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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Virtual texture analysis to investigate the deformation mechanisms in metal microstructures at the atomic scale

Understanding the deformation behavior of metallic materials at high strain rates requires the characterization of plasticity contributors such as twins, phase transformed regions, and dislocations. However, predicting the contributions from phase transformation and twinning relies on a complete understanding of the selection of variants for various loading orientations and the evolution of their volume fractions. This manuscript presents a new virtual texture (VirTex) analysis approach to characterize phase transformation and twinning variants in deformed microstructures generated using molecular dynamics (MD) simulations. Furthermore, the VirTex method involves the construction of a rotation matrix to calculate the angle/axis pairs and misorientation angles for each atom in the microstructure. Any changes in the orientation angle from angle/axis pairs and/or structure types are analyzed to determine the nucleation and evolution of variants in the microstructure. The study uses shock deformed single-crystal Fe, Ta, and Cu to analyze the variant selections for phase transformation or twinning or both in BCC and FCC systems. In addition, the VirTex analysis is able to characterize the phase transformation and twinning variants in nanocrystalline Fe and Ta microstructures. Besides characterizing variants, orientation mapping also provides an accelerated and on-the-fly approach for quantifying twin fractions in MD microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Augmented and Virtual Reality Navigation for Interventions in the Musculoskeletal System

Purpose of Review: Augmented reality (AR) and virtual reality (VR) are cutting-edge technologies that offer advanced navigational solutions. These systems are just starting to be used in interventional radiology and the literature has been limited to pre-clinical and translational experiments. In this paper, we present a review of AR and VR for musculoskeletal interventions. Recent Findings: Mixed reality systems have evolved from costly research systems to fully commercialized clinical instruments designed to facilitate operators in navigating complex anatomy. Studies within interventional radiology have demonstrated safety, improved accuracy, and decreased exposure to ionizing radiation. Summary: We review the progression of mixed reality systems from their early origins in computer science through their current day surgical applications, with a special focus on landmark studies within radiologic interventions for the musculoskeletal system. We highlight the instrumentation, clinical workflow, benefits and drawbacks, and suggested future directions for the two main AR systems: head-mounted display and image-overlay.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2012

Classical geometry to quantum behavior correspondence in a virtual extra dimension

In the Lorentz invariant formalism of compact space-time dimensions the assumption of periodic boundary conditions represents a consistent semi-classical quantization condition for relativistic fields. In Dolce (2011) we have shown, for instance, that the ordinary Feynman path integral is obtained from the interference between the classical paths with different winding numbers associated with the cyclic dynamics of the field solutions. By means of the boundary conditions, the kinematical information of interactions can be encoded on the relativistic geometrodynamics of the boundary, see Dolce (2012) . Furthermore, such a purely four-dimensional theory is manifestly dual to an extra-dimensional field theory. The resulting correspondence between extra-dimensional geometrodynamics and ordinary quantum behavior can be interpreted in terms of AdS/CFT correspondence. By applying this approach to a simple Quark-Gluon-Plasma freeze-out model we obtain fundamental analogies with basic aspects of AdS/QCD phenomenology. - Highlights: Black-Right-Pointing-Pointer Quantum behavior is related to the intrinsic periodicity of isolated systems. Black-Right-Pointing-Pointer A periodic phenomenon can be parameterized by a virtual extra dimension. Black-Right-Pointing-Pointer KK modes are used to describe the quantum excitations. Black-Right-Pointing-Pointer 5D classical geometry encodes 4D quantum behavior. Black-Right-Pointing-Pointer Geometrodynamical description of AdS/QCD as modulation of space-time periodicity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Virtual refrigerant charge sensor for variable-speed heat pumps based on feature selection

The refrigerant charge level in heat pump systems significantly impacts their energy efficiency. Virtual refrigerant charge (VRC) sensing technology has been comprehensively investigated and well-established due to its lower cost compared to physical sensors. However, the previous VRC research often relied on expert judgment and physical reasoning for their variable selection, which can potentially select redundant (or highly correlated) or insignificant features, and it is also primarily focused on single-speed systems. To address these challenges, this study proposes a VRC algorithm for variable-speed heat pumps that selects features through a rigorous feature selection method in combination with physical insights. We also propose a piecewise linear model structure segmented by subcooling temperature to accurately predict charge levels, particularly when subcooling temperatures are substantially low. The proposed algorithm was evaluated using experimental data of a residential R410A heat pump, and the performance was compared with two baseline VRC algorithms. The results are: (1) The proposed algorithm outperforms for the case with subcooling temperature less than 1 °C. (2) The proposed algorithm achieves a tested mean absolute percentage error (MAPE) of 4.23%, and improves the overall accuracy for cooling conditions by approximately 60%, compared with the two baseline algorithms. (3) The proposed algorithm uses two fewer features and improves the accuracy for undercharge cooling conditions by 68.0%, compared with baseline algorithm 2. These improvements enhance prediction accuracy and prevent overfitting, providing a more reliable refrigerant charge level prediction and helping improve the heat pump energy efficiency.

