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At least 1,081 records · Page 60

Recent progresses in few-nucleon structure and dynamics in chiral effective field theory

The most recent progresses made within the framework of chiral effective field theory for few-nucleon structure and low-energy reactions are here presented. In particular, for the 𝐴 = 2 sector, the study of muon capture on deuteron is reviewed. Then, the results obtained using the Hyperspherical Harmonics ab-initiomethod for the 4He monopole form factor and the 3He(®𝑛, 𝑝) 3H parity-conserving asymmetry are described.

Marcucci, Laura [University of Pisa, Pisa, Italy; ↗

Structural stiffness, strength and dynamic characteristics of large tetrahedral space truss structures

Physical characteristics of large skeletal frameworks for space applications are investigated by analyzing one concept: the tetrahedral truss, which is idealized as a sandwich plate with isotropic faces. Appropriate analytical relations are presented in terms of the truss column element properties which for calculations were taken as slender graphite/epoxy tubes. Column loads, resulting from gravity gradient control and orbital transfer, are found to be small for the class structure investigated. Fundamental frequencies of large truss structures are shown to be an order of magnitude lower than large earth based structures. Permissible loads are shown to result in small lateral deflections of the truss due to low-strain at Euler buckling of the slender graphite/epoxy truss column elements. Lateral thermal deflections are found to be a fraction of the truss depth using graphite/epoxy columns.

Mikulas, M. M., Jr.↗

An expert system for monitoring dynamic aspects of RCS

An expert system (ARC) based on the MIMIC(2) framework is being developed for assistance in monitoring the Space Shuttle reaction control system (RCS) and in training RCS mission controllers. ARC has four components: a hypothesis generator, a model-constructor, a model-simulator and a matcher. The hypothesis generator examines current readings of sensors to generate a set of hypotheses. The model constructor generates models from these hypotheses. The simulator predicts future behaviors of the system. The matcher validates hypotheses by testing the predicted states against real data. The hypothesis generator postulates faults using model-based reasoning (MBR), learned rules from real data, and expert-defined rules. The simulator uses a qualitative QSIM model of the RCS which can handle both nominal modes as well as a variety of fault models. This allows the simulator to simulate the system even when one or more components have degraded. Finally, the matcher is responsible for comparing readings against predictions and calculating confidence in a particular hypothesis.

Kulkarni, Deepak↗

Quantum dynamics of non-Hermitian many-body Landau-Zener systems

Here, we develop a framework to solve a large class of linearly driven non-Hermitian quantum systems. Such a class of models in the Hermitian scenario is commonly known as multistate Landau-Zener models. The non-Hermiticity is due to the anti-Hermitian couplings between the diabatic levels. We find that there exists a conservation law, unique to this class of models, that describes the simultaneous growth of the unnormalized wave functions. These models have practical applications in Bose-Einstein condensates, and they can describe the dynamics of multispecies bosonic systems. The conservation law relates to a pair-production mechanism that explains the dissociation of diatomic molecules into atoms. We provide a general framework for both solvable and semiclassically solvable non-Hermitian Landau-Zener models. Our findings will open alternative avenues for a number of diverse emergent phenomena in explicitly time-dependent non-Hermitian quantum systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

BrickQA: Bridging the Semantic Gap in Building Operations with Dynamic Graph Exploration

While standardized ontologies like the Brick schema address data heterogeneity in Building Automation Systems (BAS), accessing this semantic data remains a challenge as domain experts often lack the expertise to formulate complex SPARQL queries. To bridge this gap, we present BrickQA, a Large Language Model (LLM)-based framework that translates natural language into executable SPARQL queries through structured query decomposition, dynamic schema exploration, and inline validation. BrickQA utilizes an iterative reasoning agent to actively navigate graph topology through dynamic exploration actions without requiring exhaustive context injection or model fine-tuning. This approach effectively mitigates hallucinations, particularly in large-scale building knowledge graphs. Empirical evaluation on BuildingQA, a standardized benchmark, demonstrates that BrickQA significantly outperforms ReAct baselines, delivering a 0.291–0.355 absolute F1 improvement while achieving 3 × –12.7 × higher token cost-efficiency. Beyond these metrics, the framework maintains structural fidelity across heterogeneous buildings and remains resilient to ambiguous queries without requiring site-specific fine-tuning. Furthermore, a case study on operational analytics validates the framework’s capability to handle temporal and aggregation constraints, effectively transforming abstract semantic models into actionable facility management insights.1

