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DOE OSTI2023

Adjoint Waveform Tomography for Crustal and Upper Mantle Structure the Middle East and Southwest Asia for Improved Waveform Simulations Using Openly Available Broadband Data

We present a new model of radially anisotropic seismic wavespeeds for the crust and upper mantle of a broad region of the Middle East and Southwest Asia (MESWA) derived from adjoint waveform tomography. We inverted waveforms from 192 Global Centroid Moment Tensor earthquakes (MW 5.5-7.0) recorded by over 1000 openly available broadband seismic stations from permanent and temporary networks in the region. Spatial coverage of the available data is highly uneven due to earthquakes clustered along plate boundaries and sparse coverage of open seismic networks in the region. We considered three possible starting models: the SPiRaL global model (Simmons et al., 2021); MEC-1 (Kaviani et al., 2020); and CSEM2.0 (Noe et al., 2023). Because the SPiRaL model provides good fits to the observed waveforms measured by the time-bandwidth product of selected windows in several period bands, provides all the necessary parameters and covers the entire domain we used it for the starting model with the period band 50-100 seconds. Inversion iterations proceeded using time-frequency phase misfits in six stages and 54 total iterations reducing the minimum period to 30 seconds. Our final model, MESWA, provides improved waveform fits compared to the starting model for both the data used in the inversion and an independent validation data set of 66 events. Two metrics of waveform fit (the time-frequency phase misfit used in the optimization and normalized L2 misfit) were both reduced by nearly 60% for both data sets and MESWA provides significantly larger misfit reductions relative to the SPiRaL model than the MEC-1 or CSEM models. We also find that MESWA provides a larger time-bandwidth product of selected windows indicating that more information content of the observed waveforms is explained by MESWA than the other models. Our new model reveals tectonic features imaged by other studies and methods but in a new holistic model of shear and compressional wavespeeds (v S and v P , respectively) with anisotropy covering the crust and uppermost mantle of a larger domain. MESWA has smaller scale-length features and tends to sharpen some features relative to the SPiRaL starting model. Examples include: low crustal v S in the TurkishIranian Plateau, Zagros Mountains, Afghan Central Blocks and Sulaiman Fold Belt; low mantle vSfollowing divergent (Gulf of Aden, Red Sea) and transform (Dead Sea Fault) margins of the Arabian Plate; low and high v S in the mantle beneath the Arabian Shield and Platform, respectively. Low vS is imaged below Cenozoic volcanic centers of the Arabian Peninsula, the so-called Mecca-Madina-Nafud (MMN) Line. Positive anisotropy (v SH > v SV ) is inferred for asthenospheric depths across the region except where up/downwelling may influence fabric alignment (e.g. Afar, Red Sea, Arabian Shield). Elevated vS tracks Makran subduction under southeast Iran. MESWA resembles the SPiRaL model in its long-wavelength structure, but enhances shorter wavelengths features on the order of 200 km and smaller. The resulting model could be used for as a starting model for further improvements, say using waveforms from in-country seismic networks that are not openly available or smaller-scale studies targeting shorter period waveforms. The model also could be used for source characterization and moment tensor inversion to improve earthquake hazard studies and nuclear explosion monitoring.

58 GEOSCIENCES↗

DOE OSTI2019

Checkpoint-Restart and Platform Design Criteria

Long computations often use checkpoint/restart to survive the inevitable failures. Optimal checkpoint/restart strategy can be derived in terms of special functions, and approximated within the regime of interest. As a further step under nominal assumptions, platforms can be optimized for maximum progress rate, computed in terms of non-dimensional parameter JMTTI/Delta, where JMTTI is the Job Mean Time To Interrupt and Delta is the time it takes to write (or read) a checkpoint. Scaling to a larger platform of the same technology requires scaling checkpoint bandwidth quadratically to maintain the same progress rate. This was observed during the design of LANL’s Roadrunner in 2007, led to burst buffers proposed in 2009 and introduced on Trinity in 2015. The need to compute reliably continues to impact the design of future exascale platforms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

FTLADS: Object-Logging Based Fault-Tolerant Big Data Transfer System Using Layout Aware Data Scheduling

