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At least 145 records · Page 8

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗

A High-Performance Computing GNSS-aware Path Planning Algorithm for Safe Urban Flight Operations

The emergence and development of advanced technologies and vehicle types have created a growing demand for new forms of flight operations. These new and increasingly complex operational paradigms, such as Advanced and Urban Air Mobility (AAM/UAM), present regulatory authorities and the aviation community with several design-and-implementation challenges – particularly for highly autonomous vehicles. An overarching and daunting task is to develop protocols that can integrate these operations without compromising safety or disrupting traditional airspace operations. A shift toward a more predictive, autonomous, risk mitigation capability becomes critical to meet this challenge. This paper proposes and evaluates a computationally-efficient path planning approach to perform pre-flight planning and autonomous in-flight re-routing to minimize exposures to selected hazards. In our evaluation, hazards associated with degraded and missing critical GPS navigation data are considered. In this paper, we first present a high-performance computing path planning approach based on an adapted Bellman-Ford algorithm, developed in the CUDA programming language. Using the adapted path planning algorithm, we test this algorithm when encountering issues with GPS quality, and deliver an implementation that can produce flight paths that minimize exposure to risks, while maintaining a low computational burden. In our evaluation, the computation of periodic and aperiodic path updates are evaluated, prioritizing specific events as triggers for updates, based on changes to satellite availability. These critical events can lead to significant exposure to navigational hazards if not dealt with correctly.

GNSS↗

A High-Performance Computing GNSS-aware Path Planning Algorithm for Safe Urban Flight Operations

The emergence and development of advanced technologies and vehicle types have created a growing demand for new forms of flight operations. These new and increasingly complex operational paradigms, such as Advanced and Urban Air Mobility (AAM/UAM), present regulatory authorities and the aviation community with several design-and-implementation challenges – particularly for highly autonomous vehicles. An overarching and daunting task is to develop protocols that can integrate these operations without compromising safety or disrupting traditional airspace operations. A shift toward a more predictive, autonomous, risk mitigation capability becomes critical to meet this challenge. This paper proposes and evaluates a computationally-efficient path planning approach to perform pre-flight planning and autonomous in-flight re-routing to minimize exposures to selected hazards. In our evaluation, hazards associated with degraded and missing critical GPS navigation data are considered. In this paper, we first present a high-performance computing path planning approach based on an adapted Bellman-Ford algorithm, developed in the CUDA programming language. Using the adapted path planning algorithm, we test this algorithm when encountering issues with GPS quality, and deliver an implementation that can produce flight paths that minimize exposure to risks, while maintaining a low computational burden. In our evaluation, the computation of periodic and aperiodic path updates are evaluated, prioritizing specific events as triggers for updates, based on changes to satellite availability. These critical events can lead to significant exposure to navigational hazards if not dealt with correctly.

GNSS↗

Fabrication and Modification of Nanoporous Silicon Particles

Silicon-based nanoporous particles as biodegradable drug carriers are advantageous in permeation, controlled release, and targeting. The use of biodegradable nanoporous silicon and silicon dioxide, with proper surface treatments, allows sustained drug release within the target site over a period of days, or even weeks, due to selective surface coating. A variety of surface treatment protocols are available for silicon-based particles to be stabilized, functionalized, or modified as required. Coated polyethylene glycol (PEG) chains showed the effective depression of both plasma protein adsorption and cell attachment to the modified surfaces, as well as the advantage of long circulating. Porous silicon particles are micromachined by lithography. Compared to the synthesis route of the nanomaterials, the advantages include: (1) the capability to make different shapes, not only spherical particles but also square, rectangular, or ellipse cross sections, etc.; (2) the capability for very precise dimension control; (3) the capacity for porosity and pore profile control; and (4) allowance of complex surface modification. The particle patterns as small as 60 nm can be fabricated using the state-of-the-art photolithography. The pores in silicon can be fabricated by exposing the silicon in an HF/ethanol solution and then subjecting the pores to an electrical current. The size and shape of the pores inside silicon can be adjusted by the doping of the silicon, electrical current application, the composition of the electrolyte solution, and etching time. The surface of the silicon particles can be modified by many means to provide targeted delivery and on-site permanence for extended release. Multiple active agents can be co-loaded into the particles. Because the surface modification of particles can be done on wafers before the mechanical release, asymmetrical surface modification is feasible. Starting from silicon wafers, a treatment, such as KOH dipping or reactive ion etching (RIE), may be applied to make the surface rough. This helps remove the nucleation layer. A protective layer is then deposited on the wafer. The protective layer, such as silicon nitride film or photoresist film, protects the wafer from electrochemical etching in an HF-based solution. A lithography technique is applied to pattern the particles onto the protective film. The undesired area of the protective film is removed, and the protective film on the back side of the wafer is also removed. Then the pattern is exposed to HF/surfactant solution, and a larger DC electrical current is applied to the wafers for a selected time. This step removes the nucleation layer. Then a DC current is applied to generate the nanopores. Next, a large electrical current is applied to generate a release layer. The particles are mechanically suspended in the solvent and collected by filtration or centrifuge.

