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Effect of doping on the phase stability and superconductivity in LaH 10

Here, we present a computational investigation into the effects of chemical doping with 15 different elements on phase stability and superconductivity in the LaH 10 structure. Most doping elements were found to induce softening of phonon modes, enhancing electron-phonon coupling and improving critical superconducting temperature while weakening dynamical stability. Unlike these dopants, Ce was found to extend the range of dynamical stability for LaH 10 by eliminating the Van Hove singularity near the Fermi level. The doped compound, La 0.75 Ce 0.25 H 10 , maintains high-temperature superconductivity. We also demonstrate that different Ce doping configurations in the LaH 10 structure have a minimal effect on energetic stability and electron-phonon coupling strength. Our findings suggest that Ce is a promising dopant to stabilize LaH 10 at lower pressures while preserving its high-temperature superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A New Impedance-Based Modeling and Stability Analysis Approach for Power Oscillations Between Grid-Forming Inverters

This paper presents a new modeling and analysis approach to address the small-signal stability issues among interconnected grid-forming (GFM) inverters. A novel phasor domain “power impedance” model is developed to capture the terminal characteristics of GFM inverters. Based on the developed models, a sum-type impedance stability criterion is proposed to analyze the power oscillations between GFM Inverters. The developed models are validated with EMT simulations and the stability analysis results using the proposed stability criterion can match both EMT simulations and eigenvalue analysis. In addition, the application of the developed model can be extended to the stability analysis of large-scale power system with high penetration of GFM inverters.

Liu, Hanchao↗

Characterizing the Stability of NISQ Devices

In this study, we focus on the question of stability of NISQ devices. The parameters that define the device stability profile are motivated by the work of DiVincenzo in [9] where the requirements for physical implementation of quantum computing are discussed. We develop the metrics and theoretical framework to quantify the DiVincenzo requirements and study the stability of those key metrics. The basis of our assessment is histogram similarity (in time and space). For identical experiments, devices which produce reproducible histograms in time, and similar histograms in space, are considered more reliable. To investigate such reliability concerns robustly, we propose a moment-based distance (MBD) metric. We illustrate our methodology using data collected from IBM's Yorktown device. Two types of assessments are discussed: spatial stability and temporal stability.

Dasgupta, Samudra↗

Microgrid Stability Definitions, Analysis, and Examples

This document is a summary of a report prepared by the IEEE PES Task Force (TF) on Microgrid Stability Definitions, Analysis, and Modeling [1], which defines concepts and identifies relevant issues related to stability in microgrids. In this paper, definitions and classification of microgrid stability are presented and discussed, considering pertinent microgrid features such as voltage-frequency dependency, unbalancing, low inertia, and generation intermittency. A few examples are also presented, highlighting some of the stability classes defined in the paper. Further examples, along with discussions on microgrid components modeling and stability analysis tools can be found in the TF report.

Farrokhabadi, Mostafa↗

Phase transitions in compact stars. Problem of micro and macro stability

Problem of microscopic stability of dense matter in the case of a phase transition to the new, dense phase (for example quark matter) is discussed. An analysis of the constraints resulting from the observations of 2M{sub ⊙} pulsars and the consequences for a stiffness of a dense phase are presented. This may lead to the instability with respect to reconversion to the basic nuclear phase before reaching maximum mass. Macroscopic stability is defined as a dynamical stability with respect to radial oscillations (in the case of rotating star—axi-symmetric pulsations). The conditions for the stability of the star with a small, dense core of new phase are discussed and the universality of the stability properties of the families of rotating neutron stars is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Engineered IL-18 variants with half-life extension and improved stability for cancer immunotherapy