The layout-aware data scheduling (LADS) data movement framework optimizes congestion for end-to-end data transfers. During data transfer, LADS can avoid congested storage elements by exploiting the underlying storage layout at each endpoint. This improves the I/O bandwidth and hence the data transfer rate across high-speed networks. However, the absence of fault tolerance (FT) in LADS results in data retransmission overhead and may lead to possible data integrity issues upon faults. In this paper, we propose object-logging FT mechanisms to avoid transmitting the objects that are successfully written into the parallel file system (PFS) at the sink end. Depending on the number of log files created for the whole dataset, we have classified our FT mechanisms into three different categories: file logger, transaction logger, and universal logger. Also, to address the space overhead, we have proposed different methods of populating the log files with the information of the successfully transferred objects. We have evaluated the data transfer performance and recovery time overhead of the proposed object-logging-based FT mechanisms on the LADS data transfer framework. Our experimental results reflect that FT mechanisms exhibit negligible overhead (<; 1%) with respect to the data transfer time. Yet, the fault recovery time is 10% higher than the total data transfer time at any fault point.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

10-Gb/s Distributed Amplifier-Based VCSEL Driver IC With ESD Protection in 130-nm CMOS

Here, this paper presents a low-power 10-Gb/s vertical cavity surface emitting laser (VCSEL) driver integrated circuit (IC) with electrostatic discharge (ESD) protection in the 130-nm CMOS technology. A distributed amplifier (DA)-based modulator is proposed to boost the driver bandwidth. It employs artificial transmission lines to cancel the device parasitic capacitances of the driver. A distributed ESD protection technique is applied to equalize the group delay of the DA to optimize the jitter performance. To minimize the silicon area, the optimal number of DA taps in the proposed modulator has been derived. To compensate for the capacitive load and the channel losses at the output of the driver, a frequency-domain preemphasis scheme is proposed. The proposed DA modulator occupies an area of 0.69 mm 2 , and the entire driver IC has a die size of 2 mm×2 mm, including the pads. Both electrical and optical tests have been carried out to characterize the performance of the proposed VCSEL driver IC. Measurements at a data rate of 10-Gb/s demonstrate a typical power consumption of 85 mW under a single 2.5 V supply voltage (49 mW, if separate 1.2 and 2.5 V supplies are used) and an rms jitter of 0.63 and 1.12 ps for the electrical test and optical test, respectively.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

Beyond 100 Gb/s: Capacity, Flexibility, and Network Optimization

Here, we discuss building blocks that enable the exploitation of optical capacities beyond 100 Gb/s. Optical networks will benefit from more flexibility and agility in their network elements, especially from coherent transceivers. To achieve capacities of 400 Gb/s and more, coherent transceivers will operate at higher symbol rates. This will be made possible with higher bandwidth components using new electro-optic technologies implemented with indium phosphide and silicon photonics. Digital signal processing will benefit from new algorithms. Multi-dimensional modulation, of which some formats are already in existence in current flexible coherent transceivers, will provide improved tolerance to noise and fiber nonlinearities. Constellation shaping will further improve these tolerances while allowing a finer granularity in the selection of capacity. Frequency-division multiplexing will also provide improved tolerance to the nonlinear characteristics of fibers. Algorithms with reduced computation complexity will allow the implementation, at speeds, of direct pre-compensation of nonlinear propagation effects. Advancement in forward error correction will shrink the performance gap with Shannon's limit. At the network control and management level, new tools are being developed to achieve a more efficient utilization of networks. This will also allow for network virtualization, orchestration, and management. Lastly, FlexEthernet and FlexOTN will be put in place to allow network operators to optimize capacity in their optical transport networks without manual changes to the client hardware.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

The Persistent Challenge of Data Locality in the Post-Exascale Era

The era of exascale computing, exemplified by systems like Frontier achieving exaflop-level performance, marks a milestone. However, the quest for sheer compute power leads to strong imbalance in system design. Hence, scaling advancements in memory, network bandwidth, and storage are also necessary and pose challenges, with a crucial need to address data locality issues. This article underscores the fundamental importance of data locality as a key abstraction for optimizing application performance. Despite notable software solutions, the growing complexity of parallelism and memory hierarchy demands performance-portable data locality solutions across diverse computing platforms. Additionally, the article revisits data locality aspects, covering hardware considerations, application perspectives, software stack abstractions, and tool support. It concludes with insights into data locality challenges and opportunities, emphasizing the ongoing significance of collaborative research for progress in this critical issue.