Ferrari, Mauro↗

Floquet engineering of Kitaev quantum magnets

Abstract In recent years, there has been an intense search for materials realizing the Kitaev quantum spin liquid model. A number of edge-shared compounds with strong spin-orbit coupling, such as RuCl 3 and iridates, have been proposed to realize this model. Nevertheless, an effective spin Hamiltonian derived from the microscopic model relevant to these compounds generally contains terms that are antagonistic toward the quantum spin liquid. This is consistent with the fact that the zero magnetic field ground state of these materials is generally magnetically ordered. It is a pressing issue to identify protocols to drive the system to the limit of the Kitaev quantum spin model. In this work, we propose Floquet engineering of these Kitaev quantum magnets by coupling materials to a circularly polarized laser. We demonstrate that all the magnetic interactions can be tuned in situ by the amplitude and frequency of the laser, hence providing a route to stabilize the Kitaev quantum spin liquid phase.

36 MATERIALS SCIENCE↗

Low-frequency electrochemical pulsing to manage flooding and salt precipitation in zero-gap CO 2 -to-ethylene electrolyzers

The electrochemical reduction of carbon dioxide (CO 2 ) to ethylene presents a promising route for utilizing exhaust gases to produce value-added chemicals with broad manufacturing applications. While zero-gap electrolyzer architectures show great potential to enable commercial-scale CO 2 -to-ethylene conversion, their performance is often limited by failure within the first 100 hours. In this work, we demonstrate that a low-frequency electrochemical pulsing protocol effectively mitigates carbonate salt precipitation and flooding by managing water transport to and through the cathode gas diffusion electrode and associated flow fields. Operando neutron imaging further reveals the dynamics of water crossover and flooding, emphasizing the intricate interplay between electrochemical operation and ionic transport. By mitigating short-term flooding and salt precipitation failure modes, this study establishes a foundation for understanding long-term degradation mechanisms and advancing the practical viability of CO 2 electrolyzers for industrial-scale applications.

36 MATERIALS SCIENCE↗

Microwave-Free Dynamic Nuclear Polarization via Sudden Thermal Jumps

Dynamic nuclear polarization (DNP) presently stands as the preferred strategy to enhance the sensitivity of nuclear magnetic resonance measurements, but its application relies on the use of high-frequency microwave to manipulate electron spins, an increasingly demanding task as the applied magnetic field grows. Here we investigate the dynamics of a system hosting a polarizing agent formed by two distinct paramagnetic centers near a level anticrossing. We theoretically show that nuclear spins polarize efficiently under a cyclic protocol that combines alternating thermal jumps and radio-frequency pulses connecting hybrid states with opposite nuclear and electronic spin alignment. Central to this process is the difference between the spin-lattice relaxation times of either electron spin species, transiently driving the electronic spin bath out of equilibrium after each thermal jump. Without the need for microwave excitation, this route to enhanced nuclear polarization may prove convenient, particularly if the polarizing agent is designed to feature electronic level anticrossings at high magnetic fields.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Using Mesh Networking for A Dynamic Lunar Internet of Things (Liot)