Background The pro-inflammatory cytokine, interleukin-18 (IL-18), plays an instrumental role in bolstering anti-tumor immunity. However, the therapeutic application of IL-18 has been limited due to its susceptibility to neutralization by IL-18 binding protein (IL-18BP), short in vivo half-life, and unfavorable physicochemical properties. Methods In order to overcome the poor drug-like properties of IL-18, we installed an artificial disulfide bond, removed the native, unpaired cysteines, and fused the stabilized cytokine to an IgG Fc domain. The stability, potency, pharmacokinetic and pharmacodynamic properties as well as efficacy of disulfide-stabilized IL-18 Fc-fusion (dsIL-18-Fc) were assessed via in vitro and in vivo studies. Results The stability and mammalian host cell production yields of dsIL-18-Fc were improved, compared to the wild-type (WT) cytokine, while maintaining its biological potency and interactions with IL-18 receptor α (IL-18Rα) and IL-18BP. Recombinant fusion of the cytokine to an IgG Fc domain provided extended half-life. Notably, despite maintaining sensitivity to IL-18BP, dsIL-18-Fc was effective at activating both T and natural killer (NK) cells, and elicited a strong anti-tumor response, either as a single agent, or in conjunction with anti-programmed cell death-ligand 1 (anti-PD-L1) therapy. Conclusions We engineered IL-18 for reinforced stability, extended half-life, and improved manufacturability. The therapeutic benefit of dsIL-18-Fc, coupled with a more favorable manufacturability profile and enhanced drug-like properties, underscores the potential utility of this engineered cytokine in cancer immunotherapy.

Immunology↗

Improved Stability of a Model IgG3 by DoE-Based Evaluation of Buffer Formulations

Formulating appropriate storage conditions for biopharmaceutical proteins is essential for ensuring their stability and thereby their purity, potency, and safety over their shelf-life. Using a model murine IgG3 produced in a bioreactor system, multiple formulation compositions were systematically explored in a DoE design to optimize the stability of a challenging antibody formulation worst case. The stability of the antibody in each buffer formulation was assessed by UV/VIS absorbance at 280 nm and 410 nm and size exclusion high performance liquid chromatography (SEC) to determine overall solubility, opalescence, and aggregate formation, respectively. Upon preliminary testing, acetate was eliminated as a potential storage buffer due to significant visible precipitate formation. An additional 2 4 full factorial DoE was performed that combined the stabilizing effect of arginine with the buffering capacity of histidine. From this final DoE, an optimized formulation of 200 mM arginine, 50 mM histidine, and 100 mM NaCl at a pH of 6.5 was identified to substantially improve stability under long-term storage conditions and after multiple freeze/thaw cycles. Therefore, our data highlights the power of DoE based formulation screening approaches even for challenging monoclonal antibody molecules.

59 BASIC BIOLOGICAL SCIENCES↗

Structure and stabilization of hydrogen-rich transverse jets in a vitiated turbulent flow

This paper reports the results of a joint experimental and numerical study of the ow characteristics and flame stabilization of a hydrogen rich jet injected normal to a turbulent, vitiated cross ow of lean methane combustion products. Simultaneous high-speed stereoscopic PIV and OH PLIF measurements were obtained and analyzed alongside three-dimensional direct numerical simulations of inert and reacting JICF with detailed H 2 /CO chemistry. Both the experiment and the simulation reveal that, contrary to most previous studies of reacting JICF stabilized in low-to-moderate temperature air cross ow, the present conditions lead to an autoigniting, burner-attached flame that initiates uniformly around the burner edge. Significant asymmetry is observed, however, between the reaction zones located on the windward and leeward sides of the jet, due to the substantially different scalar dissipation rates. The windward reaction zone is much thinner in the near field, while also exhibiting significantly higher local and global heat release than the much broader reaction zone found on the leeward side of the jet. The unsteady dynamics of the windward shear layer, which largely control the important jet/cross flow mixing processes in that region, are explored in order to elucidate the important flow stability implications arising in the reacting JICF. Vorticity spectra extracted from the windward shear layer reveal that the reacting jet is globally unstable and features two high frequency peaks, including a fundamental mode whose Strouhal number of ~0.7 agrees well with previous non-reacting JICF stability studies. The paper concludes with an analysis of the ignition, ame stabilization, and global structure of the burner-attached flame. Chemical explosive mode analysis (CEMA) shows that the entire windward shear layer, and a large region on the leeward side of the jet, are highly explosive prior to ignition and are dominated by non-premixed flame structures after ignition. The predominantly mixing limited nature of the flow after ignition is confirmed by computing the Takeno flame index, which shows that ~70% of the heat release occurs in non-premixed regions.