Ko, Yun-Dam↗

Tailored ultrasound propagation in microscale metamaterials via inertia design

The quasi-static properties of micro-architected (meta)materials have been extensively studied over the past decade, but their dynamic responses, especially in acoustic metamaterials with engineered wave propagation behavior, represent a new frontier. However, challenges in miniaturizing and characterizing acoustic metamaterials in high-frequency (megahertz) regimes have hindered progress toward experimentally implementing ultrasonic-wave control. Here, we present an inertia design framework based on positioning microspheres to tune responses of 3D microscale metamaterials. We demonstrate tunable quasi-static stiffness by up to 75% and dynamic longitudinal-wave velocities by up to 25% while maintaining identical material density. Using noncontact laser-based dynamic experiments of tunable elastodynamic properties and numerical demonstrations of spatio-temporal ultrasound wave propagation, we explore the tunable static and elastodynamic property relation. This design framework expands the quasi-static and dynamic metamaterial property space through simple geometric changes, enabling facile design and fabrication of metamaterials for applications in medical ultrasound and analog computing.

42 ENGINEERING↗

Computational prediction of the effect of amino acid changes on the binding affinity between SARS-CoV-2 spike RBD and human ACE2

The association of the receptor binding domain (RBD) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein with human angiotensin-converting enzyme 2 (hACE2) represents the first required step for cellular entry. SARS-CoV-2 has continued to evolve with the emergence of several novel variants, and amino acid changes in the RBD have been implicated with increased fitness and potential for immune evasion. Reliably predicting the effect of amino acid changes on the ability of the RBD to interact more strongly with the hACE2 can help assess the implications for public health and the potential for spillover and adaptation into other animals. Here, we introduce a two-step framework that first relies on 48 independent 4-ns molecular dynamics (MD) trajectories of RBD-hACE2 variants to collect binding energy terms decomposed into Coulombic, covalent, van der Waals, lipophilic, generalized Born solvation, hydrogen bonding, π-π packing, and self-contact correction terms. The second step implements a neural network to classify and quantitatively predict binding affinity changes using the decomposed energy terms as descriptors. The computational base achieves a validation accuracy of 82.8% for classifying single–amino acid substitution variants of the RBD as worsening or improving binding affinity for hACE2 and a correlation coefficient of 0.73 between predicted and experimentally calculated changes in binding affinities. Both metrics are calculated using a fivefold cross-validation test. Our method thus sets up a framework for screening binding affinity changes caused by unknown single– and multiple–amino acid changes offering a valuable tool to predict host adaptation of SARS-CoV-2 variants toward tighter hACE2 binding.

60 APPLIED LIFE SCIENCES↗

Support for User Interfaces for Distributed Systems

An extensible Java(TradeMark) software framework supports the construction and operation of graphical user interfaces (GUIs) for distributed computing systems typified by ground control systems that send commands to, and receive telemetric data from, spacecraft. Heretofore, such GUIs have been custom built for each new system at considerable expense. In contrast, the present framework affords generic capabilities that can be shared by different distributed systems. Dynamic class loading, reflection, and other run-time capabilities of the Java language and JavaBeans component architecture enable the creation of a GUI for each new distributed computing system with a minimum of custom effort. By use of this framework, GUI components in control panels and menus can send commands to a particular distributed system with a minimum of system-specific code. The framework receives, decodes, processes, and displays telemetry data; custom telemetry data handling can be added for a particular system. The framework supports saving and later restoration of users configurations of control panels and telemetry displays with a minimum of effort in writing system-specific code. GUIs constructed within this framework can be deployed in any operating system with a Java run-time environment, without recompilation or code changes.

