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At least 1,405 records · Page 78

Automated design and optimization of flexible booster autopilots via linear programming. Volume 2: User's manual

COEBRA, the Computerized Optimization of Elastic Booster Autopilots, is an autopilot design program. The bulk of the design criteria is presented in the form of minimum allowed gain/phase stability margins. COEBRA has two optimization phases: (1) a phase to maximize stability margins; and (2) a phase to optimize structural bending moment load relief capability in the presence of minimum requirements on gain/phase stability margins.

Hauser, F. D.↗

Synthesis, characterization and thermochemistry of Cs-, Rb- and Sr-substituted barium aluminium titanate hollandites

Titanate hollandites are of considerable interest for immobilization of radioactive Cs, its daughter product Ba and related radionuclides Rb and Sr. In this work, we synthesized three hollandites, Ba 1.18 Cs 0.21 Al 2.44 Ti 5.53 O 16 , Ba 1.17 Rb 0.19 Al 2.46 Ti 5.53 O 16 and Ba 1.14 Sr 0.10 Al 2.38 Ti 5.59 O 16 , using sol–gel methods. Rietveld analysis of synchrotron XRD data shows that they adopt the tetragonal structure (space group I4/m ), and their cell parameters increase with increasing cation size (Sr 2+ → Rb + → Cs + ). Standard enthalpies of formation of these hollandites were determined from drop solution calorimetric measurements with lead borate as the solvent at 973 K. Their formation enthalpies are similar, consistent with the occurrence of extensive cation substitutions in hollandites. Further energetic analysis with respect to BaTiO 3 and SrTiO 3 perovskites and other oxides reveals decreased thermodynamic stability from Cs- to Rb- to Sr-hollandite. Lastly, this trend is consistent with the phase assemblage observed in Synroc, where Cs + , Rb + and Ba 2+ enter into hollandite, whereas Sr 2+ occurs in perovskite.

36 MATERIALS SCIENCE↗

La-driven morphotropic phase boundary in the Bi(Zn1/2Ti1/2)O3-La(Zn1/2Ti1/2)O3-PbTiO3 solid solution

We explore the Bi(Zn$_{1/2}$Ti$_{1/2}$)O$_3$-La(Zn$_{1/2}$Ti$_{1/2}$)O$_3$-PbTiO$_3$ pseudoternary phase diagram using density functional theory and a solid solution model. We find a region of stability against phase segregation that contains a morphotropic phase boundary. Based on the results we identify a ferroelectrically active composition region that is likely to show strong electro-mechanical response. Furthermore, we find that La replacement for Bi not only lowers the polarization as might be expected, but also shifts the balance from tetragonality towards rhombohedral distortions. This may be of general use in modifying phase diagrams of $A$-site driven perovskite ferroelectric solid solutions to generate new morphotropic phase boundary systems.

Cooper, Valentino R↗

Nonlocal Finite-Depth Circuits for Constructing Symmetry-Protected Topological States and Quantum Cellular Automata

Whether a given target state can be prepared by starting with a simple product state and acting with a finite-depth quantum circuit is a key question in condensed matter physics and quantum information science. It underpins classifications of topological phases, as well as the understanding of topological quantum codes, and has obvious relevance for device implementations. Traditionally, this question assumes that the quantum circuit is made up of unitary gates that are . Inspired by the advent of noisy intermediate-scale quantum devices, we reconsider this question with k - gates, i.e., gates that act on no more than k degrees of freedom but are not restricted to be geometrically local. First, we construct explicit finite-depth circuits of symmetric k -local gates that create symmetry-protected topological (SPT) states from an initial product state. Our construction applies to SPT states protected by global symmetries or subsystem symmetries but not to those with higher-form symmetries, which we conjecture remain nontrivial. Next, we show how to implement arbitrary translationally invariant quantum cellular automata in any dimension using finite-depth circuits of k -local gates. These results imply that the topological classifications of SPT phases and quantum cellular automata both collapse to a single trivial phase in the presence of k -local interactions. We furthermore argue that SPT phases are fragile to k -local symmetric perturbations. We conclude by discussing the implications for other phases, such as fracton phases, and surveying future directions. Our analysis opens a new experimentally motivated conceptual direction examining the stability of phases and the feasibility of state preparation without the assumption of geometric locality. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Measurement of Stability Diagram at IOTA at Fermilab