33 ADVANCED PROPULSION SYSTEMS↗

Cost-effective Manufacturing and Morphological Stabilization of Nanostructured Cathodes for Commercial SOFCs

The overall goals of the program were to develop methods for preparing and stabilizing SOFC electrodes by infiltration that can be manufactured on a practical scale, then transfer those methods to cells in stacks. Cathodes prepared by infiltration of nanoparticles into a porous scaffold of the electrolyte have demonstrated outstanding electrochemical performance and mechanical strength but are difficult to manufacture due to the large number of infiltration steps required to produce a conductive composite and show poor stability due to sintering of the nanoparticles. At Penn, the main goal was to develop a fabrication method that uses only a small number of infiltration steps. Infiltration with molten salts and electrodeposition were pursued but deemed impractical. A method in which an electronically conductive scaffold consisted of a composite of a mixed conductor, LSF (La 0.9 Sr 0.1 FeO 3 ), with yttria-stabilized zirconia (YSZ) was found to be promising. While some cation mixing between LSF and YSZ was observed during calcination, there was no evidence for new phases in XRD and incorporation of Zr into the perovskite could be minimized by reducing the Sr content of the LSF. To stabilize nanoparticles infiltrated into the LSF-YSZ composite scaffold, the USC team examined the effects of Atomic Layer Deposition with ZrO 2 and infiltrated nanoparticles. Significantly enhanced stability was observed with the infiltrated nanoparticles. The FuelCell Energy team prepared 4”x4” cells in which an LSF-YSZ composite scaffold was cofired with the YSZ electrolyte and infiltrated with LSCF nanoparticles. Apparently because the LSF-YSZ scaffold layer was very thin in this case, the cation mixing that occurred during calcination resulted in a poor scaffold-electrolyte interface which caused reduced performance.

36 MATERIALS SCIENCE↗

Standoff Over the LRSO: Assessing the long-range stand-off missile's impact on strategic stability.

Mutual vulnerability to strategic forces seems to remain the de facto foundation for strategic stability across the U.S.-Russia and U.S.-China dyadic relationships; This work has suggested the bomber force tasked with delivering the LRSO is characterized by relatively long flight times and rich signature sets which make its use inconsistent with the requirements for a disarming first-strike. Therefore, the LRSO would not be expected to disrupt mutual vulnerability by making a disarming strike more possible or attractive; Even if a stealthy air-launched cruise missile is paired with a stealth bomber aircraft, the signatures associated with bomber generation and aerial refueling from non-stealth tanker aircraft make it unlikely the LRSO could be launched against a peer or near-peer nation-state without advance warning; To the extent a nuclear armed air-launched cruise missile deters would-be U.S. adversaries from nuclear use, maintaining a survivable weapon system is crucial for maintaining that stable deterrent effect. A modern stand-off weapon and stealth delivery platform increase the probability this capability will be maintained in the future against other nations' increasingly capable A2/AD systems; The LRSO has been touted as a flexible option to deter, or conduct should deterrence fail, limited nuclear strikes pursuant to Russia's reported "escalate-to-deescalate" doctrine. The concept of limited nuclear use is still intensely debated, and there is no guarantee that escalation could be controlled even with tailored LRSO employment; The challenge of warhead discrimination has not historically led to a nuclear response to a cruise missile launch, but there is no guarantee that cannot change. Having accurate military intelligence coupled with discerning analysis of the context in which cruise missiles are employed (e.g., how escalated is the conflict, how many missiles have been launched, have there been signatures of strategic force mobilization, or has the nuclear threshold been crossed?) will likely be essential for reducing the danger of misperception. Developing norms and/or communication channels in the aforementioned dyadic relationships may also further these ends. In sum, this work has identified and analyzed many of the major arguments in the debate regarding the LRSO's impact on strategic stability. During this study and survey of other nation's conceptions of strategic stability, it became clear that the LRSO is neither inherently stabilizing or destabilizing; rather, it is one instrument in addition to unambiguous U.S. policy, clear messaging, and signaling of intent that may promote stability by reducing the risk of miscalculation and unintended escalation.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Cost-effective Manufacturing and Morphological Stabilization of Nanostructured Cathodes for Commercial Solid Oxide Fuel Cells (SOFCs) [Slides]