Eychaner, Glenn↗

A Multi-Disciplinary Analysis Framework for the Design of Small Launch Vehicles

Between the years of 1995 and 2014 the number of small satellites (1-500 kg) went up from 20 to 180. [1] Out of the 180 launched in 2014 66% were Nano satellites (1-10 kg). [1] With this trend of smaller satellites, one would expect a rise in number of small launch vehicles (SLVs are defined by capability to carry 1-100 kg to orbit), but this has not happened: [3] only 8% of all small satellites are launched on SLVs and the others become secondary payloads on regular launch vehicles. [1] This results in small satellites being placed into either suboptimal orbits or waiting for launch schedules to align with bigger launches, resulting in long waiting times. Dedicated SLVs could improve the responsiveness of small satellite launches, but SLV design is complicated by the large architecture space needed to be explored in order to find efficient and affordable designs. The SLV architecture trade space contains many discrete options, e.g. solid vs. liquid fuels, air launch vs. ground launch, number of stages, etc. [2][3] Performing detailed analysis for all the options at once would be prohibitive. Thus, a sizing environment/framework that is capable of providing necessary information for conceptual-level trade studies and can rapidly explore the vast SLV architecture space is necessary. The framework, illustrated in Figure 1, consists of four disciplines central to the sizing and synthesis of launch vehicles: propulsion, aerodynamics, structures, and trajectory. For the aerodynamics and trajectory disciplines, Missile DATCOM and POST2 are used, respectively. The propulsion and structures disciplines are represented in the framework with tools developed at ASDL Georgia Tech. For propulsion, the Solid Motor Analysis Code (SMAC) is a physics-based conceptual design tool for solid rocket motors. SMAC is capable of geometric burn simulation, ballistic analysis, and prediction of thrust performance. [4] For structures, Launch Vehicle Structural Analysis (LVSA) tool is a physics-based tool that focuses on structural dynamic analysis with sizing capability. These tools are integrated into the framework illustrated in Figure 1 with the corresponding connections described in Table 1. The process flow is as follows: first, SMAC sizes insulation and calculates maximum operating pressures for each vehicle stage. The MEOP and insulation thickness values from SMAC are fed to LVSA which then utilizes this information to size the motor casing. This creates a feedback loop between LVSA and SMAC that converges on the radius available for fuel, casing, and insulation thickness. Once the stage sizing is converged on SMAC creates an engine deck that is passed to POST2. Next, the data from SMAC and LVSA goes into Missile DATCOM which generates an aerodynamics database for POST2. Finally, POST2 performs a targeting optimization while maximizing the payload mass to orbit. Within the framework, POST2 is automated in order to be robust to a wide variety of possible designs by performing a Monte Carlo simulation over the initialization vector of the POST2 optimization variables. To demonstrate the capability of this framework, a sample problem of exploring the design space of an SLV capable of placing satellites into a low Earth orbit (inclination=47 deg, 196.5 by 211.3 nm) is used. This sample problem is a ground-launched SLV consisting of four in-line SRM stages. The multidisciplinary design analysis (MDA) environment is utilized to explore a design space consisting of 22 continuous and 12 discrete variables, shown by Table 1 by blocks 1,2,3. Running a full factorial design of experiments (DOE) would have been prohibitively expensive even with this reduced design space, thus a space filling design with 3,502 and then additional expansion of 2,602 cases was used. The first DOE consisted of 3,502 cases, and all of the variables were varied. These input variables are listed in blocks 1, 2, and 3 in Table 1. Most of the variables are propulsion related with stage lengths determining the delta-V split of the SLV. The expansion consisted of 2,602 cases, and the continuous variables were set to be equal to the most promising designs from the sizing of first DOE. For each set of continuous variables, the discrete variables (grain type, star points, and propellant) were to varied. The results of the DOE can be seen in Figure 2; each of the points in this plot represents a closed launch vehicle that reaches the targeted orbit. For each of the cases, there is information on flown trajectory, structural, and propulsion properties of the SLV. For example, Figure 3 shows changes in altitude and velocity with time for a particular case. The right side of Figure 3 clearly shows the coasting (slow decrease) and burning phases (sharp increase) of the SLV mission. LV mass is positively correlated with the optimized payload mass to orbit because heavier LVs carry more fuel and thus have more stored chemical energy. Furthermore, for any given payload mass to orbit, the most efficient design would result in the smallest LV. The results as visualized in Figure 2 shows this tradeoff, and the Pareto frontier of the efficient designs can be seen along the dotted line. Figure 2 can be divided into regions with the lowest mass vehicles corresponding to the minimum bound on radius, and the highest mass vehicles corresponding to the maximum bound on radius. Within a mass region, the discrete variables, such as propellant type and propellant grain arrangement, have the most effect on payload mass. This paper presents an MDA framework that can perform an automated physics-based sizing of SLV designs and a corresponding methodology to utilize the MDA to explore the design space of SLVs. The proposed methodology was applied to a perform a design space exploration for a four stage SLV. The outputs show the expected pareto frontier forming and provide detailed information about the SLV performance and staging. Using the produced data, it will be possible to select a set of pareto optimal designs that can then be further explored in subsequent design cycles. This demonstration shows that automated design space exploration should be used in the early phase design of future SLV concepts.

