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At least 397 records · Page 22

Adaptive variational quantum dynamics simulations with compressed circuits and fewer measurements

The adaptive variational quantum dynamics simulation (AVQDS) method performs real-time evolution of quantum states using automatically generated parametrized quantum circuits that often contain substantially fewer gates than Trotter circuits. Here we report an improved version of the method, which we call AVQDS(T), by porting the tiling efficient trial circuits with rotations implemented simultaneously technique. The algorithm adaptively adds layers of disjoint unitary gates to the ansatz circuit so as to keep the McLachlan distance, a measure of the accuracy of the variational dynamics, below a fixed threshold. Here we perform benchmark noiseless AVQDS(T) simulations of quench dynamics in local spin models and compare with an alternative adaptive variational approach on quantum resource requirement. Quantum dynamical simulations implementing realistic noise channels are also reported. Finally, we propose a way to substantially alleviate the measurement overhead of AVQDS(T) while maintaining high accuracy by synergistically integrating quantum circuit calculations on quantum processing units with classical calculations using, e.g., tensor networks to evaluate the quantum geometric tensor. We showcase that this approach enables AVQDS(T) to deliver more accurate results than simulations using a fixed ansatz of comparable final depth for a significant time duration with fewer quantum resources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Linear Reciprocating Tribometer for In Situ Neutron Reflectometry of Soft Matter

Neutron reflectometry is a technique for measuring structure near planar interfaces that has been previously used to non-destructively characterize the polymer density of hydrated, dilute, and soft materials. Previous investigations have conducted neutron reflectometry measurements of liquids, gels, emulsion, and polymer solutions at rest, in compression, and subject to shear stress. However, correlating structure with tribological properties of soft materials presents significant experimental challenges for prior instruments due to wall slip, sample thickness, and structural heterogeneity (e.g., depth-wise gradients). A linear reciprocating tribometer offers several advantages for in situ neutron reflectometry studies, including uniform velocity profiles, constant shear stress over large regions of interest, and independent control of normal force and sliding velocity during measurements. This work outlines basic considerations for the design of a custom linear reciprocating tribometer that operates in a neutron beamline and includes commissioning measurements. The tribometer is designed to compress soft and hydrated materials against linearly reciprocating silicon disks. The three key design considerations for this tribometer are (1) safety, (2) neutron transmission, and (3) sample positioning. This instrument design will enable in situ studies of soft matter and illuminate the role of interfacial structure on tribological phenomena.

42 ENGINEERING↗

How cholesterol stiffens unsaturated lipid membranes

Cholesterol is an integral component of eukaryotic cell membranes and a key molecule in controlling membrane fluidity, organization, and other physicochemical parameters. It also plays a regulatory function in antibiotic drug resistance and the immune response of cells against viruses, by stabilizing the membrane against structural damage. While it is well understood that, structurally, cholesterol exhibits a densification effect on fluid lipid membranes, its effects on membrane bending rigidity are assumed to be nonuniversal; i.e., cholesterol stiffens saturated lipid membranes, but has no stiffening effect on membranes populated by unsaturated lipids, such as 1,2-dioleoyl- sn -glycero-3-phosphocholine (DOPC). This observation presents a clear challenge to structure–property relationships and to our understanding of cholesterol-mediated biological functions. Here, using a comprehensive approach—combining neutron spin-echo (NSE) spectroscopy, solid-state deuterium NMR ( 2 H NMR) spectroscopy, and molecular dynamics (MD) simulations—we report that cholesterol locally increases the bending rigidity of DOPC membranes, similar to saturated membranes, by increasing the bilayer’s packing density. All three techniques, inherently sensitive to mesoscale bending fluctuations, show up to a threefold increase in effective bending rigidity with increasing cholesterol content approaching a mole fraction of 50%. Our observations are in good agreement with the known effects of cholesterol on the area-compressibility modulus and membrane structure, reaffirming membrane structure–property relationships. The current findings point to a scale-dependent manifestation of membrane properties, highlighting the need to reassess cholesterol’s role in controlling membrane bending rigidity over mesoscopic length and time scales of important biological functions, such as viral budding and lipid–protein interactions.