Liang, Chenjiyu↗
DOE OSTI2026

Virtual refrigerant charge sensing algorithm for residential CO₂ heat pumps

Natural refrigerants are increasingly adopted in next-generation heat pump systems, among which CO₂ heat pumps have attracted significant attention. However, due to their high operating pressures, the leakage risk is higher, resulting in undercharge conditions and degraded heat pump performance. Thus, developing an accurate refrigerant charge level detection technique is necessary to guarantee safe and efficient operation. Although virtual refrigerant charge (VRC) level calculation algorithms for CO₂ heat pumps exist, they typically rely on empirically selected features without a systematic selection framework, leading to multicollinearity and potential overfitting, which limit their prediction accuracy and generalizability. To address these issues, this study proposes a VRC algorithm framework with a systematic feature selection method that identifies physically meaningful and statistically significant features, and is applied using a residential CO₂ heat pump as a case study. The method is extended from previous work on conventional refrigerants to account for charge behavior in CO₂ gas coolers. The selected features include gas cooler outlet density, evaporator pressure, and superheat temperature. The results demonstrate that the proposed feature selection method significantly improves prediction accuracy compared to existing VRC approaches. A relatively small training dataset (∼30 samples) is sufficient for feature identification and model development. The developed algorithm achieves less than 3% prediction error under both undercharge and overcharge conditions, representing reductions of 46.7% and 35.3% compared to two recent reference VRC algorithms for transcritical CO₂ heat pumps reported in the literature. The proposed algorithm and feature selection method enhance leakage detection capability, facilitate the deployment of CO₂ heat pump systems, and contribute to reduced energy waste and maintenance costs.

Guo, Fangzhou [Lawrence Berkeley National Laborato↗
DOE OSTI2024

Virtual texture analysis to understand microstructure effects on deformation twinning and detwinning behavior in BCC metals

Understanding and predicting deformation twinning contributions to plastic deformation in BCC metals has been a long-standing challenge due to the interplay with dislocation slip and non-Schmid effects that render an asymmetry under tension and compression. This paper uses molecular dynamics simulations to understand the effect of unloading and grain orientation on deformation twinning in a nanocrystalline Fe (nc-Fe) system as a model BCC metal. The nc-Fe system is loaded under uniaxial stress tension and compression to understand the effect of grain orientation (Schmid effects) on deformation twinning behavior and the tension/compression asymmetry (non-Schmid effects). A new virtual texture analysis “VirTex” tool is used to understand the role of grain orientation on the nucleation of twins and their contributions to the observed stress–strain response. For certain grain orientations, the twinnability is observed to be different in tension and compression. In addition, the flow stress accommodation from twins in certain grains is observed to be different in tension and compression and different from that for the grains. Subsequent unloading leads to detwinning in the deformed microstructures, where the extent of detwinning depends on the strain from which the system is unloaded and on the morphology of the twin. Lastly, the simulations are carried out to analyze the role of the Schmid factor on the twinnability and asymmetry in tension and compression.

Kannan, Aadhithyan [University of Connecticut, Sto↗
DOE OSTI2018

Absorption of wireless radiation in the child versus adult brain and eye from cell phone conversation or virtual reality

Highlights: • More cell phone radiation is absorbed by children's inner brain tissues than adults’. • Children's radiofrequency radiation exposure should be reduced. • Further research to evaluate the risks to the eye from use of VR is urgently needed. • It is biologically relevant and feasible to reduce the standards’ averaging volume. • Current methods to determine wireless device compliance should be revised. Children's brains are more susceptible to hazardous exposures, and are thought to absorb higher doses of radiation from cell phones in some regions of the brain. Globally the numbers and applications of wireless devices are increasing rapidly, but since 1997 safety testing has relied on a large, homogenous, adult male head phantom to simulate exposures; the “Standard Anthropomorphic Mannequin” (SAM) is used to estimate only whether tissue temperature will be increased by more than 1 Celsius degree in the periphery. The present work employs anatomically based modeling currently used to set standards for surgical and medical devices, that incorporates heterogeneous characteristics of age and anatomy. Modeling of a cell phone held to the ear, or of virtual reality devices in front of the eyes, reveals that young eyes and brains absorb substantially higher local radiation doses than adults’. Age-specific simulations indicate the need to apply refined methods for regulatory compliance testing; and for public education regarding manufacturers' advice to keep phones off the body, and prudent use to limit exposures, particularly to protect the young.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Adaptation of virtual synchronous generators to dynamic conditions in power grids