Nikita S Birbasov↗

Risk-Constrained Dynamic Programming for Optimal Mars Entry, Descent, and Landing

A chance-constrained dynamic programming algorithm was developed that is capable of making optimal sequential decisions within a user-specified risk bound. This work handles stochastic uncertainties over multiple stages in the CEMAT (Combined EDL-Mobility Analyses Tool) framework. It was demonstrated by a simulation of Mars entry, descent, and landing (EDL) using real landscape data obtained from the Mars Reconnaissance Orbiter. Although standard dynamic programming (DP) provides a general framework for optimal sequential decisionmaking under uncertainty, it typically achieves risk aversion by imposing an arbitrary penalty on failure states. Such a penalty-based approach cannot explicitly bound the probability of mission failure. A key idea behind the new approach is called risk allocation, which decomposes a joint chance constraint into a set of individual chance constraints and distributes risk over them. The joint chance constraint was reformulated into a constraint on an expectation over a sum of an indicator function, which can be incorporated into the cost function by dualizing the optimization problem. As a result, the chance-constraint optimization problem can be turned into an unconstrained optimization over a Lagrangian, which can be solved efficiently using a standard DP approach.

Ono, Masahiro↗

Physics-informed machine learning exploration of Na storage mechanisms in disordered carbon

Sodium-ion batteries are a cost-effective, sustainable alternative to lithium-ion systems for large-scale energy storage. However, optimizing sodium storage in carbon-based anodes with microstructural complexity and atomic disorder remains a major challenge. The intrinsic inhomogeneity of these materials produces diverse local environments, making it difficult for conventional methods to predict and control ion dynamics. Hard carbon (HC) anodes, composed of ranges of ordered-to-disordered graphitic and amorphous nanodomains, offer tunable ion storage and rate capacity, yet rationale design remains a challenge due to poorly understood correlation between local atomic feature and ion transport mechanism. Here, to address this challenge, we introduce a data-driven framework that integrates validated machine-learned interatomic potentials, large-scale molecular dynamics simulations, and machine learning to elucidate sodium transport mechanisms as a function of carbon and sodium loading densities. By computing per-ion structural descriptors and applying unsupervised learning, we identify distinct diffusion modes governed by microscopic features. Supervised analysis and correlation mapping then establish quantitative links between these transport regimes and processing variables such as bulk carbon density and sodium content. This physics-informed approach establishes quantitative structure–transport relationships and offers actionable design principles for engineering high-performance HC anodes.

Data-driven framework↗

In-Situ SEM High Strain Rate Testing of Large Diameter Micropillars Followed by TEM and EBSD Postmortem Analysis

Background Dislocation dynamic simulations are intended as a tool to understand and predict the mechanical behavior of metallic materials, but its prediction has never been directly verified by experiments due to differences in specimen strain rate and size. Objective In this work, a comprehensive experimental framework is proposed to attempt direct comparison between experiments and discrete dislocation dynamics (DDD) modelling. Methods By integrating high-throughput sample fabrication and a customized testing apparatus, the sample size and strain rate typically employed in DDD simulations are explored experimentally. Constitutive properties such as stress-strain response are measured, and microstructural information is obtained from transmission electron microscopy (TEM) imaging, electron backscatter diffraction (EBSD), and TEM-based orientation mapping. Results Magnesium and copper were selected, as case studies, to demonstrate the newly developed experimental procedure. Measured stress-strain responses for Mg are consistent with those obtained with a miniaturized Hopkison bar experiments. Furthermore, by exploiting the validated workflow, the effect of strain rate on micropillar heterogeneous deformation and associated dislocation plasticity were revealed. Conclusion The work establishes a methodology for the systematic study of not only metals but also other materials and structures at the microscale and high strain rates.