59 BASIC BIOLOGICAL SCIENCES↗

Femtosecond Compression Dynamics and Timing Jitter Suppression in a THz-driven Electron Bunch Compressor

Herein we present the first demonstration of THz driven bunch compression and timing stabilization of a relativistic electron beam. Quasi-single-cycle strong field THz radiation is used in a shorted parallel-plate structure to compress a few-fC beam with 2.5 MeV kinetic energy by a factor of 2.7, producing a 39 fs rms bunch length and a reduction in timing jitter by more than a factor of 2 to 31 fs rms. This THz driven technique offers a significant improvement to beam performance for applications like ultrafast electron diffraction, providing a critical step towards unprecedented timing resolution in ultrafast sciences, and other accelerator applications using femtosecond-scale electron beams.

43 PARTICLE ACCELERATORS↗

Radchem and GRH as areal density diagnostics at NIF

It would be very useful to have a measure of the compression of the tungsten shell in double shell implosions. Two methods of doing this are: • Radchem, in which the number of atoms produced in a neutron-induced reaction on a dopant in the shell are counted (D. C. Wilson, 2017), and • GRH techniques, in which the number of g-rays produced in a (different) neutroninduced reaction on the shell material are counted (Hoffman, 2010).

74 ATOMIC AND MOLECULAR PHYSICS↗

A Sustainable and Environmentally Friendly Concrete for Structural Applications

The purpose of this study is to utilize waste products—precipitated calcium carbonate (PCC) and upcycled recycled concrete aggregate (upcycled RCA or UCA)—in civil works projects. To do so, tests must be performed to determine the engineering properties of the materials in which PCC and UCA are sequestered. PCC is a fine to coarse grain waste product generated during the production of sugar from sugar beets. UCA is produced from demolished and returned concrete by the extraction of primarily calcium and alkalinity. The study also includes the use of both PCC and UCA in the same concrete mix design. The test results on PCC alone show that the optimum content to achieve a minimum 28 MPa (4000 psi) compressive strength is 25% and 30%. The corresponding compressive strength of mixes in which conventional aggregate was replaced by UCA is about 48 MPa (7000 psi) to 55 MPa (8000 psi) at the same water: cement ratio (0.44) by weight. The compressive strength of concrete with 25% to 30% cement replaced by PCC and varying aggregates replaced with UCA ranges from 19.3 to 40 MPa (2800 to 5800 psi). Other tests on PCC and UCA include tensile strength of 2 to 3 MPa (293 to 423 psi) and flexural strength of 1.3 to 1.9 MPa (183 to 279 psi). Analytical techniques such as X-ray diffraction (XRD), energy-dispersive X-ray spectrometry (EDX), and scanning electron microscopy (SEM) were used to identify the constituent elements and chemical compounds present in PCC, including calcium carbonate and silica. Based on the test results, the composition of PCC by weight indicates 45.9% calcium, 39.4% oxygen, and 9.2% carbon. Based on the results of this study, we can expect to reduce carbon emissions in the production of cement and aggregates, as well as utilize waste products in the civil engineering field.

42 ENGINEERING↗

Examining infrared thermography based approaches to rapid fatigue characterization of additively manufactured compression molded short fiber thermoplastic composites

A novel additive manufacturing (AM) methodology combined with a compression molding (CM) process has been developed to optimize the microstructure of short fiber thermoplastic composites (SFTs)with higher fiber alignment and lower porosity, yielding superior stiffness, strength, and structural integrity. Here, the current work examines the efficacy of the ‘passive’ infrared thermography (IRT) techniques for rapid fatigue characterization of SFTs that use the surface temperature evolution during cyclic loading due to self-heating as a fatigue indicator. A comparison of fatigue limits obtained from traditional stress-life (SN) (≈53.1%σ uts ) and IRT (≈54.1%σ uts ) shows a close match. However, the SN curve required 18 specimens and two weeks of continuous cyclic testing, while IRT used three specimens with 5 hours of testing. Thus, the IRT approach provides an accelerated testing framework for rapidly estimating the fatigue limit. Additionally, existing phenomenological approaches to IRT fatigue characterization have been examined.