Virtual synchronous generators (VSGs) are widely adopted as grid-forming controls for inverter-based resources. However, when grid conditions vary significantly as characterized by changes in short-circuit ratio (SCR) and the reactance-to-resistance (X/R) ratio, fixed-gain designs and the commonly used P–Q decoupling assumption can become inaccurate. Such conditions can degrade transient power performance, leading to oscillations, prolonged settling, and overshoot, particularly in stiff-grid operating points. This paper quantifies how grid strength and impedance-dependent coupling affect the active–reactive power dynamics of a conventional VSG over a broad range of SCR and X/R values. An adaptive VSG tuning framework is then developed by combining (i) a coupling-explicit, impedance-parameterized state-space model to enable systematic controller synthesis, (ii) a full-state-feedback law designed via pole placement to meet prescribed damping and settling-time specifications, and (iii) a physics-informed neural network (PINN)–based online grid-impedance estimator that updates controller gains in real time as grid conditions vary. Offline simulations in MATLAB/Simulink and real-time validation on an OPAL-RT platform show that the proposed method preserves consistent damping and settling behavior with reduced overshoot across wide SCR and X/R ranges, compared with fixed-gain VSG baselines.

Adaptive control↗
DOE OSTI2023

Virtual prototyping of liquid metal blanket performance in fusion pilot plant

Liquid metal blanket is a dominant design option for the next step fusion devices responsible for harvesting energy from fusion reaction, and simultaneously producing fuel for the same reaction through tritium breeding. Liquid metal blankets introduce additional complexity to the design due to fluid motion, fluid structure interaction, and magnetohydrodynamic (MHD) effects arising from the motion of the conducting fluid through the magnetic field. They are also directly affected by the plasma heat flux and neutronic fluence. PPPL is currently developing a virtual prototyping system for numerical analysis of the liquid metal blankets for future fusion devices. The system has a customized 3D computational fluid dynamics (CFD) code in its core, allowing MHD flow and conjugate heat transfer analysis in blankets fluids and solids. The code was successfully used before for dual coolant blanket analysis [A. Khodak et al., Fusion Eng. and Des. 137 (2018)]. Recently the same code was modified to allow verified simulation of MHD flows at high Hartmann numbers of several thousand typical for blanket applications. CFD code receives volumetric heat source distribution from the neutronic analysis based on MCNP code. In addition, direct tritium breeding simulation will be performed allowing optimization of the blanket performance. 2D axisymmetric version of neutronics code will be used for rapid optimization, with 3D version employed for detailed analysis. The surface heat distribution on the plasma facing wall will be defined by the software HEAT allowing 3D modeling of the heat flux based on the magnetic field distribution including gyro-orbit effects. Results of thermal analysis are imported into structural analysis code also included in the system. Finally, direct import of CAD geometry will be used for analyzing all components and as a result design option can be efficiently optimized.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Parallel quantum computing simulations via quantum accelerator platform virtualization

Quantum circuit execution is a central task in quantum computation. Due to inherent quantum-mechanical constraints, quantum computing workflows often involve a considerable number of independent measurements over a large set of slightly different quantum circuits. Here we discuss a simple model for parallelizing such quantum circuit executions that is based on introducing a large array of virtual quantum processing units (mapped to HPC nodes in our case) as a parallel quantum computing platform. Implemented within the XACC framework, the model can readily take advantage of its backend-agnostic features, enabling parallel quantum computing/simulation over any target backend supported by XACC. We illustrate the performance of this approach by demonstrating strong scaling in two pertinent domain science problems, namely in computing the gradients for the multi-contracted variational quantum eigensolver and in data-driven quantum circuit learning, where we vary the number of qubits and the number of circuit layers. Here, the latter simulation leverages the cuQuantum library to run efficiently on GPU-accelerated HPC platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Virtual Bronchoscopy-Guided Treatment Planning to Map and Mitigate Radiation-Induced Airway Injury in Lung SAbR

Radiation injury to the bronchial tree is an important yet poorly understood potential side effect in lung stereotactic ablative radiation therapy (SAbR). We investigate the integration of virtual bronchoscopy in radiation therapy planning to quantify dosage to individual airways. We develop a risk model of airway collapse and develop treatment plans that reduce the risk of radiation-induced airway injury.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Optimal high-throughput virtual screening pipeline for efficient selection of redox-active organic materials