42 ENGINEERING↗

Tuning Shinkarev’s Bicycle: Separating the Parallel Cycles of Photosystem II Using Empirical Wavelet Transform

The oxygen-evolving complex (OEC) of Photosystem II (PSII) catalyzes light-driven water oxidation, a process necessary to sustain Earth’s atmospheric oxygen. Oxygen yields measured during single-turnover flash sequences exhibit period-four oscillations, which form the basis of the Joliot–Kok (S-state) model. However, when the oscillations of other processes contribute to the measured oxygen yield, fitting methods can conflate these signals and distort estimates of inefficiencies and initial S-state populations. To address this, we applied the empirical wavelet transform (EWT) as a model-independent method to separate overlapping oscillators and capture damping dynamics that are not well represented in Fourier analysis. We tested this framework on polarographic flash-oxygen traces from both our Synechocystis sp. PCC 6803 thylakoid membrane preparations and archival datasets on Chlorella and isolated chloroplasts. EWT consistently resolves the expected period-four component alongside a distinct binary oscillation. Simulations suggest that fitting this isolated period-four signal recovers VZAD parameters more accurately than analysis of raw traces, yielding different estimates for S-state distributions and transition probabilities. Notably, this binary oscillation aligns closely with semiquinone dynamics predicted solely from period-four fit parameters. These findings indicate that EWT can effectively distinguish complex signals in oxygen evolution, offering a framework potentially applicable to other spectroscopic probes of the S-state cycle.

Ferrari, Nicholas [Louisiana State Univ., Baton Ro↗

New Methods for Predicting Non-Born-Oppenheimer Chemistry

Current methods for modeling non-adiabatic molecular dynamics face fundamental limitations when treating geometric phase effects: quantum mechanical phenomena where nuclear wavepackets acquire phase shifts when encircling conical intersections. Existing approaches either neglect these effects entirely or rely on potential energy surfaces arising from the Born-Oppenheimer approximation, which introduce artificial singularities and can overestimate geometric phase contributions. This project developed a new theoretical framework based on exact factorization (XF) methods to overcome these limitations. We derived mathematical formulations for hybrid quantum-classical XF dynamics that selectively treat critical nuclear degrees of freedom quantum mechanically while propagating others classically. This approach addresses the computational intractability that has previously limited exact methods to toy systems. Key innovations include a new approach to systematically identifying nuclear coordinates requiring quantum treatment, as well as novel implementation strategies that interface with existing quantum chemistry codes. The project also developed a proof-of-concept code for treating Jahn-Teller systems and creation of educational materials on non-adiabatic dynamics geared at the graduate level. The theoretical framework developed will enable future systematically improvable calculations of nuclear quantum effects in realistic molecular systems, filling a critical gap in non-adiabatic dynamics methods. This foundation supports future development of predictive tools for designing energy-relevant photochemical processes where quantum coherence effects may be exploited to control reaction outcomes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Unlocking hidden information in sparse small-angle neutron scattering measurements

Hypothesis Small-Angle Neutron Scattering (SANS) is a powerful technique for studying soft matter systems such as colloids, polymers, and lyotropic phases, providing nanoscale structural insights. However, its effectiveness is limited by low neutron flux, leading to long acquisition times and noisy data. Here, we hypothesize that Bayesian statistical inference using Gaussian Process Regression (GPR) can reconstruct high-fidelity scattering data from sparse measurements by leveraging intensity smoothness and continuity. Experiments and Simulations The method was benchmarked computationally and validated through SANS experiments on various soft matter systems, including wormlike micelles, colloidal suspensions, polymeric structures, and lyotropic phases. GPR-based inference was applied to both experimental and synthetic data to evaluate its effectiveness in noise reduction and intensity reconstruction. Findings GPR significantly enhances SANS data quality and therefore reducing measurement times by up to two orders of magnitude. This cost-effective approach maximizes experimental efficiency, enabling high-throughput studies and real-time monitoring of dynamic systems. It is particularly beneficial for weakly scattering and time-sensitive studies. Beyond SANS, this framework applies to other low-SNR techniques, including laboratory-based small-angle X-ray scattering and various dynamical scattering methods. Furthermore, it offers transformative potential for compact neutron sources, enhancing their viability for structural analysis in resource-limited settings.

