners on cases where the method might fail.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Surfactant for enhanced oil recovery

A Janus graphene nanosheet (JGN) surfactant formed from a two-dimensional graphene oxide sheet and functionalized to produce an amphiphilic graphene nanosheet. The JGN may be a component of a nanofluid utilized in nanofluid flooding for oil recovery. The JGN may also be used as solid surfactants to form emulsions for oil recovery.

Ren, Zhifeng↗
DOE OSTI2023

Chapter 14: Surface plasmon resonance enhanced artificial photosynthesis of chemical fuels for energy storage

Nanostructured noble metals such as Au, Ag, and Cu have interesting optical properties because of the oscillation motions of their surface electrons upon strong coupling with light under resonance conditions. This resonant oscillation motion of conduction electrons refers to surface plasmon resonance (SPR) and localized SPR (LSPR) when localized near the surface of a nanoparticle. The extinction spectrum of a solution of plasmonic nanoparticles has tunable wavelength responses from UV to NIR due to strong light scattering and absorption which are highly sensitive to the permittivity of the nanoparticles, their sizes and shapes, and chemical environment. Strong light scattering due to the LSPR of plasmonic nanoparticles creates a strong localized and far-field intensity capable of enhancing light absorption characteristics of a chromophore near a plasmonic surface. Engineering the chromophores’ radiative decay dynamics can be done by 1) increasing its radiative decay rate to increase its photoluminescence intensity and 2) increasing its nonradiative decay rates associated to direct charge transfer to the metal surface. Such interesting photophysical properties of a chromophore can be extended to other light-absorbing materials such as semiconductor thin films and nanostructures. This plasmonic effect on the photophysics of a light-absorbing material can be theoretically and experimentally validated. The phenomenon has also been applied to advanced optoelectronic devices such as organic light-emitting diodes (OLED)1 and organic photovoltaics (OPV).2-4 The local field created by the SPR can provide an intense EM field to enhance photoluminescence emission of an organic chromophore5-8 and Raman scattering of an organic molecule, and single-molecule Raman9-10 can be detected on specially designed LSPR substrate. (Figure 1 on SPR for energy) Recent studies suggest that LSPR can be incorporated in light-harvesting and conversion systems to increase energy conversion in a solar cell and photoelectrochemical cell and chemical transformations of CO2 to chemical fuels.11-12 Plasmonic active metals naturally exhibit catalytic activities for electrochemical fuel conversion that can be enhanced by engineering their structures to form unique catalytic structures such as symmetry-broken Au-Cu Janus nanocrystals.13 These studies are critical to addressing the global challenges of energy14-15 and CO2 emission from nonrenewable sources such as coal, petroleum, and natural gas.16-17 Electrochemical systems comprised of unique photonic structures and functions that enable efficient and affordable energy harvesting/conversion/storage are highly desired for providing safe and environment-friendly energy sources. This chapter reviews our recent work of LSPR enabled photoelectrochemical water splitting and recent advances in LSPR-enabled CO2 reduction and photochemical reactions reported in the literature. Scientific and technical challenges of applying LSPR to enhance these energy conversion and storage systems are discussed at the conclusion of this chapter.

Pan, Shanlin↗
DOE OSTI2024

(U) P-Tunnel

presentation for Janus venture management team

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Hydrodynamically Controlled Self‐Organization in Mixtures of Active and Passive Colloids

Abstract Active particles are known to exhibit collective behavior and induce structure in a variety of soft‐matter systems. However, many naturally occurring complex fluids are mixtures of active and passive components. The authors examine how activity induces organization in such multi‐component systems. Mixtures of passive colloids and colloidal micromotors are investigated and it is observed that even a small fraction of active particles induces reorganization of the passive components in an intriguing series of phenomena. Experimental observations are combined with large‐scale simulations that explicitly resolve the near‐ and far‐field effects of the hydrodynamic flow and simultaneously accurately treat the fluid–colloid interfaces. It is demonstrated that neither conventional molecular dynamics simulations nor the reduction of hydrodynamic effects to phoretic attractions can explain the observed phenomena, which originate from the flow field that is generated by the active colloids and subsequently modified by the aggregating passive units. These findings not only offer insight into the organization of biological or synthetic active–passive mixtures, but also open avenues to controlling the behavior of passive building blocks by means of small amounts of active particles.

36 MATERIALS SCIENCE↗