The overall goals of the program were to develop methods for preparing and stabilizing SOFC electrodes by infiltration that can be manufactured on a practical scale, then transfer those methods to cells in stacks. Cathodes prepared by infiltration of nanoparticles into a porous scaffold of the electrolyte have demonstrated outstanding electrochemical performance and mechanical strength but are difficult to manufacture due to the large number of infiltration steps required to produce a conductive composite and show poor stability due to sintering of the nanoparticles. At Penn, the main goal was to develop a fabrication method that uses only a small number of infiltration steps. Infiltration with molten salts and electrodeposition were pursued but deemed impractical. A method in which an electronically conductive scaffold consisted of a composite of a mixed conductor, LSF (La 0.9 Sr 0.1 FeO 3 ), with yttria-stabilized zirconia (YSZ) was found to be promising. While some cation mixing between LSF and YSZ was observed during calcination, there was no evidence for new phases in XRD and incorporation of Zr into the perovskite could be minimized by reducing the Sr content of the LSF. To stabilize nanoparticles infiltrated into the LSF-YSZ composite scaffold, the USC team examined the effects of Atomic Layer Deposition with ZrO 2 and infiltrated nanoparticles. Significantly enhanced stability was observed with the infiltrated nanoparticles. The FuelCell Energy team prepared 4”x4” cells in which an LSF-YSZ composite scaffold was cofired with the YSZ electrolyte and infiltrated with LSCF nanoparticles. Apparently because the LSF-YSZ scaffold layer was very thin in this case, the cation mixing that occurred during calcination resulted in a poor scaffold-electrolyte interface which caused reduced performance.

30 DIRECT ENERGY CONVERSION↗

New High-Entropy Perovskite Oxides with Increased Reducibility and Stability for Thermochemical Hydrogen Generation

This project aims to design, synthesize, and test a transformative class of High-Entropy Perovskite Oxides (HEPOs) as redox oxides to enable thermochemical hydrogen generation with improved stability, kinetics, and efficiency. These developed HEPOs are expected to demonstrate improved kinetics with oxygen surface exchange coefficient ( k > 7.5×10 -4 cm/s) in Budget Period (BP) 1, retain its structural stability in a broad range of oxygen non-stoichiometry (Δδ > 0.15) at a low operating reduction temperature of T red < 1400°C in BP 2, and deliver a H 2 yield of over 400 µmol per gram of oxide and high stability with less than 20% degradation after at least 50 cycles in BP 3. This project is feasible due to the unique thermodynamic properties (simultaneously increased reducibility and phase stability) and kinetic characters (stability against particle coarsening and potentially enhanced oxygen transport and surface reaction kinetics) of such HEPOs, and it is enabled by a unique active learning computational design approach. Computational studies have been conducted to investigate the oxygen vacancy formation in complex perovskite systems. * Accurate prediction of V O .. concentration with disordered A-site cations in Fe-based high-entropy perovskite oxides * Combined MC/DFT computation elucidates the mechanism of Co preference on the redox due to the strain introduced by local distortion. In this project, we explored a large number (~150) of perovskite compositions, which are listed in Tables 2 – 4). * All perovskite specimens have been synthesized through a high-throughput high-energy ball milling process, followed by the conventional sintering process. * XRD, SEM/EDS and TGA were performed to confirm the crystal structure, phase homogeneity and oxygen non-stoichiometry for compositionally complex perovskite oxides (CCPOs). * 110 compositions show single-phase from XRD * Unusual aliovalent doping effects in medium-entropy perovskite compositions. * V-shape relation between Δδ vs. x (La 1-x Sr x )(Mn 1/3 Fe 1/3 Ti 1/3 )O 3 * The highest reported hydrogen production for the CCPOs made in this project ( T re = 1350 ºC 30 min, T Ox = 1100 ºC 30 min) * B-site mixing (La 0.8 Sr 0.2 )(Mn 0.2 Fe 0.2 Co 0.4 Al 0.2 )O 3 : 89.97 ± 2.73 mmol H2 /mol oxide (395 ± 10 μmol/g oxide ) (i) No phase transformation during reactions when Co molar ratio is less than 61% (ii) Balance between intrinsic kinetics (oxygen surface exchange) and thermodynamics (oxygen non-stoichiometry) (iii) Preference of Co identified by in-situ XPS * A-site mixing (La 1/6 Pr 1/6 Nd 1/6 Gd 1/6 Ba 1/6 Sr1/6)MnO 3 : 98.48 mmol H2 /mol oxid e (~415 μmol/g oxide )