Small angle neutron scattering↗

Second harmonic Bessel-Gauss beam shaping with elliptic axicon aberrations

The second harmonic (SH) of an axicon generated Bessel-Gauss beam is created through the nonlinear interaction of photons with a crystal, resulting in the energy doubling of the output photons. In this work, we show experimentally that in addition to frequency doubling, the SH of Bessel-Gauss beams under asymmetric aberrations from an elliptic axicon exhibit intriguing beam formation. Particularly, the central region of the SH beam profile is composed of two central spots of various geometries surrounded by nested ellipses; one of which is the configuration of two central gamma dots with similar radius knotted by nested ellipses for a zeroth-order Bessel-Gauss pump. These SH beams consistently maintain their spatial profile throughout propagation, reminiscing the behavior of screw dislocations in wave patterns. Our numerical simulations produce beam dynamics consistent with that of experiments and further implicate the remarkable interweaving of bright spots with dark vortices. This is especially noticeable when the beams dynamically oscillate along the optical axis, resulting in the genesis of spatially polarized beams with a knotted framework. The insights gained from our study establish a novel paradigm for exploring interactions of Bessel-like beams with vortex dynamics. This, in turn, has the potential to spark innovations in optical applications, fostering new methodologies to harness and manipulate complex light structures. Our experimental findings could spur new methods of generating logical states of light and new opportunities for material processing control. Published by the American Physical Society 2025

Wang, Tianhong (ORCID:0000000169104201)↗

Developing a soil inversion model framework for regional permafrost monitoring

Currently, the community lacks capabilities to assess and monitor landscape scale permafrost active layer dynamics over large extents. To address this need, we developed a concept of a remote sensing based Soil Inversion Model for regional Permafrost (SIM-P) monitoring. The current SIM-P framework includes a satellite-based soil process model and a soil dielectric model. We are also working on incorporating a radar scattering model for Arctic tundra into the SIM-P framework. A unified soil parameterization scheme was developed to harmonize key soil thermal, hydraulic and dielectric parameters in the soil process and radar models that can be used in the joint soil-radar inversion framework. The soil parameter retrievals of the SIM-P framework include soil organic content (SOC) and active layer thickness (ALT). Initial tests of SIM-P using in-situ soil permittivity observations showed reasonable accuracy in predicting site-level SOC and soil temperature profiles at an Alaska tundra site and ALT in Arctic Alaska. SIM-P will be further tested using airborne P- and L-band radar data collected during NASA’s Arctic Boreal Vulnerability Experiment (ABoVE) to evaluate the sensitivity of longwave radar to active layer properties.

Miller, Charles E.↗

Applying Particle Swarm Optimization and Extended Kalman Filtering to Model Kaplan Generation Dynamics for Hydropower Systems

Variable renewable generation is increasing the need for hydropower plants to provide fast and flexible grid support, which places new demands on plant-level dynamic models used for monitoring, control, and operational decision-making. This need is especially important for hydroelectric systems, where turbine and generator dynamics are strongly coupled, nonlinear, and time-varying, making accurate real-time representation difficult. To address this problem, this paper develops a digital twin (DT) framework for a synchronous generator–Kaplan turbine system using an explicit separation of slow turbine dynamics and fast generator dynamics. The turbine subsystem is represented by a six-coefficient model, whose parameters are identified offline using particle swarm optimization, while the generator subsystem is updated online through an extended Kalman filter for real-time state and parameter estimation. These models are integrated within a closed-loop simulation that includes a proportional–integral–derivative–double-derivative governor and excitation system, allowing the DT to track plant behavior under realistic operating conditions. Unlike prior studies that treat turbine and generator modeling separately or rely mainly on simulated inputs, the proposed framework is validated using real operational data from a hydropower plant. Results show that the DT reproduces terminal voltage, active power, and reactive power with a normalized root mean square error of approximately 5%. This hybrid offline–online formulation constitutes the main contribution of the work, providing an adaptive and practically deployable DT for hydropower systems with direct relevance to control improvement, performance monitoring, and grid-support applications under high renewable penetration.

13 HYDRO ENERGY↗