The purpose of this project is to evaluate the feasibility of an IEEE 802.11 mesh protocol for lunar surface computing. This standard for wireless networking boosts speed, dependability and range of wireless transmissions. The concept is to integrate sensors (such as deployed science instruments) or Astronaut tools (such as a handheld spectrometer) that communicate with a node on a common cell. The nodes can extend the range of the cell and can dynamically reconfigure the data routing in case of another node failure. All of the data in a cell pass through a modem that communicates with a distant base station across a 4G link. The application of mesh networking to a potential lunar surface network increases robustness and fault tolerance over a traditional single-point modem system. By demonstrating the basic capability of a mesh network, the student team has learned about issues with power, distance, thermal, dust, radiation, data processing, and communication problems applicable to the lunar surface. This knowledge can feed into future NASA requirements to improve the capability of a LunaNET implementation for the Artemis program. This project follows 10 years of successful collaboration between NASA ARES, Texas Space, Technology, Applications and Research (T STAR) and Texas A&M University in a Public, Private, Academic (PPA) Partnership. NASA funds T STAR to mentor undergraduate Capstone teams in the College of Engineering Department to design, built, and test prototypes meeting NASA requirements. TAMU faculty lead the student teams in their academic class, and NASA Subject Matter Experts (SMEs) provide T STAR and students insight on requirements evolution, prior design projects, and future development goals.

Lunar Mesh Networking↗

Quantifying high-dimensional spatial entanglement with a single-photon-sensitive time-stamping camera

High-dimensional entanglement is a promising resource for quantum technologies. Being able to certify it for any quantum state is essential. However, to date, experimental entanglement certification methods are imperfect and leave some loopholes open. Using a single-photon-sensitive time-stamping camera, we quantify high-dimensional spatial entanglement by collecting all output modes and without background subtraction, two critical steps on the route toward assumptions-free entanglement certification. We show position-momentum Einstein–Podolsky–Rosen (EPR) correlations and quantify the entanglement of formation of our source to be larger than 2.8 along both transverse spatial axes, indicating a dimension higher than 14. Our work overcomes important challenges in photonic entanglement quantification and paves the way toward the development of practical quantum information processing protocols based on high-dimensional entanglement.

79 ASTRONOMY AND ASTROPHYSICS↗

Automated Lane Centering: An Off-the-Shelf Computer Vision Product vs. Infrastructure-Based Chip-Enabled Raised Pavement Markers

Safe autonomous vehicle (AV) operations depend on an accurate perception of the driving environment, which necessitates the use of a variety of sensors. Computational algorithms must then process all of this sensor data, which typically results in a high on-vehicle computational load. For example, existing lane markings are designed for human drivers, can fade over time, and can be contradictory in construction zones, which require specialized sensing and computational processing in an AV. But, this standard process can be avoided if the lane information is simply transmitted directly to the AV. High definition maps and road side units (RSUs) can be used for direct data transmission to the AV, but can be prohibitively expensive to establish and maintain. Additionally, to ensure robust and safe AV operations, more redundancy is beneficial. A cost-effective and passive solution is essential to address this need effectively. In this research, we propose a new infrastructure information source (IIS), chip-enabled raised pavement markers (CERPMs), which provide environmental data to the AV while also decreasing the AV compute load and the associated increase in vehicle energy use. CERPMs are installed in place of traditional ubiquitous raised pavement markers along road lane lines to transmit geospatial information along with the speed limit using long range wide area network (LoRaWAN) protocol directly to nearby vehicles. This information is then compared to the Mobileye commercial off-the-shelf traditional system that uses computer vision processing of lane markings. Our perception subsystem processes the raw data from both CEPRMs and Mobileye to generate a viable path required for a lane centering (LC) application. To evaluate the detection performance of both systems, we consider three test routes with varying conditions. Our results show that the Mobileye system failed to detect lane markings when the road curvature exceeded ±0.016 m -1 . For the steep curvature test scenario, it could only detect lane markings on both sides of the road for just 6.7% of the given test route. On the other hand, the CERPMs transmit the programmed geospatial information to the perception subsystem on the vehicle to generate a reference trajectory required for vehicle control. The CERPMs successfully generated the reference trajectory for vehicle control in all test scenarios. Moreover, the CERPMs can be detected up to 340 m from the vehicle’s position. Our overall conclusion is that CERPM technology is viable and that it has the potential to address the operational robustness and energy efficiency concerns plaguing the current generation of AVs.