42 ENGINEERING↗

Quantifying particle-scale 3D granular dynamics during rapid compaction from time-resolved in situ 2D x-ray images

Understanding the particle-scale dynamics of granular materials during rapid compaction and flow is of fundamental importance for manufacturing, planetary science, geology, and defense applications. Time-resolved 2D radiography and static 3D x-ray tomography are powerful in situ tools for studying particle-scale dynamics but provide detail only in 2D or with significant time-scale limitations, respectively. Here, we introduce a new method that uses 2D in situ x-ray imaging for determining time-resolved 3D particle-scale dynamics in rapidly compressed granular materials. The method employs initial particle packing structures obtained from x-ray tomography, a 2D x-ray image generation algorithm, and an optimization algorithm. We first describe and validate the method using finite element simulations. Furthermore, we then apply the technique to x-ray phase-contrast images obtained during rapid compaction of granular materials with varying particle morphology and sample thickness. The depth-resolved particle-scale dynamics reveal complex velocity and porosity fields evolving heterogeneously along and perpendicular to the compaction direction. We characterize these features, their fluctuations near the compaction front, and the compaction front thickness. Our technique can be applied to understanding granular dynamics during rapid compaction events, and rearrangements during slower, but non-quasi-static, flows.

36 MATERIALS SCIENCE↗

Shock Initiation Microscopy with High Time and Space Resolution

In this paper, we describe studies of shock initiation and shock-to-detonation transitions in energetic materials using a tabletop shock compression microscope with nanosecond time resolution and micrometer spatial resolution. Planar input shocks with durations of 4–20 ns are produced using 0–4.5 km/s laser-launched flyer plates. Emphasis is on measurements of temperature, velocities, pressure, and microstructure using photon Doppler velocimetry (PDV), optical pyrometry and high-speed videography. Techniques are discussed for fabricating disposable shock target arrays of tiny plastic-bonded explosives (PBX), liquid and powder explosives, and single-crystal explosives for high-throughput studies. Optical temperature measurements of shocked triaminotrinitrobenzene (TATB) are discussed. Since TATB is yellow, we developed methods to correct for the blue absorption to obtain more accurate temperatures. Hot spots in shocked polymer-encased HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) crystals are observed in real-time, showing a hot spot produced in a collapsing void that ignites a deflagration. Despite the small dimensions of our explosive charges (typically 1 mm diameter and 250 μm length), we produced reproducible detonation states in solid and liquid explosives using short-duration shocks near the von Neumann spike (VNS) pressure. We show the VNS pressure is associated with a transition to high-efficiency gas production from the explosives. In studies of NM, prior to detonation, we see reaction originating at hot spots which coalesce to form a superdetonation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Calcium Carbonate Cement: A Carbon Capture, Utilization, and Storage (CCUS) Technique

A novel calcium carbonate cement system that mimics the naturally occurring mineralization process of carbon dioxide to biogenic or geologic calcium carbonate deposits was developed utilizing carbon dioxide-containing flue gas and high-calcium industrial solid waste as raw materials. The calcium carbonate cement reaction is based on the polymorphic transformation from metastable vaterite to aragonite and can achieve >40 MPa compressive strength. Due to its unique properties, the calcium carbonate cement is well suited for building materials applications with controlled factory manufacturing processes that can take advantage of its rapid curing at elevated temperatures and lower density for competitive advantages. Examples of suitable applications are lightweight fiber cement board and aerated concrete. The new cement system described is an environmentally sustainable alternative cement that can be carbon negative, meaning more carbon dioxide is captured during its manufacture than is emitted.