Nonlinear focusing elements can enhance the stability of particle beams in high-energy colliders by means of Landau Damping, through the tune spread which is introduced. We propose an experiment at Fermilab’s Integrable Optics Test Accelerator (IOTA) to investigate the influence of nonlinear focusing elements on the transverse stability of the beam. In this experiment, we employ an anti-damper, an active transverse feedback system, as a controlled mechanism to induce coherent beam instability. By utilizing the anti-damper, we can examine the impact of the nonlinear focusing element on the beam’s transverse stability. The stability diagram, a tool used to determine the system’s stability, will be measured using a recently demonstrated method at the LHC. This measurement is carried out experimentally by selecting specific threshold gains and measuring them for a range of phases. The stability diagram is represented by gei¿ on the complex plane. The experiment at IOTA adds insight towards the stability diagram measurement method by supplying a reduced machine impedance, to investigate the impedance’s effect on the stability diagram, as well as a larger range of phase measurements.

43 PARTICLE ACCELERATORS↗

Perfection in Nucleation and Growth of Blue-Phase Single Crystals: Small Free-Energy Required to Self-Assemble at Specific Lattice Orientation

Chemically patterned surfaces can be used to selectively stabilize blue phases as macroscopic single crystals with a prescribed lattice orientation. By tailoring the interfacial free energy through the pattern characteristics, it is possible to set, with nanoscale precision, the optimal conditions to induce spontaneously blue-phase crystal nucleation on the patterned substrate where a uniform, defect-free, blue-phase single crystal is finally formed in a matter of seconds. The chemical patterns taken into consideration in this work are made up of alternated stripelike regions of homeotropic and planar anchoring. By varying the stripe pattern dimension, including the period and ratio of the planar/homeotropic anchoring width, it is possible to generate blue-phase I single crystals with (110) lattice orientation and blue-phase II single crystals with either the (100), (110), or (111) lattice orientation. Continuum mean-field calculations of the studied systems serve to explain, in terms of the free energy of the systems, how the pattern dimensions favor certain crystallographic orientations while penalizing the others. We found that a small free-energy difference is sufficient to drive the nucleation and growth of blue phases into a certain lattice orientation. Furthermore, a processing window for obtaining arbitrary large blue-phase single crystals with predesigned lattice orientation, highly aligned reflective peaks, and significantly short forming time is provided here, which is essential for manufacturing and modulating optical devices and photonics.

36 MATERIALS SCIENCE↗

Effects of Nickel Doping on the Multiferroic and Magnetic Phases of MnWO 4

There are various orders in multiferroic materials with a frustrated spiral spin modulation inducing a ferroelectric state are extremely sensitive to small perturbations such as magnetic and electric fields, external pressure, or chemical substitutions. A classical multiferroic, the mineral Hubnerite with chemical formula MnWO 4 , shows three different magnetic phases at low temperature. The intermediate phase between 7.5K < T < 12.7K is multiferroic and ferroelectricity is induced by an inversion symmetry breaking spiral Mn-spin order and strong spin-lattice interactions. Furthermore, the substitution of Ni 2+ (spin 1) for Mn 2+ (spin 5/2) in MnWO 4 and its effects on the magnetic and multiferroic phases are studied. The ferroelectric phase is stabilized for low Ni content (up to 10%). Upon further Ni doping, the polarization in the ferroelectric phase is quickly suppressed while a collinear and commensurate magnetic phase, characteristic of the magnetic structure in NiWO 4 , appears first at higher temperature, gradually extends to lower temperature, and becomes the ground state above 30% doping. Between 10% and 30%, the multiferroic phase coexists with the collinear commensurate phase. In this concentration region, the spin spiral plane is close to the a-b plane which explains the drop of the ferroelectric polarization. Finally, the phase diagram of Mn 1-x Ni x WO 4 is derived by a combination of magnetic susceptibility, specific heat, electric polarization, and neutron scattering measurements.