Unat, Didem [Koc University, Istanbul (Turkey)] (O↗

DOE OSTI2024

New limit on dark photon kinetic mixing in the 0.2 – 1.2 μ eV mass range from the Dark E-field Radio experiment

We report new limits on the kinetic mixing strength of the dark photon spanning the mass range 0.21 − 1.24 μ eV corresponding to a frequency span of 50–300 MHz. The Dark E-field Radio experiment is a wideband search for dark photon dark matter. In this paper we detail changes in calibration and upgrades since our proof-of-concept pilot run. Our detector employs a wide-bandwidth E-field antenna moved to multiple positions in a shielded room, a low noise amplifier, wideband analog-to-digital converter, followed by a 2 24 -point fast Fourier transform. An optimal filter searches for signals with Q ≈ 10 6 . In nine days of integration, this system is capable of detecting dark photon signals corresponding to a kinetic mixing strength ε several orders of magnitude lower than previous limits. We find a 95% exclusion limit on ε over this mass range between 6 × 10 − 15 and 6 × 10 − 13 , tracking the complex resonant mode structure in the shielded room. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2016

SU-G-IeP1-08: MR Geometric Distortion Dependency On Imaging Sequence, Acquisition Orientation and Receiver Bandwidth of a Dedicated 1.5T MR-Simulator

Purpose: To investigate the 3D geometric distortion of four potential MR sequences for radiotheraptic applications, and its dependency on sequence-type, acquisition-orientation and receiver-bandwidth from a dedicated 1.5T 700mm-wide bore MR-simulator (Magnetom-Aera, Sienmens Healthcare, Erlangen, Germany), using a large customized geometric accuracy phantom. Methods: This work studied 3D gradient-echo (VIBE) and spin-echo (SPACE) sequences for anatomical imaging; a specific ultra-short-TE sequence (PETRA) potentially for bone imaging and MR-based dosimetry; and a motion-insensitive sequence (BLADE) for dynamic applications like 4D-MRI. Integrated geometric-correction was employed, three orthogonal acquisition-orientations and up to three receiver-bandwidths were used, yielding 27 acquisitions for testing (Table 1a).A customized geometric accuracy phantom (polyurethane, MR/CT invisible, W×L×H:55×55×32.5cm3) was constructed and filled with 3892 spherical markers (6mm diameter, MR/CT visible) arranged on a 25mm-interval 3D isotropic-grid (Fig.1). The marker positions in MR images were quantitatively calculated and compared against those in the CT-reference using customized MatLab scripts. Results: The average distortion within various diameter-of-spherical-volumes (DSVs) and the usable DSVs under various distortion limits were measured (Tables 1b-c). It was observed that distortions fluctuated when sequence-type, acquisition-orientation or receiver-bandwidth changed (e.g. within 300mm-DSV, the lowest/highest average distortions of VIBE were 0.40mm/0.59mm, a 47.5% difference). According to AAPM-TG66 (<1mm distortion, left-most column of Table 1c), PETRA (Largest-DSV:253.9mm) has the potential on brain treatment, while BLADE (Largest-DSV:207.2mm) may need improvement for thoracic/abdominal applications. The results of VIBE (Largest-DSVs:294.3mm, the best among tested acquisitions) and SPACE (Largest-DSVs:267.7mm) suggests their potentials on head and neck applications. These Largest-DSVs were attained on different acquisition-orientations and receiver-bandwidths. Conclusion: Geometric distortion was shown to be dependent on sequence-type, acquisition-orientation and receiver-bandwidth. In the experiment, no configuration in any one of these factors could consistently reduce distortion while the others were varying. The distortion analysis result is a valuable guideline for sequence selection and optimization for MR-aided radiotherapy applications.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Non-contact magnetically coupled rectilinear-rotary oscillations to exploit low-frequency broadband energy harvesting with frequency up-conversion