36 MATERIALS SCIENCE↗

Nonresonant particle acceleration in strong turbulence: Comparison to kinetic and MHD simulations

Collisionless, magnetized turbulence offers a promising framework for the generation of nonthermal high-energy particles in various astrophysical sites. Yet, the detailed mechanism that governs particle acceleration has remained subject to debate. By means of 2D and 3D particle-in-cell, as well as 3D (incompressible) magnetohydrodynamic (MHD) simulations, we test here a recent model of nonresonant particle acceleration in strongly magnetized turbulence, which ascribes the energization of particles to their continuous interaction with the random velocity flow of the turbulence, in the spirit of the original Fermi model. To do so, we compare, for a large number of particles that were tracked in the simulations, the predicted and the observed histories of particles momenta. The predicted history is that derived from the model, after extracting from the simulations, at each point along the particle trajectory, the three force terms that control acceleration: the acceleration of the field line velocity projected along the field line direction, its shear projected along the same direction, and its transverse compressive part. Overall, we find a clear correlation between the model predictions and the numerical experiments, indicating that this nonresonant model can successfully account for the bulk of particle energization through Fermi-type processes in strongly magnetized turbulence. Additionally we also observe that the parallel shear contribution tends to dominate the physics of energization in the particle-in-cell simulations, while in the magnetohydrodynamic incompressible simulation, both the parallel shear and the transverse compressive term provide about equal contributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Cost of Decarbonization and Energy Upgrade Retrofits for US Homes

Cost is a major barrier when upgrading homes to reduce carbon emissions required to meet DOE’s climate-related goals. This report summarizes a nationwide effort to gather home energy upgrade project cost data along with household energy performance data. The goal was to develop cost benchmarks and to guide future R&D efforts aimed at cost compression and scaling of the residential upgrade market. The cost data were compiled for both total project costs and costs of individual measures. The majority of energy savings were modeled, with some models using measured site data for calibration. The database was analyzed using clustering techniques to find common energy and CO2 reduction approaches. The individual measures were combined into archetypal solutions to determine least-cost approaches to maximizing energy and carbon savings. Several financial analyses were preformed to examine other cost metrics beyond first cost. Project data was obtained for 1,739 projects, from 15 states and 12 energy programs, with a total of 10,512 individual measures. The database includes a wide-array of projects, ranging from single-measure HVAC upgrades to net-zero energy whole home remodels. Projects were predominantly single-family detached dwellings with wood frame construction. Most of the data was obtained from energy programs because they had recorded the necessary information and were willing to share with this study. This sample of convenience can provide broad guidance and national cost benchmarks, but lacks sufficient detail to draw more disaggregated conclusions, such as geographical trends. The majority of data contributions were obtained without compensation from sources where the required data was already in some sort of structured format. We compensated sources to enter data from individual projects into a structured data format for about 500 projects, with an average cost of about $40 per project. The database was highly skewed to lower cost, lower impact projects due to the nature of the sample of convenience. Less than 10% of projects had savings greater than 50%. The cost data for individual measures in the database are being used in other DOE efforts on residential energy use/decarbonization. This data collection effort should continue in order to provide the best-informed guidance for DOE and industry R&D, as well as deployment efforts (including policy and program planning).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Discrete element modeling of switchgrass particles under compression and rotational shear