36 MATERIALS SCIENCE↗

Stabilizing homogeneous CaMn6Sn6via oscillatory crystal growth: structural complexity in a kagome metal

CaMn6Sn6 is a member of the large family of Mn-based kagome metals derived by filling voids of the prototypical CoSn structure. We observed Ca-deficiency and structural complexity, with approximately 10% deficiency of calcium relative to the ideal 166 stoichiometry. These features are common in related Ca-based materials. We find that growth conditions stabilize different phases with varying Curie temperatures. Diffraction and magnetization measurements reveal that conventional growth profiles yield inhomogeneity both within and between crystals in a given batch, whereas an oscillatory temperature profile promotes homogeneous crystals that adopt a superstructure beyond the parent hexagonal structure type. We present the physical properties of crystals grown using the oscillatory approach. The crystals are highly conductive, with a c-axis residual resistivity ratio ρ(300 K)/ρ(2 K) exceeding 100 and a positive, linear magnetoresistance at base temperature. Magnetically, the crystals are quite similar to MgMn6Sn6, with easy-plane ferromagnetic behavior and a Curie temperature of TC ≈ 237 K. These results highlight the critical role of growth conditions in stabilizing homogeneous crystals of complex phases such as Ca0.9Mn6Sn6. The oscillatory growth approach provides an effective route for accessing the intrinsic properties of this complex material and may be broadly useful for the growth of related kagome systems.

May, Andrew [ORNL] (ORCID:0000000307778539)↗

Domain wall stability in ferroelectrics with space charges

Significant effect of semiconductor properties on domain configurations in ferroelectrics is demonstrated, especially in the case of doped materials. Phase field simulations are performed for ferroelectrics with space charges due to donors and electronic charge carriers. The free charges introduced thereby can act as a source for charge compensation at domain walls with uncompensated polarization bound charges. Results indicate that the equilibrium position of a domain wall with respect to its rotation in a head-to-head or a tail-to-tail domain configuration depends on the charge defect concentration and the Fermi level position.

36 MATERIALS SCIENCE↗

ATRP Enhances Structural Correlations In Polymerization–Induced Phase Separation**

Synthetic methods to control the structure of materials at sub–micron scales are typically based on the self–assembly of structural building blocks with precise size and morphology. On the other hand, many living systems can generate structure across a broad range of length scales in one step directly from macromolecules, using phase separation. Here, we introduce and control structure at the nano– and microscales through polymerization in the solid state, which has the unusual capability of both triggering and arresting phase separation. In particular, we show that atom transfer radical polymerization (ATRP) enables control of nucleation, growth, and stabilization of phase–separated poly–methylmethacrylate (PMMA) domains in a solid polystyrene (PS) matrix. ATRP yields durable nanostructures with low size dispersity and high degrees of structural correlations. Furthermore, we demonstrate that the length scale of these materials is controlled by the synthesis parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dependence of the colored frequency noise in spin torque oscillators on current and magnetic field

The nano-scale spin torque oscillator (STO) is a compelling device for on-chip, highly tunable microwave frequency signal generation. Currently, one of the most important challenges for the STO is to increase its longer-time frequency stability by decreasing the 1/f frequency noise, but its high level makes even its measurement impossible using the phase noise mode of spectrum analyzers. Here, we present a custom made time-domain measurement system with 150 MHz measurement bandwidth making possible the investigation of the variation of the 1/f as well as the white frequency noise in a STO over a large set of operating points covering 18–25 GHz. The 1/f level is found to be highly dependent on the oscillation amplitude-frequency non-linearity and the vicinity of unexcited oscillation modes. These findings elucidate the need for a quantitative theoretical treatment of the low-frequency, colored frequency noise in STOs. Based on the results, we suggest that the 1/f frequency noise possibly can be decreased by improving the microstructural quality of the metallic thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural stability and electronic properties of InSb nanowires: A first-principles study

Using first-principles calculations, we investigate the structural stability and electronic properties of InSb nanowires (NWs). The results show that, in contrast to the bulk InSb phase, wurtzite (WZ) NWs are more stable than zinc-blende (ZB) NWs when the NW diameter is smaller than 10 nm. Nonpassivated ZB and WZ NWs are found to be metallic and semiconducting, respectively. After passivation, both ZB and WZ NWs exhibit direct-gap semiconductor character, and the band gap magnitude of the NWs strongly depends on the suppression of surface states by the charge-compensation ability of foreign atoms to surface atoms. Moreover, the carrier mobility of the NW can be strengthened by halogen passivation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Two-leg SU ( 2 n ) spin ladder: A low-energy effective field theory approach