08 HYDROGEN↗

The Stability of a Nanoparticle Diamond Lattice Linked by DNA

The functionalization of nanoparticles (NPs) with DNA has proven to be an effective strategy for self-assembly of NPs into superlattices with a broad range of lattice symmetries. By combining this strategy with the DNA origami approach, the possible lattice structures have been expanded to include the cubic diamond lattice. This symmetry is of particular interest, both due to the inherent synthesis challenges, as well as the potential valuable optical properties, including a complete band-gap. Using these lattices in functional devices requires a robust and stable lattice. Here, we use molecular simulations to investigate how NP size and DNA stiffness affect the structure, stability, and crystallite shape of NP superlattices with diamond symmetry. We use the Wulff construction method to predict the equilibrium crystallite shape of the cubic diamond lattice. We find that, due to reorientation of surface particles, it is possible to create bonds at the surface with dangling DNA links on the interior, thereby reducing surface energy. Consequently, the crystallite shape depends on the degree to which such surface reorientation is possible, which is sensitive to DNA stiffness. Further, we determine dependence of the lattice stability on NP size and DNA stiffness by evaluating relative Gibbs free energy. We find that the free energy is dominated by the entropic component. Increasing NP size or DNA stiffness increases free energy, and thus decreases the relative stability of lattices. On the other hand, increasing DNA stiffness results in a more precisely defined lattice structure. Thus, there is a trade off between structure and stability of the lattice. Our findings should assist experimental design for controlling lattice stability and crystallite shape.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluating the Dynamical Stability of Outer Solar System Objects in the Presence of Planet Nine

Here, we evaluate the dynamical stability of a selection of outer solar system objects in the presence of the proposed new solar system member Planet Nine. We use a Monte Carlo suite of numerical N-body integrations to construct a variety of orbital elements of the new planet and evaluate the dynamical stability of eight trans-Neptunian objects (TNOs) in the presence of Planet Nine. These simulations show that some combinations of orbital elements ($a,e$) result in Planet Nine acting as a stabilizing influence on the TNOs, which can otherwise be destabilized by interactions with Neptune. These simulations also suggest that some TNOs transition between several different mean-motion resonances during their lifetimes while still retaining approximate apsidal antialignment with Planet Nine. This behavior suggests that remaining in one particular orbit is not a requirement for orbital stability. As one product of our simulations, we present an a posteriori probability distribution for the semimajor axis and eccentricity of the proposed Planet Nine based on TNO stability. This result thus provides additional evidence that supports the existence of this proposed planet. We also predict that TNOs can be grouped into multiple populations of objects that interact with Planet Nine in different ways: one population may contain objects like Sedna and 2012 VP 113 , which do not migrate significantly in semimajor axis in the presence of Planet Nine and tend to stay in the same resonance; another population may contain objects like 2007 TG 422 and 2013 RF 98 , which may both migrate and transition between different resonances.

79 ASTRONOMY AND ASTROPHYSICS↗

Local Stability and Global Instability in Iron-opaque Disks

The thermal stability of accretion disks and the possibility of seeing a limit-cycle behavior strongly depends on the ability of the disk plasma to cool down. Various processes connected with radiation–matter interaction appearing in hot accretion disk plasma contribute to opacity. For the case of geometrically thin and optically thick accretion disks, we can estimate the influence of several different components of function κ, given by the Roseland mean. In the case of high temperatures of ∼10{sup 7} K, the electron Thomson scattering is dominant. At lower temperatures, atomic processes become important. The slope dlogκ/dlogT can have a locally stabilizing or destabilizing effect on the disk. Although the local MHD simulation postulates the stabilizing influence of the atomic processes, only the global time-dependent model can reveal the global disk stability range estimation. This is due to the global diffusive nature of those processes. In this paper, using the previously tested GLADIS code with a modified prescription of the viscous dissipation, we examine the stabilizing effect of the iron opacity bump.