Ambient vibrations have a rectilinear and broadband nature and are particularly rich in the low-frequency regions. This letter reports an electromagnetic energy harvester to transform low-frequency broadband rectilinear vibrations into electricity with frequency up-conversion. The harvester consists of a rectilinear oscillator and a rotary oscillator coupled through magnetic force induced by four arc permanent magnets centrosymmetrically distributed on each oscillator. The rotary oscillator also includes two repulsive magnets and six stationary coils with steel screws inside to obtain and maintain four equilibrium positions with shallowed potential wells. The magnetic interaction between the rectilinear oscillator and the rotary oscillator is formulated using a magnetic dipole model. The restoring torque induced by the steel screws on the rotor is experimentally measured. Magnetically coupled governing equations are derived and their numerical solutions are used to characterize the dynamic response of the harvester under chirp excitations. Experimental results demonstrate its excellent harvesting capability of scavenging low-frequency wideband vibrational energy under slow-frequency-drifted excitations, simple harmonic excitations, and mixed-frequency excitations. Under harmonic excitations, the rectilinear oscillator vibrates non-harmonically but approximately periodically, while the rotary counterpart oscillates in a more complex pattern varying with the excitation frequency, which leads to the frequency up-conversion (up to 10 times increase) and broadened bandwidth (25% increase from its resonant frequency). Experiments show an output voltage of 5 V (RMS)/40 V (Peak to Peak) and an output power of 55 mW (RMS)/950 mW (Peak) at an optimal load of 465 Ω under harmonic excitation of 4 Hz at 0.7 g.

Deng, Wei (ORCID:0000000194598151)↗

DOE OSTI2019

Modelling an electro-optical modulator based on a vertical p – n junction in a silicon-on-insulator structure

We report the results of numerical simulation of a Mach – Zehnder electro-optical modulator using beam splitters based on multimode interference in a silicon-on-insulator structure. The control is provided due to the depletion effect in the vertical p – n junction, which can be fabricated using the self-alignment technology. An optimal modulator design is proposed, which impedance is matched with an external 50-Ω load, for which, with a reverse bias of – 5 V and an active length of 1.7 mm, the optical frequency bandwidth of ∼ 50 GHz can be achieved. A special doping profile of the p – n junction of the modulator is presented, which provides an optical frequency bandwidth of 30 GHz with a reverse bias of –3 V and a modulator length of 2.5 mm. Such modulators can be used in integrated optics, optical communications and radio photonics devices. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Optimizing Non-Terrestrial Hybrid RF/FSO Links With Reinforcement Learning: Navigating Through Clouds

In the pursuit of ubiquitous broadband connectivity, there has been a significant shift towards the vertical expansion of communication networks into space, particularly through the exploitation of low Earth orbit (LEO) satellite constellations, which are favored for their relatively low latency. However, this approach faces many challenges that need to be addressed, including atmospheric turbulence, high path loss, and dynamic cloud formations. High-altitude pseudo-satellites (HAPS) have emerged as promising relaying layers between LEO satellites and ground stations, enhancing coverage, latency, and direct terrestrial user connectivity. While radio frequency (RF) bands suffer from congestion and limited bandwidth, free space optical (FSO) communications offer higher data rates, but are susceptible to misalignment and weather-induced signal degradation. To address these challenges, a hybrid RF/FSO approach has been proposed to take advantage of both technologies by dynamic switching between RF and FSO based on propagation channel conditions. This paper introduces a reinforcement learning-based algorithm designed to optimize the trajectory of HAPS, maneuver around cloudy areas, and seamlessly switch between the RF and FSO communication modes to maximize the achievable capacity. The proposed approach aims to maximize system performance by intelligently adapting to environmental conditions and offering a promising solution for next-generation space communication networks.

actor-critic algorithm↗

DOE OSTI2021

Efficient photoconductive terahertz detection through photon trapping in plasmonic nanocavities

We present a photoconductive terahertz detector that employs a plasmonic nanocavity to offer high-sensitivity and broadband operation when used in a terahertz time-domain spectroscopy system even at very low optical pump power levels. By employing a plasmonic nanocavity, all of the photocarriers are generated within a 100 nm distance from the photoconductor contact electrodes, enabling a short transport time for almost all of the photogenerated carriers. As a result, the photoconductive detector maintains high quantum efficiency and ultrafast operation simultaneously, enabling high-sensitivity and broadband operation at very low optical pump power levels. We utilize a photoconductive detector based on a plasmonic nanocavity optimized for operation at a 770 nm optical wavelength in a terahertz time-domain spectroscopy system and demonstrate a 100 dB signal-to-noise ratio and a 0.1–6 THz noise-equivalent bandwidth at a record-low average optical pump power of 0.1 mW, compared to the state-of-the-art photoconductive terahertz detectors. The extremely low optical power budget of the demonstrated photoconductive detector makes this detector attractive for multi-pixel terahertz imaging systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Smoothing Lexis diagrams using kernel functions: A contemporary approach