33 ADVANCED PROPULSION SYSTEMS↗

NASA/SPAN and DOE/ESnet-DECnet transition strategy for DECnet OSI/phase 5

The technical issues are examined involved with the transition of very large DECnet networks from DECnet phase IV protocols to DECnet OSI/Phase V protocols. The networks involved are the NASA's Science Internet (NSI-DECnet) and the DOE's Energy Science network (ESnet-DECnet). These networks, along with the many universities and research institutions connected to them, combine to form a single DECnet network containing more than 20,000 transitions and crossing numerous organizational boundaries. Discussion of transition planning, including decisions about Phase V naming, addressing, and routing are presented. Also discussed are transition issues related to the use of non-DEC routers in the network.

Porter, Linda↗

Multiple-Ring Digital Communication Network

Optical-fiber digital communication network to support data-acquisition and control functions of electric-power-distribution networks. Optical-fiber links of communication network follow power-distribution routes. Since fiber crosses open power switches, communication network includes multiple interconnected loops with occasional spurs. At each intersection node is needed. Nodes of communication network include power-distribution substations and power-controlling units. In addition to serving data acquisition and control functions, each node acts as repeater, passing on messages to next node(s). Multiple-ring communication network operates on new AbNET protocol and features fiber-optic communication.

Kirkham, Harold↗

Covalent Organic Frameworks with Irreversible Linkages via Reductive Cyclization of Imines

Covalent organic frameworks (COFs) show great potential for many advanced applications on account of their structural uniqueness. To address the synthetic challenges, facile chemical routes to engineer the porosity, crystallinity, and functionality of COFs are highly sought after. Herein, we report a synthetic approach that employs the Cadogan reaction to introduce nitrogen-containing heterocycles as the linkages in the framework. Irreversible indazole and benzimidazolylidene (BIY) linkages are introduced into COFs for the first time via phosphine-induced reductive cyclization of the common imine linkages following either stepwise or one-pot reaction protocols. Further, the successful linkage transformation introduces new functionalities, as demonstrated in the case of BIY-COF, which displays excellent intrinsic proton conductivity without the need of impregnation with external proton transfer reagents. Such a general strategy will open the window to a broader class of functional porous crystalline materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental Evaluation of an Integrated Datalink and Automation-Based Strategic Trajectory Concept

This paper presents research on the interoperability of trajectory-based automation concepts and technologies with modern Flight Management Systems and datalink communication available on many of today s commercial aircraft. A tight integration of trajectory-based ground automation systems with the aircraft Flight Management System through datalink will enable mid-term and far-term benefits from trajectory-based automation methods. A two-way datalink connection between the trajectory-based automation resident in the Center/TRACON Automation System and the Future Air Navigation System-1 integrated FMS/datalink in NASA Ames B747-400 Level D simulator has been established and extensive simulation of the use of datalink messages to generate strategic trajectories completed. A strategic trajectory is defined as an aircraft deviation needed to solve a conflict or honor a route request and then merge the aircraft back to its nominal preferred trajectory using a single continuous trajectory clearance. Engineers on the ground side of the datalink generated lateral and vertical trajectory clearances and transmitted them to the Flight Management System of the 747; the airborne automation then flew the new trajectory without human intervention, requiring the flight crew only to review and to accept the trajectory. This simulation established the protocols needed for a significant majority of the trajectory change types required to solve a traffic conflict or deviate around weather. This demonstration provides a basis for understanding the requirements for integration of trajectory-based automation with current Flight Management Systems and datalink to support future National Airspace System operations.