79 ASTRONOMY AND ASTROPHYSICS↗

Downwinding for preserving strong stability in explicit integrating factor Runge-Kutta methods

Here strong stability preserving (SSP) Runge-Kutta methods are desirable when evolving in time problems that have discontinuities or sharp gradients and require nonlinear non-inner-product stability properties to be satisfied. Unlike the case for L 2 linear stability, implicit methods do not significantly alleviate the time-step restriction when the SSP property is needed. For this reason, when handling problems with a linear component that is stiff and a nonlinear component that is not, SSP integrating factor Runge-Kutta methods may offer an attractive alternative to traditional time-stepping methods. The strong stability properties of integrating factor Runge-Kutta methods where the transformed problem is evolved with an explicit SSP Runge-Kutta method with non-decreasing abscissas was recently established. However, these methods typically have smaller SSP coefficients (and therefore a smaller allowable time-step) than the optimal SSP Runge-Kutta methods, which often have some decreasing abscissas. In this work, we consider the use of downwinded spatial operators to preserve the strong stability properties of integrating factor Runge-Kutta methods where the Runge-Kutta method has some decreasing abscissas. We present the SSP theory for this approach and present numerical evidence to show that such an approach is feasible and performs as expected. However, we also show that in some cases the integrating factor approach with explicit SSP Runge-Kutta methods with non-decreasing abscissas performs nearly as well, if not better, than with explicit SSP Runge-Kutta methods with downwinding. In conclusion, while the downwinding approach can be rigorously shown to guarantee the SSP property for a larger timestep, in practice using the integrating factor approach by including downwinding as needed with optimal explicit SSP Runge-Kutta methods does not necessarily provide significant benefit over using explicit SSP Runge-Kutta methods with non-decreasing abscissas.

97 MATHEMATICS AND COMPUTING↗

The significant impact of aerosol vertical structure on lower atmosphere stability and its critical role in aerosol–planetary boundary layer (PBL) interactions

The aerosol–planetary boundary layer (PBL) interaction was proposed as an important mechanism to stabilize the atmosphere and exacerbate surface air pollution. Despite the tremendous progress made in understanding this process, its magnitude and significance still have large uncertainties and vary largely with aerosol distribution and meteorological conditions. In this study, we focus on the role of aerosol vertical distribution in thermodynamic stability and PBL development by jointly using micropulse lidar, sun photometer, and radiosonde measurements taken in Beijing. Despite the complexity of aerosol vertical distributions, cloud-free aerosol structures can be largely classified into three types: well-mixed, decreasing with height, and inverse structures. The aerosol–PBL relationship and diurnal cycles of the PBL height and PM 2.5 associated with these different aerosol vertical structures show distinct characteristics. The vertical distribution of aerosol radiative forcing differs drastically among the three types, with strong heating in the lower, middle, and upper PBL, respectively. Such a discrepancy in the heating rate affects the atmospheric buoyancy and stability differently in the three distinct aerosol structures. Absorbing aerosols have a weaker effect of stabilizing the lower atmosphere under the decreasing structure than under the inverse structure. As a result, the aerosol–PBL interaction can be strengthened by the inverse aerosol structure and can be potentially neutralized by the decreasing structure. Moreover, aerosols can both enhance and suppress PBL stability, leading to both positive and negative feedback loops. This study attempts to improve our understanding of the aerosol–PBL interaction, showing the importance of the observational constraint of aerosol vertical distribution for simulating this interaction and consequent feedbacks.

54 ENVIRONMENTAL SCIENCES↗

Frequency stabilization of a high power argon laser.

A technique for frequency stabilizing a high power, single frequency argon laser is described which offers certain advantages over those that have already been reported. This system is capable of maintaining a relative short term frequency stability of the order of plus or minus two parts in one billion and a long term stability (2 hr) of about plus or minus five parts in one billion for the 5145-A line at a power level of 750 mW. This short and long term stability is achieved by means of a multiple feedback loop composed of an optical cavity discriminator which is stabilized against an iodine vapor absorption line.

Hohimer, J. P.↗