We present a field-theory analysis of a model of two SU( 2n )-invariant magnetic chains coupled by a generic interaction preserving time reversal and inversion symmetry. Contrary to the SU(2)-invariant case the zero-temperature phase diagram of such two-leg spin ladder does not contain topological phases. Thus, only generalized Valence Bond Solid phases are stabilized when n > 1 with different wave vectors and ground-state degeneracies. In particular, we find a phase which is made of a cluster of 2n spins put in an SU( 2n ) singlet state. For n = 3, this cluster phase is relevant to ¹⁷³Yb ultracold atoms, with an emergent SU(6) symmetry, loaded in a double-well optical lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Computer Modeling of Transport of Oxidizing Species in Grain Boundaries during Zirconium Corrosion

Zirconium (Zr) based alloys are widely used as the cladding materials in light-water reactors. The water-side corrosion of these alloys degrades their structural integrity and poses serious safety concerns. During the Zr corrosion process, a thin Zr oxide (ZrO2) layer forms on the alloy surface and serves as a barrier layer for further corrosion. The majority of the oxide has the monoclinic phase. At the transition region between the oxide and the metal, the oxide contains a thin layer of stabilized tetragonal phase. It is found that the texture of the tetragonal layer determines the protectiveness of the oxide for corrosion. The transport of oxidizing species, such as anion defects, cation defects, and electron through the tetragonal oxide layer could be the rate limiting step of the corrosion. The defect diffusion can be affected by the growing stresses and microstructures such as grain boundaries and dislocations. In this work molecular dynamics simulations are used to investigate the anion and cation diffusion in bulk and at grain boundaries in tetragonal ZrO2. The results show that defect diffusion at grain boundaries is complex and the behavior strongly depends on the grain boundary type. For most of the grain boundaries studied the defect diffusion are much slower than in the bulk, implying that grain boundaries may not be fast defect transport paths during corrosion. The connection between the modeling results and published experimental work will also be discussed. This work is funded by the Laboratory Directed Research and Development (LDRD) program at Idaho National Laboratory.

36 MATERIALS SCIENCE↗

Control system design and stability analysis for a three phase SiC-based Filter-less grid-connected PV inverter

In this paper, a control system of a filter-less grid-connected SiC inverter is designed. Stability analysis has been researched with a focus on grid disturbance rejection. The analysis shows that the conventional control method with instantaneous grid voltage feedforward (IGVF) will significantly limit the bandwidth or stability margin of a filter-less grid-connected inverter, thus make the inverter sensitive to grid disturbance. Two proposed grid voltage feedforward control methods, which require little additional computation resources, are presented to suppress the grid voltage disturbance. The design methods of control parameters are derived. The effects of the proposed feedforward methods are also compared with that of conventional IGVF. Lastly, the grid-connected experimental results of a three phase SiC based filter-less PV inverter are provided to verify and compare the proposed control methods.

30 DIRECT ENERGY CONVERSION↗

Blading Phase–Pure Formamidinium–Alloyed Perovskites for High–Efficiency Solar Cells with Low Photovoltage Deficit and Improved Stability

Currently, blade-coated perovskite solar cells (PSCs) with high power conversion efficiencies (PCEs), i.e. greater than 20%, normally employ methylammonium lead tri-iodide with a sub-optimal bandgap. Alloyed perovskites with formamidinium (FA) cation have narrower bandgap and thus enhance device photocurrent. However, FA-alloyed perovskites show low phase stability and high moisture sensitivity. Here, we report that incorporating 0.83 molar percent organic halide salts (OHs) into the perovskite inks enables phase-pure, highly crystalline FA-alloyed perovskites with extraordinary optoelectronic properties. Here, the OH molecules modulate the crystal growth, enhance the phase stability, passivate ionic defects at the surface and/or grain boundaries, and enhance the moisture stability of the perovskite film. We demonstrate a high efficiency of 22.0% under 1 sun illumination for blade-coated PSCs with an open-circuit voltage of 1.18 V, corresponding to a very small voltage deficit of 0.33 V, and significantly improved operational stability with 96% of the initial efficiency retained under one sun illumination for 500 hours.