Switchgrass is a perennial herbaceous plant regarded as a biomass energy crop in the United States for its highadaptability and yield potential. Processing and handling of switchgrass particles are challenging due to the erratic mechanical and flow behavior originating from their intrinsic particulate properties. Here, we present a bonded-sphere discrete element model designed specifically for switchgrass particles. The model simultaneously captures three key particulate features, i.e., fibrous particle shapes, a wide range of particle sizes, and particle deformability. Realistic yet computationally efficient particle shape templates are created based on the image analysis data of switchgrass specimens. A fitting procedure is proposed to ensure both the particle width and length distributions are captured, a unique requirement for fibrous particles. Two full-scale numerical models, i.e., a uniaxial compression model and a Schulze ring shear model, are developed using information fromphysical experiments. The model is calibrated using experimental data of chopped-small switchgrass specimens, and then, is validated using data of chopped-large specimens in both compression and ring-shear tests. Numerical results show that the numerical models capture bulk densities accurately (with an error of 3%) while slightly underestimate the bulk friction angle. Furthermore, an extensive sensitivity analysis reveals that (1) switchgrass particles with rougher edges (due to different processing techniques) exhibit a higher shear strength and a lower flowability; (2) stiffer particles yield a lower bulk density (up to 21% lower) compared to more deformable particles, indicating particle deformability should be incorporated when modeling biomass flow in a preprocessing system.

09 BIOMASS FUELS↗

ORBITAL ANGULAR MOMENTUM BEAMS RESEARCH USING A FREE-ELECTRON LASER OSCILLATOR

Strong Hadron Cooling (SHC), utilizing the coherent electron cooling scheme, has been extensively investigated for the Electron Ion Collider (EIC). Throughout our cooling optimization studies, we realized that a Super-Gaussian electron bunch offers enhanced performance in comparison to a Gaussian bunch. Our approach involves initiating the electron beam distribution in a double peak form, transitioning them into a Super-Gaussian distribution due to the longitudinal space charge. Subsequently, a chicane within the linac section compresses the bunch to meet the required bunch length. We tuned a third harmonic cavity amplitude to reduce the nonlinear term of the chicane. Moreover, given the low initial current leading to a small but non-uniform slice energy spread, we evaluated utilizing laser heating techniques to achieve a uniformly distributed slice energy spread. In this report, we discuss the concepts and simulation results

Wang, E.↗

3D Printing of Cement-Based Materials Using Seawater for Simulated Marine Environments

Global demand for adaptable and rapidly deployable construction solutions in offshore, coastal, and fluvial environments continues to rise, driven by pressing needs to develop energy platforms, improve coastal resilience, and support emergency response in the face of natural disasters. Increased investment in human-made coastal infrastructure, such as piers, support structures for power lines, offshore wind farms, and seawall protection systems, further underscores this trend. This study investigates the development of printable concrete mixtures for underwater environments using seawater as a replacement for freshwater, using a 3D printing syringe-based extrusion system. The effect of seawater addition and the printing medium (in air vs. underwater) was assessed via rheological and mechanical performance characterization. The results indicate rheological properties are favorable for seawater adoption by producing mixtures with higher yield stress and viscosity with the same levels of admixtures used for freshwater. Seawater-based mixtures demonstrated superior dimensional stability compared to freshwater counterparts, maintaining cross-sectional geometry, while compressive strength results showed no statistical differences between in-air and underwater samples. However, flexural strength was significantly influenced by geometry and printing medium. These findings establish critical rheological parameters for printable underwater mixtures and highlight the need for optimized curing strategies and layer bonding techniques to improve interfacial strength in underwater 3D printing applications.

36 MATERIALS SCIENCE↗

SaltStone Wastewater Cement Study Using Isothermal Calorimetry, Standard Concrete Characterization Techniques, and CemGEMS - 25169