As global interest in renewable energy continues to increase, there has been a pressing need for developing novel energy storage devices based on organic electrode materials that can overcome the shortcomings of the current lithium-ion batteries. One critical challenge for this quest is to find materials whose redox potential (RP) meets specific design targets. In this study, we propose a computational framework for addressing this challenge through the effective design and optimal operation of a high-throughput virtual screening (HTVS) pipeline that enables rapid screening of organic materials that satisfy the desired criteria. Starting from a high-fidelity model for estimating the RP of a given material, we show how a set of surrogate models with different accuracy and complexity may be designed to construct a highly accurate and efficient HTVS pipeline. We demonstrate that the proposed HTVS pipeline construction and operation strategies substantially enhance the overall screening throughput.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Radiation Therapy Patient Education Review and a Case Study Using the Virtual Environment for Radiotherapy Training System

The emergence of modern learning environments for radiation therapy (RT) education offers innovative opportunities for RT patients. This article presents a descriptive review of the current state of practice for two recently available tools, the “Virtual Environment for Radiotherapy Training” (VERT) and the “Patient Education And Radiotherapy Learning” (PEARL) systems. Subsequently, a case study summarizes the instructional design and development of an RT breast cancer patient education program, with the intention of providing a blueprint for further patient education initiatives that incorporate VERT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Editorial for the Virtual Special Issue of Journal of Power Sources “Low temperature fuel cells and electrolysers” - Science and engineering: Let's play this game hand in hand!

Electrochemistry is already and will increasingly be amongst the major drivers of our energetic mix decarbonization, so to fight anthropogenic global warming. The hydrogen economy vector (ideally produced in water electrolysers using renewable electricity and transformed back into electricity in fuel cells), in parallel with the conversion of carbon dioxide and nitrogen gas into value-added products are seen as pillars of the so-called green and sustainable Energy Revolution. The hydrogen technologies presently attract increasing interest, their momentum growing irremediably in Europe, Asia and Americas. Here, this Virtual Special Issue (VSI) gathers the latest scientific results of major research laboratories worldwide, all addressing various aspects of electrochemical energy and material conversion processes.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2011

Weekly Verification of Dosimetric Data for Virtual Wedge Using a 2D Diode Detector Array

A linac manufacturer has recommended that users measure virtual wedge (VW) angle and VW factor as a weekly quality assurance (QA) procedure. The purpose of this study was to investigate whether a 2D diode detector array (MapCHECK{sup TM}) is a useful tool for the verification of dosimetric data for VW. Measurements were performed on 2 linear accelerators (4, 6, and 10 MV) at 10-cm depth for a field size of 10 x 10 cm{sup 2} and with wedge angles of 15, 30, 45, and 60{sup o}. To verify the VW dose distributions generated by the treatment planning system (TPS), we confirmed that agreement between TPS data and measurements were {<=}2% dose difference or 2-mm distance-to-agreement based on American Association of Physicists in Medicine Task Group Report 53 (AAPM TG-53). We present here the results of a 1-year evaluation of VW by means of a 2D diode detector array. The maximum 2-fold standard deviation of the measured wedge angle turned out to be within 1.0, and all measured VW factors to be 1.00 {+-} 0.03. Although >95% of the points measured for 6 and 10 MV were generally within the tolerance of the dose distribution as mentioned above, the percentage of agreement between the measured data for 4 MV and TPS data were somewhat below 90%. We also verified generally good reproducibility for the dose distribution. The 2-D diode detector array was thus found to be useful as a tool for weekly VW QA.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

3x3 array module of 8×8×32 mm 3 position-sensitive virtual frisch-grid CdZnTe detectors for imaging and spectroscopy of cosmic gamma-rays

Here, we evaluated the performance of the 3x3 array of 32-mm long position-sensitive virtual Frisch-grid (VFG) CdZnTe (CZT) detectors read out by the IDEAS GDS-100 data acquisition system. The array is a mechanically solid module designed for integration into a large effective area gamma-ray telescope proposed for imaging and spectroscopy of cosmic gamma-rays. The array employs the bar-shaped 8x8x32 mm 3 CZT crystals which recently became available from Redlen Technologies, Inc. and Kromek-eV Group PLC at affordable costs. The waveform sampling IDE3421 application-specific integrated circuit (ASIC), developed by the University of Michigan and IDEAS for CZT pixel detectors, was adapted to capture the signals from the array's VFG detectors. We showed good spectral performance of the Redlen detectors with an energy resolution of <1% FWHM at 662 keV and slightly poorer performance of the Kromek-eV detectors with a resolution of <2% measured at a reduced temperature of 13 °C. By testing the same detectors as single devices using hybrid charge-sensitive preamplifiers, we demonstrated improved energy resolutions at a normal temperature of ~25°C: <1% and 1.3-1.7%, respectively. However, the Kromek-eV detectors did not perform as well as the Redlen ones. We explained this by the space charge formation (polarization) decreasing the electric field and the electron drift times. The polarization was likely caused by the high injections of holes from the anode contacts. The absence of polarization in Redlen detectors suggested that the quality of the contacts might have played a role in this case.

47 OTHER INSTRUMENTATION↗