14 SOLAR ENERGY↗

Identifying Challenges in Safeguards for Metallic Fuel Fabrication Facilities

As new advanced reactors gain popularity, there is an increasing interest in metallic fuel fabrication for fast reactors. While metallic fuels themselves are not a new idea, as many of the first reactors employed metallic fuels, new designs, compositions, and fabrication methods are appearing throughout the nuclear community. As the interest grows and facilities are constructed, both domestic and international safeguards will need to be heavily involved to support safeguards-by-design (SBD) measures from the start. This work compiles a review of historical and modern fuel types and fabrication methods, fabrication processes, safeguards gaps, and potential safeguards solutions. Metallic nuclear fuel types have been around for many decades and were included in some of the first reactors including the Experimental Breeder Reactor (EBR)-I and -II, the Fermi 1 reactor, the Integral Fast Reactor (IFR), and the Dounreay Fast Reactor (DFR). These reactors used various compositions including pure uranium (U) metal, U-zirconium (Zr) alloys, plutonium (Pu)-aluminum (Al) alloys, U-fissium (Fs) alloys, U-Pu-Zr alloys, and U-molybdenum (Mo) alloys [1, 2, 3, 4, 5]. These small alloying additions are included to improve the material properties of the pure U metal. The alpha-phase U (stable below 661C) suffers elongation in one direction causing grain boundary cracking and increasing creep rate due to irradiation growth, thermal cycling, and preferential crystal orientation. It is ideal to utilize the gamma-phase U (typically stable above 769C) by adding small amounts of alloying elements such as Zr or Mo to stabilize this phase down to room temperature [3]. Additionally, some research has been focused on U with transuranic (TRU) elements present, typically coming from the used fuel recycling process. Including these elements in fast reactor fuel can aid in the reduction of nuclear waste by burning minor long-lived actinides. However, the additions of TRU elements can cause concerns to arise when trying to fabrication or safeguard metallic fuels. A typical metallic fuel element is shown in Figure 1. Sodium is added into the cladding to create a thermal bond between the fuel slug and cladding wall. The fuel slug is then inserted and the end plug is welded on to the top of the fuel element. A gas plenum is left to create a headspace for gaseous fission products to escape rather than continue to build in the fuel itself [1, 5]. Other fuel element geometries exist as well, such as the Lightbridge twisted cruciform geometry shown in Figure 2 [6]. This design allows for better cooling performance and provides room for fuel rod swelling without impacting the fuel rod diameter. There are many different fabrication methods for metallic fuels, which is one of the many benefits of these fuel types. Many of these fabrication methods are relatively easy and cost-efficient. The most popular fabrication method is injection casting, sometimes called vacuum induction melting (VIM), shown in Figure 3 [4, 8, 9, 7, 10]. This method was largely used for EBR-II fuel fabrication. The injection casting system is contained inside of a vessel consisting of a Y2O3-coated graphite crucible surrounded by an induction coil with ZrO2-coated quartz molds suspended above the crucible. The fuel feedstock is placed inside of the graphite crucible and melted using the induction furnace. The induction furnace utilizes a dual frequency with the high frequency melting the feedstock and the low frequency causing stirring of the melted feedstock to form a homogeneous mixture. The mixture is heated to approximately 1600C in an argon environment. The vessel is evacuated and then the quartz molds are lowered into the graphite crucible containing the molten metal and the vessel is repressurized to inject the metal fuel upwards into the molds. The molds are removed and then shattered to release the fuel slugs. This fabrication method was used to fabricate 39,000 metallic fuel pins for EBR-II. While injection casting has been the most common metallic fuel fabrication method throughout the decades, many other methods have been explored including low-pressure gravity casting, microwave casting, continuous casting, centrifugal casting, coextrusion, and many others [11, 12, 8, 13, 14, 15]. Some of these methods aim to mitigate challenges that arise with americium (Am) volatilization during the casting process for TRU-containing fuel feedstocks, an issue with injection casting. Coextrusion is one of the methods explored at the Idaho National Laboratory (INL) and has been utilized for the initial fabrication tests of Lightbridge's unique fuels, as well as other metallic fuels with cladding coextruded. In this process, large billets are formed and machined and then inserted into a molten salt bath for approximately 30 minutes. The billets are then loaded into the extrusion press and extruded. This process can be seen in Figure 4 [15].

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