Lexis diagrams are rectangular arrays of event rates indexed by age and period. Analysis of Lexis diagrams is a cornerstone of cancer surveillance research. Typically, population-based descriptive studies analyze multiple Lexis diagrams defined by sex, tumor characteristics, race/ethnicity, geographic region, etc. Inevitably the amount of information per Lexis diminishes with increasing stratification. Several methods have been proposed to smooth observed Lexis diagrams up front to clarify salient patterns and improve summary estimates of averages, gradients, and trends. In this article, we develop a novel bivariate kernel-based smoother that incorporates two key innovations. First, for any given kernel, we calculate its singular values decomposition, and select an optimal truncation point—the number of leading singular vectors to retain—based on the bias-corrected Akaike information criterion. Second, we model-average over a panel of candidate kernels with diverse shapes and bandwidths. The truncated model averaging approach is fast, automatic, has excellent performance, and provides a variance-covariance matrix that takes model selection into account. We present an in-depth case study (invasive estrogen receptor-negative breast cancer incidence among non-Hispanic white women in the United States) and simulate operating characteristics for 20 representative cancers. The truncated model averaging approach consistently outperforms any fixed kernel. Our results support the routine use of the truncated model averaging approach in descriptive studies of cancer.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Noise in Intense Electron Bunches (Final Technical Report)

The goal of this project is to investigate density fluctuations in electron bunches. Noise and density fluctuations in relativistic electron bunches, accelerated in a linac, are of critical importance to various Coherent Electron Cooling (CEC) concepts as well as to free-electron lasers (FELs). For CEC, the beam noise results in additional diffusion that counteracts cooling; and if this noise is not controlled at sufficiently low level, the noise heating effects can overcome cooling. There have been several proposals in the past to suppress the noise in the beam in the frequency range of interest in order to optimize the cooling effects. In SASE FELs a microwave instability starts from the initial noise in the beam and eventually leads to the beam microbunching yielding coherent radiation, and the initial noise in the FEL bandwidth plays a useful role. In seeded FELs, in contrast, such noise interferes with the seed signal, so that reducing noise at the initial seed wavelength would lower the seed laser power requirement. Our major goals were (1) to measure the electron beam density noise level in a 0.5 – 10 um wavelength range, (2) to predict the beam noise level in order to compare with the measurements, and (3) as a stretch goal, to find mechanisms that affect the beam noise to control its level in a predictable manner.

43 PARTICLE ACCELERATORS↗

DOE OSTI2019

NAMSA

In NAMSA, we introduce two main solutions to address the limitations of MSA-type algorithms for simulation of electron scattering/microscopy data: just-in-time compilation and work partitioning via MPI and GPU-to-GPU communication. First, the just-in-time (JIT) compilation strategy produces optimally tuned CUDA C++ kernels due to the data layout being perfectly known at runtime and compiled via calls from the Python interpreter. NAMSA automatically optimizes the 2-D FFT planning, and CUDA multi-streams scheduling/launching of probe simulations. With NAMSA, we can simulate electron scattering/microscopy on hundreds to thousands of GPUs, while removing the major limitations of memory and bandwidth from MSA.

Laanait, Nouamane↗

DOE OSTI2017

New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH 2 ) 3 )(CH 3 NH 3 ) n Pb n I 3 n +1 : Structure, Properties, and Photovoltaic Performance

In this study, we present the new homologous series (C(NH 2 ) 3 )(CH 3 NH 3 ) n Pb n I3 n+1 (n = 1, 2, 3) of layered 2D perovskites. Structural characterization by single-crystal X-ray diffraction reveals that these compounds adopt an unprecedented structure type, which is stabilized by the alternating ordering of the guanidinium and methylammonium cations in the interlayer space (ACI). Compared to the more common Ruddlesden–Popper (RP) 2D perovskites, the ACI perovskites have a different stacking motif and adopt a higher crystal symmetry. The higher symmetry of the ACI perovskites is expressed in their physical properties, which show a characteristic decrease of the bandgap with respect to their RP perovskite counterparts with the same perovskite layer thickness (n). The compounds show a monotonic decrease in the optical gap as n increases: E g = 2.27 eV for n = 1 to E g = 1.99 eV for n = 2 and E g = 1.73 eV for n = 3, which show slightly narrower gaps compared to the corresponding RP perovskites. First-principles theoretical electronic structure calculations confirm the experimental optical gap trends suggesting that the ACI perovskites are direct bandgap semiconductors with wide valence and conduction bandwidths. To assess the potential of the ACI perovskites toward solar cell applications, we studied the (C(NH 2 ) 3 )(CH 3 NH 3 ) 3 Pb 3 I 10 (n = 3) compound. Compact thin films from the (C(NH 2 ) 3 )(CH 3 NH 3 ) 3 Pb 3 I 10 compound with excellent surface coverage can be obtained from the antisolvent dripping method. Planar photovoltaic devices from optimized ACI perovskite films yield a power-conversion-efficiency of 7.26% with a high open-circuit voltage of ~1 V and a striking fill factor of ~80%.