Mueller, Eric↗

NeuDiff Agent: a governed AI workflow for single-crystal neutron crystallography

Large-scale facilities increasingly face analysis and reporting latency as a limiting step in scientific throughput, particularly for structural studies that require iterative reduction, integration, refinement and validation. To improve the time to result and analysis efficiency, NeuDiff Agent is introduced as a governed, tool-using AI workflow for TOPAZ at the Spallation Neutron Source. NeuDiff Agent takes instrument data through reduction, integration, refinement and validation to a validated crystal structure and a publication-ready CIF. NeuDiff Agent coordinates established crystallographic tools under explicit governance by restricting actions to allowlisted tools, enforcing fail-closed verification gates at key workflow boundaries, and capturing complete provenance for inspection, auditing and controlled replay. The present benchmark is limited to structural crystallography for periodic structures; magnetic structure analysis and incommensurate or superspace refinement are outside the scope of the current workflow. Performance is assessed using a fixed prompt protocol and repeated end-to-end runs with two large language model backends, with user and machine time partitioned and intervention burden and recovery behaviors quantified under gating. In a reference-case benchmark, NeuDiff Agent reduces wall time from 435 min (manual) to 86.5 ± 4.7 to 94.4 ± 3.5 min (4.6–5.0× faster) while producing a validated CIF with no checkCIF level A or B alerts. These results establish a practical route to deploy agentic AI in facility crystallography while preserving traceability and publication-facing validation requirements.

Xiao, Zhongcan [ORNL] (ORCID:0000000220761961)↗

A Mathematical Analysis of an Example Delay Tolerant Network using the Theory of Sheaves

NASA’s High-Data Rate Architecture (HiDRA) project is working towards a general yet practical toolkit and knowledge base to help usher in the era of new technologies for space systems communications, such as optical links. The High-Rate Delay Tolerant Networking (HDTN) implementation falls under the umbrellas of both the toolkit and the knowledge base, as its advancements illuminate more general areas of Delay Tolerant Networking (DTN) that need growth. The goal of this paper is to explore the usage of particular mathematical machineries, namely temporal flow networks and sheaves, to identify fundamental, underlying structures in DTN for space systems. Satellites, space assets, ground stations, etc. give rise to a disconnected network, and it is the goal of DTN to glue disparate links together into a cohesive system, that is, a network. Depending on a given link, the latencies might be beyond that which the Transmission Control Protocol (TCP) can handle, and contact times might have one-way light times in excess of minute (sometimes significantly longer). Some links might be periodic (say, due to orbital mechanics) or they might not be. This diversity has made it difficult to probe the underlying structure. An immediate consequence is that DTNs in practice today are controlled by globally distributed contact plans (schedules), which are the input to the contact graph routing (CGR) algorithm. While this is effective for smaller networks, it will be very difficult to scale for future networks. Deeper and more rigorous theory is needed to bring DTN to the next evolutionary step. To this end, this paper introduces and suggests a mathematical framework for DTN, and applies it to a space network that is simulated using an orbital analysis toolkit. The tag-line for the structure known as sheaves is that they are the mathematically precise way of gluing local data together into unique, global data. If we consider routing, we see that networking is a “sheafy” science. We then discuss a simplified sheaf model, known as the cellular sheaf. The sheaf-theoretic analysis is presented and discussed, as it is hoped that this and related papers will help form the primordial ooze of DTN theory. Finally there is a section of future work suggesting follow-on research.

Delay Tolerant Networking↗

Reliable p K a Prediction through Efficient Incorporation of Anharmonicity within the Nuclear–Electronic Orbital Framework

Accurate pK a prediction is critical for understanding chemical reactivity and molecular properties across a wide range of applications. Computational approaches usually invoke a harmonic treatment of the vibrational modes for zero-point energies, as well as thermal and entropic contributions. Herein, we present a general protocol for relative pK a prediction that incorporates the significant anharmonic effects using nuclear–electronic orbital (NEO) theory. This protocol is validated against experimental data for a range of molecules in acetonitrile, including protonated nitrogen bases, nitrophenols, anilines, and diamines, as well as cobalt electrocatalysts. For simple acids, the NEO approach offers only a slight improvement over conventional density functional theory with the standard harmonic vibrational treatment, whereas for hydrogen-bonded acids, the NEO approach offers more significantly improved performance at a comparable computational cost. This accessible methodology provides a practical route for accurate pKa prediction in challenging systems and is extendable to related thermodynamic properties such as hydricities and proton-coupled redox potentials.

Density functional theory↗