Cementitious reagents are used to solidify/stabilize aqueous radioactive, hazardous, and mixed salt solutions, and sludges to meet low-level radioactive waste (LLW) and Resource Conservation and Recovery Act (RCRA) requirements for disposal at Department of Energy (DOE). It is flexible enough to solidify radioactive wastewater saturated in complex species that include but are not limited to radioactive isotopes from the bombardment of neutrons in reactor operation, corrosion products from metallic components, and a variety of soluble organic compounds. [1,2]. Waste form testing typically includes processing or fresh properties, cured properties, compressive strength and hydraulic properties, porosity, density, saturated and unsaturated moisture transport, and leachability of contaminants in the waste form pore solution. Properties are collected over a relatively limited time, typically 28 to 365 days [3]. In addition, changes in the waste form as the result of time and changing conditions are important for concrete engineers to predict overall performance of the forms and potential release of contaminants in the disposal process via unintended filtration into the environment [4]. These predictions are determined/calculated characterizing young waste forms (relative to the standard age of concrete) and are based on transport through soluble ions in pore solutions. Characterization methods include X-ray, SEM, and isothermal calorimetry among other methods used to define the composition, amorphous vs. crystalline nature of the components, and the energetic formation mechanisms for multi-phase mineral systems. [5–7] Isothermal calorimetry is a well standardized technique for cements and concretes and can be used to predict the timing and nature of the hydration reactions.[8] The technique can measure long term energetic

Bustamante, Michael E. [Savannah River National La↗

Strain-tunable microwave-resonance technique for quantum materials

By integrating a dielectric microwave resonator with a piezoelectric-based strain device, we develop an in situ strain-tunable microwave spectroscopy technique that enables contactless measurements of material properties under strain. To demonstrate the capability of this device, we measure the strain-dependent microwave surface impedance of the representative iron-based superconductor Ba⁢Fe 2 (As 1−𝑥 ⁢P 𝑥 ) 2 at the slightly overdoped composition. We successfully control and observe the suppression of superconductivity under both compressive and tensile anisotropic lattice distortions along the tetragonal [110] T direction, as manifested by changes in the quality factor and resonance frequency shifts of microwave resonance. Furthermore, strain-induced changes in microwave surface resistivity, an extension of conventional DC-limit transport elastoresistivity to the microwave regime, provide information on electronic anisotropy equivalent to that of DC elastoresistivity, while offering a contactless alternative. Furthermore, our strain-tunable cavity therefore serves as a powerful, contactless probe of fundamental material properties under strain and may also potentially facilitate the design of hybrid quantum systems with strain-engineered quantum degrees of freedom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Stress Dependency of Brittle Creep in Granite: Insights into Source Mechanisms and Parameters

Creep in rocks refers to the gradual deformation of rock material over time under the influence of constant stress. Characterizing these deformations is of great importance for engineering design, geotechnical assessment, mining operations, geological studies, and understanding natural hazards. While laboratory experiments and a variety of numerical approaches have offered explanations for microcrack interaction and damage accumulation under the three stages of creep (primary, secondary and tertiary) in conventional creep experiments, the micromechanisms of the fractures produced in brittle creep and its dependency on the applied stress have not been explored in detail. The present study focused on investigating the fracturing mechanisms that occur during creep-induced fracturing at different stress levels and estimation of the source parameters and energy budget components. A series of uniaxial compression creep experiments have been conducted at different stress level ratios (70%, 75%, 80% and 85%), to the unconfined compressive strength (UCS) of double-flawed Barre granite specimen. Creep measurements were complemented with the Acoustic Emission (AE) measurements. The creep-induced fractures were classified into double-couple (DC), compensated linear vector dipole (CLVD) and isotropic (ISO) components using the AE moment tensor decomposition technique. The results show that non-double-couple sources dominated during creep at all the specified stress levels; however, their proportions decreased as the stress level was increased. The source parameters estimation indicated a significant increase in the magnitude of the events and the radiated seismic energy with increasing levels of stress and a slight increase in the evaluated source radius and stress drop with increasing stress levels. Furthermore, this study contributes to the existing knowledge of creep-induced fracturing by providing insights into the fracturing mechanisms and the radiated seismic energy produced, which can be helpful for the development of improved models and strategies for rock engineering and geoscience applications.

58 GEOSCIENCES↗