14 SOLAR ENERGY↗

DOE OSTI2016

Dynamic Multi-Sensor Multi-Mission Optimal Planning Tool

Remote sensing systems have firmly established a role in providing immense value to commercial industry, scientific exploration, and national security. Continued maturation of sensing technology has reduced the cost of deploying highly-capable sensors while at the same time increased reliance on the information these sensors can provide. The demand for time on these sensors is unlikely to diminish. Coordination of next-generation sensor systems, larger constellations of satellites, unmanned aerial vehicles, ground telescopes, etc. is prohibitively complex for existing heuristics-based scheduling techniques. The project was a two-year collaboration spanning multiple Sandia centers and included a partnership with Texas A&M University. We have developed algorithms and software for collection scheduling, remote sensor field-of-view pointing models, and bandwidth-constrained prioritization of sensor data. Our approach followed best practices from the operations research and computational geometry communities. These models provide several advantages over state of the art techniques. In particular, our approach is more flexible compared to heuristics that tightly couple models and solution techniques. First, our mixed-integer linear models afford a rigorous analysis so that sensor planners can quantitatively describe a schedule relative to the best possible. Optimal or near-optimal schedules can be produced with commercial solvers in operational run-times. These models can be modified and extended to incorporate different scheduling and resource constraints and objective function definitions. Further, we have extended these models to proactively schedule sensors under weather and ad hoc collection uncertainty. This approach stands in contrast to existing deterministic schedulers which assume a single future weather or ad hoc collection scenario. The field-of-view pointing algorithm produces a mosaic with the fewest number of images required to fully cover a region of interest. The bandwidth-constrained algorithms find the highest priority information that can be transmitted. All of these are based on mixed-integer linear programs so that, in the future, collection scheduling, field-of-view, and bandwidth prioritization can be combined into a single problem. Experiments conducted using the developed models, commercial solvers, and benchmark datasets have demonstrated that proactively scheduling against uncertainty regularly and significantly outperforms deterministic schedulers.

47 OTHER INSTRUMENTATION↗

DOE OSTI2016

Fast multipurpose Monte Carlo simulation for proton therapy using multi- and many-core CPU architectures

Purpose: Accuracy in proton therapy treatment planning can be improved using Monte Carlo (MC) simulations. However the long computation time of such methods hinders their use in clinical routine. This work aims to develop a fast multipurpose Monte Carlo simulation tool for proton therapy using massively parallel central processing unit (CPU) architectures. Methods: A new Monte Carlo, called MCsquare (many-core Monte Carlo), has been designed and optimized for the last generation of Intel Xeon processors and Intel Xeon Phi coprocessors. These massively parallel architectures offer the flexibility and the computational power suitable to MC methods. The class-II condensed history algorithm of MCsquare provides a fast and yet accurate method of simulating heavy charged particles such as protons, deuterons, and alphas inside voxelized geometries. Hard ionizations, with energy losses above a user-specified threshold, are simulated individually while soft events are regrouped in a multiple scattering theory. Elastic and inelastic nuclear interactions are sampled from ICRU 63 differential cross sections, thereby allowing for the computation of prompt gamma emission profiles. MCsquare has been benchmarked with the GATE/GEANT4 Monte Carlo application for homogeneous and heterogeneous geometries. Results: Comparisons with GATE/GEANT4 for various geometries show deviations within 2%–1 mm. In spite of the limited memory bandwidth of the coprocessor simulation time is below 25 s for 10{sup 7} primary 200 MeV protons in average soft tissues using all Xeon Phi and CPU resources embedded in a single desktop unit. Conclusions: MCsquare exploits the flexibility of CPU architectures to provide a multipurpose MC simulation tool. Optimized code enables the use of accurate MC calculation within a reasonable computation time, adequate for clinical practice. MCsquare also simulates prompt gamma emission and can thus be used also for in vivo range verification.

60 APPLIED LIFE SCIENCES↗